USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1376 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 69 TYR OH : rot 30:sc= 0.604 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.68 K(o=1.3,f=0.62!) USER MOD Set 2.1: A 22 CYS SG : rot -104:sc= 2.1 USER MOD Set 2.2: A 26 CYS SG : rot 113:sc= -0.768 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -156:sc= -0.054 (180deg=-0.49) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -93:sc= 0.746 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0652 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.916 F(o=-1.8!,f=-0.92) USER MOD Single : A 16 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.12) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 23:sc= -0.0515 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 36 CYS SG : rot 46:sc= -2.09 USER MOD Single : A 37 ASN : amide:sc= -5! C(o=-5!,f=-14!) USER MOD Single : A 38 SER OG : rot 24:sc= 0.764 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.282 K(o=-0.28,f=-0.89) USER MOD Single : A 55 SER OG : rot 56:sc= 0.248 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.12 F(o=-2,f=-1.1) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.01! C(o=-2!,f=-2.8!) USER MOD Single : A 81 SER OG : rot -86:sc= -0.111 USER MOD Single : A 82 CYS SG : rot 32:sc= 0.244 USER MOD Single : A 86 HIS : no HD1:sc= -1.25! C(o=-1.3!,f=-3.2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 15:sc= 0.404! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.05 K(o=-1,f=-2.9!) USER MOD Single : A 100 LYS NZ :NH3+ -157:sc= -0.123 (180deg=-0.817) USER MOD Single : A 104 ASN : amide:sc= -0.342 K(o=-0.34,f=-3.7!) USER MOD Single : A 106 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.18) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot -101:sc= -12.1! USER MOD Single : A 116 SER OG : rot 180:sc= 0.00912 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -2.41! C(o=-3.7!,f=-2.4!) USER MOD Single : A 122 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-2.5!) USER MOD Single : A 127 HIS : no HD1:sc= -0.3 K(o=-0.3,f=-1.5) USER MOD Single : A 128 SER OG : rot 134:sc= -1.36! USER MOD Single : A 129 CYS SG : rot 41:sc= -0.684 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot -150:sc= -0.726 USER MOD Single : A 143 ASN : amide:sc= -0.577 K(o=-0.58,f=-1.4) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN :FLIP amide:sc= -0.353 F(o=-1.1,f=-0.35) USER MOD Single : A 149 TYR OH : rot 165:sc=-0.00329 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 163:sc= -0.025 (180deg=-0.349) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 164:sc= -0.0211 (180deg=-0.315) USER MOD Single : A 166 SER OG : rot 180:sc= -0.407 USER MOD Single : A 170 GLN : amide:sc= -0.0739 K(o=-0.074,f=-1.4!) USER MOD Single : A 171 SER OG : rot -126:sc= -0.609 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.156 -20.179 1.351 1.00 4.50 N ATOM 2 CA SER A 1 17.762 -20.088 -0.007 1.00 4.52 C ATOM 3 C SER A 1 16.829 -19.304 -0.932 1.00 3.57 C ATOM 4 O SER A 1 17.085 -18.164 -1.266 1.00 3.03 O ATOM 5 CB SER A 1 17.966 -21.496 -0.570 1.00 4.81 C ATOM 6 OG SER A 1 18.348 -21.404 -1.936 1.00 5.28 O ATOM 0 H1 SER A 1 17.791 -20.712 1.979 1.00 4.50 H new ATOM 0 H2 SER A 1 17.014 -19.222 1.733 1.00 4.50 H new ATOM 0 H3 SER A 1 16.239 -20.667 1.290 1.00 4.50 H new ATOM 0 HA SER A 1 18.723 -19.578 0.059 1.00 4.52 H new ATOM 0 HB2 SER A 1 18.733 -22.020 -0.000 1.00 4.81 H new ATOM 0 HB3 SER A 1 17.047 -22.075 -0.475 1.00 4.81 H new ATOM 0 HG SER A 1 18.481 -22.304 -2.300 1.00 5.28 H new ATOM 14 N LYS A 2 15.747 -19.903 -1.347 1.00 3.60 N ATOM 15 CA LYS A 2 14.799 -19.191 -2.250 1.00 3.08 C ATOM 16 C LYS A 2 13.905 -18.260 -1.429 1.00 2.11 C ATOM 17 O LYS A 2 13.244 -17.399 -1.978 1.00 2.12 O ATOM 18 CB LYS A 2 13.895 -20.203 -2.955 1.00 3.28 C ATOM 19 CG LYS A 2 14.719 -21.015 -3.956 1.00 3.95 C ATOM 20 CD LYS A 2 13.801 -21.970 -4.721 1.00 4.66 C ATOM 21 CE LYS A 2 14.544 -22.533 -5.933 1.00 5.66 C ATOM 22 NZ LYS A 2 14.720 -21.459 -6.951 1.00 5.96 N ATOM 0 H LYS A 2 15.478 -20.855 -1.100 1.00 3.60 H new ATOM 0 HA LYS A 2 15.376 -18.623 -2.979 1.00 3.08 H new ATOM 0 HB2 LYS A 2 13.435 -20.867 -2.223 1.00 3.28 H new ATOM 0 HB3 LYS A 2 13.085 -19.686 -3.470 1.00 3.28 H new ATOM 0 HG2 LYS A 2 15.226 -20.347 -4.652 1.00 3.95 H new ATOM 0 HG3 LYS A 2 15.492 -21.578 -3.434 1.00 3.95 H new ATOM 0 HD2 LYS A 2 13.480 -22.782 -4.069 1.00 4.66 H new ATOM 0 HD3 LYS A 2 12.902 -21.446 -5.044 1.00 4.66 H new ATOM 0 HE2 LYS A 2 15.515 -22.923 -5.629 1.00 5.66 H new ATOM 0 HE3 LYS A 2 13.986 -23.366 -6.360 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 14.837 -21.888 -7.891 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 13.882 -20.842 -6.953 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 15.563 -20.896 -6.720 1.00 5.96 H new ATOM 36 N THR A 3 13.899 -18.376 -0.125 1.00 1.72 N ATOM 37 CA THR A 3 13.078 -17.450 0.715 1.00 1.18 C ATOM 38 C THR A 3 14.031 -16.391 1.269 1.00 1.02 C ATOM 39 O THR A 3 14.871 -16.695 2.092 1.00 1.63 O ATOM 40 CB THR A 3 12.451 -18.235 1.871 1.00 1.48 C ATOM 41 OG1 THR A 3 11.610 -19.256 1.350 1.00 2.13 O ATOM 42 CG2 THR A 3 11.627 -17.288 2.746 1.00 2.22 C ATOM 0 H THR A 3 14.429 -19.074 0.396 1.00 1.72 H new ATOM 0 HA THR A 3 12.279 -16.990 0.133 1.00 1.18 H new ATOM 0 HB THR A 3 13.240 -18.687 2.472 1.00 1.48 H new ATOM 0 HG1 THR A 3 11.210 -19.759 2.090 1.00 2.13 H new ATOM 0 HG21 THR A 3 11.181 -17.848 3.568 1.00 2.22 H new ATOM 0 HG22 THR A 3 12.274 -16.508 3.147 1.00 2.22 H new ATOM 0 HG23 THR A 3 10.838 -16.833 2.147 1.00 2.22 H new ATOM 50 N GLY A 4 13.940 -15.161 0.845 1.00 0.52 N ATOM 51 CA GLY A 4 14.880 -14.131 1.378 1.00 0.30 C ATOM 52 C GLY A 4 14.708 -12.886 0.505 1.00 0.41 C ATOM 53 O GLY A 4 15.310 -12.753 -0.541 1.00 0.81 O ATOM 0 H GLY A 4 13.263 -14.825 0.160 1.00 0.52 H new ATOM 0 HA2 GLY A 4 14.657 -13.906 2.421 1.00 0.30 H new ATOM 0 HA3 GLY A 4 15.909 -14.490 1.342 1.00 0.30 H new ATOM 57 N GLY A 5 13.864 -11.984 0.933 1.00 0.01 N ATOM 58 CA GLY A 5 13.618 -10.749 0.135 1.00 0.01 C ATOM 59 C GLY A 5 14.774 -9.762 0.308 1.00 0.01 C ATOM 60 O GLY A 5 15.398 -9.694 1.347 1.00 0.01 O ATOM 0 H GLY A 5 13.334 -12.050 1.802 1.00 0.01 H new ATOM 0 HA2 GLY A 5 13.505 -11.006 -0.918 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.684 -10.284 0.451 1.00 0.01 H new ATOM 64 N LYS A 6 15.063 -8.995 -0.711 1.00 0.00 N ATOM 65 CA LYS A 6 16.183 -8.004 -0.619 1.00 0.01 C ATOM 66 C LYS A 6 15.918 -6.831 -1.562 1.00 0.01 C ATOM 67 O LYS A 6 15.471 -7.006 -2.680 1.00 0.00 O ATOM 68 CB LYS A 6 17.509 -8.669 -1.001 1.00 0.02 C ATOM 69 CG LYS A 6 18.675 -7.777 -0.563 1.00 0.02 C ATOM 70 CD LYS A 6 19.957 -8.221 -1.272 1.00 0.02 C ATOM 71 CE LYS A 6 20.288 -9.661 -0.879 1.00 0.02 C ATOM 72 NZ LYS A 6 21.702 -9.960 -1.242 1.00 0.02 N ATOM 0 H LYS A 6 14.573 -9.010 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 6 16.244 -7.641 0.407 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.587 -9.647 -0.526 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.548 -8.834 -2.078 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.458 -6.736 -0.801 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.806 -7.837 0.517 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.831 -8.148 -2.352 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.781 -7.561 -1.002 1.00 0.02 H new ATOM 0 HE2 LYS A 6 20.138 -9.801 0.192 1.00 0.02 H new ATOM 0 HE3 LYS A 6 19.616 -10.352 -1.388 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 21.929 -10.939 -0.975 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 21.830 -9.842 -2.267 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 22.335 -9.308 -0.737 1.00 0.02 H new ATOM 86 N ILE A 7 16.203 -5.630 -1.113 1.00 0.02 N ATOM 87 CA ILE A 7 15.989 -4.416 -1.963 1.00 0.00 C ATOM 88 C ILE A 7 17.256 -3.553 -1.947 1.00 0.02 C ATOM 89 O ILE A 7 17.894 -3.389 -0.923 1.00 0.01 O ATOM 90 CB ILE A 7 14.783 -3.639 -1.435 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.662 -2.309 -2.179 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.956 -3.371 0.057 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.304 -1.670 -1.869 1.00 0.02 C ATOM 0 H ILE A 7 16.579 -5.439 -0.184 1.00 0.02 H new ATOM 0 HA ILE A 7 15.788 -4.707 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 7 13.880 -4.228 -1.595 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.468 -1.639 -1.880 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.763 -2.470 -3.252 1.00 0.02 H new ATOM 0 HG21 ILE A 7 14.094 -2.817 0.429 1.00 0.01 H new ATOM 0 HG22 ILE A 7 15.036 -4.318 0.590 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.861 -2.786 0.219 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.218 -0.722 -2.400 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.505 -2.339 -2.190 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.221 -1.494 -0.796 1.00 0.02 H new ATOM 105 N SER A 8 17.624 -3.000 -3.084 1.00 0.02 N ATOM 106 CA SER A 8 18.851 -2.139 -3.161 1.00 0.02 C ATOM 107 C SER A 8 18.476 -0.738 -3.655 1.00 0.01 C ATOM 108 O SER A 8 17.804 -0.580 -4.653 1.00 0.02 O ATOM 109 CB SER A 8 19.869 -2.753 -4.124 1.00 0.30 C ATOM 110 OG SER A 8 19.944 -4.154 -3.897 1.00 0.39 O ATOM 0 H SER A 8 17.123 -3.110 -3.966 1.00 0.02 H new ATOM 0 HA SER A 8 19.290 -2.072 -2.165 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.577 -2.555 -5.155 1.00 0.30 H new ATOM 0 HB3 SER A 8 20.848 -2.296 -3.977 1.00 0.30 H new ATOM 0 HG SER A 8 20.670 -4.345 -3.266 1.00 0.39 H new ATOM 116 N PHE A 9 18.924 0.280 -2.958 1.00 0.02 N ATOM 117 CA PHE A 9 18.627 1.692 -3.364 1.00 0.01 C ATOM 118 C PHE A 9 19.915 2.367 -3.859 1.00 0.01 C ATOM 119 O PHE A 9 20.975 2.177 -3.291 1.00 0.02 O ATOM 120 CB PHE A 9 18.087 2.468 -2.155 1.00 0.02 C ATOM 121 CG PHE A 9 17.160 1.592 -1.346 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.688 0.581 -0.534 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.774 1.796 -1.396 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.834 -0.223 0.228 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.920 0.989 -0.636 1.00 0.02 C ATOM 126 CZ PHE A 9 15.450 -0.020 0.177 1.00 0.02 C ATOM 0 H PHE A 9 19.490 0.191 -2.114 1.00 0.02 H new ATOM 0 HA PHE A 9 17.885 1.689 -4.162 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.915 2.807 -1.532 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.556 3.358 -2.492 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.756 0.422 -0.496 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.365 2.576 -2.021 1.00 0.01 H new ATOM 0 HE1 PHE A 9 17.243 -1.001 0.856 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.852 1.145 -0.677 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.791 -0.642 0.765 1.00 0.02 H new ATOM 136 N TYR A 10 19.836 3.153 -4.911 1.00 0.02 N ATOM 137 CA TYR A 10 21.059 3.846 -5.448 1.00 0.01 C ATOM 138 C TYR A 10 20.836 5.362 -5.435 1.00 0.02 C ATOM 139 O TYR A 10 19.764 5.847 -5.748 1.00 0.01 O ATOM 140 CB TYR A 10 21.316 3.392 -6.891 1.00 0.02 C ATOM 141 CG TYR A 10 21.176 1.888 -6.994 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.909 1.296 -6.928 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.313 1.087 -7.166 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.779 -0.094 -7.032 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.180 -0.303 -7.270 1.00 0.02 C ATOM 146 CZ TYR A 10 20.914 -0.893 -7.203 1.00 0.00 C ATOM 147 OH TYR A 10 20.784 -2.263 -7.307 1.00 0.02 O ATOM 0 H TYR A 10 18.975 3.346 -5.423 1.00 0.02 H new ATOM 0 HA TYR A 10 21.917 3.593 -4.824 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.610 3.878 -7.565 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.315 3.695 -7.204 1.00 0.02 H new ATOM 0 HD1 TYR A 10 19.032 1.912 -6.797 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.291 1.542 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.801 -0.550 -6.980 1.00 0.02 H new ATOM 0 HE2 TYR A 10 23.056 -0.920 -7.402 1.00 0.02 H new ATOM 0 HH TYR A 10 21.669 -2.668 -7.423 1.00 0.02 H new ATOM 157 N GLU A 11 21.826 6.121 -5.040 1.00 0.00 N ATOM 158 CA GLU A 11 21.644 7.598 -4.969 1.00 0.02 C ATOM 159 C GLU A 11 21.524 8.222 -6.362 1.00 0.03 C ATOM 160 O GLU A 11 20.903 9.256 -6.513 1.00 0.03 O ATOM 161 CB GLU A 11 22.841 8.218 -4.251 1.00 0.00 C ATOM 162 CG GLU A 11 22.930 7.654 -2.834 1.00 0.00 C ATOM 163 CD GLU A 11 23.955 8.455 -2.028 1.00 0.02 C ATOM 164 OE1 GLU A 11 25.078 8.580 -2.493 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.602 8.929 -0.960 1.00 0.01 O ATOM 0 H GLU A 11 22.748 5.782 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 11 20.720 7.797 -4.425 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.759 8.003 -4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.737 9.302 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.954 7.702 -2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.219 6.603 -2.867 1.00 0.00 H new ATOM 172 N ASP A 12 22.100 7.627 -7.383 1.00 0.02 N ATOM 173 CA ASP A 12 21.996 8.224 -8.756 1.00 0.01 C ATOM 174 C ASP A 12 21.177 7.306 -9.669 1.00 0.02 C ATOM 175 O ASP A 12 20.855 6.184 -9.329 1.00 0.02 O ATOM 176 CB ASP A 12 23.394 8.394 -9.352 1.00 0.01 C ATOM 177 CG ASP A 12 24.319 9.028 -8.310 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.806 9.603 -7.366 1.00 0.03 O ATOM 179 OD2 ASP A 12 25.524 8.927 -8.476 1.00 0.02 O ATOM 0 H ASP A 12 22.634 6.760 -7.326 1.00 0.02 H new ATOM 0 HA ASP A 12 21.505 9.194 -8.678 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.788 7.427 -9.663 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.348 9.021 -10.242 1.00 0.01 H new ATOM 184 N ARG A 13 20.835 7.799 -10.825 1.00 0.02 N ATOM 185 CA ARG A 13 20.027 7.006 -11.794 1.00 0.02 C ATOM 186 C ARG A 13 20.904 5.948 -12.470 1.00 0.00 C ATOM 187 O ARG A 13 22.112 6.068 -12.535 1.00 0.02 O ATOM 188 CB ARG A 13 19.473 7.959 -12.855 1.00 0.00 C ATOM 189 CG ARG A 13 18.420 8.871 -12.221 1.00 0.01 C ATOM 190 CD ARG A 13 18.031 9.972 -13.212 1.00 0.02 C ATOM 191 NE ARG A 13 17.208 11.000 -12.514 1.00 0.03 N ATOM 192 CZ ARG A 13 17.013 12.167 -13.066 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.543 12.436 -14.228 1.00 0.02 N ATOM 194 NH2 ARG A 13 16.291 13.067 -12.454 1.00 0.02 N ATOM 0 H ARG A 13 21.085 8.734 -11.146 1.00 0.02 H new ATOM 0 HA ARG A 13 19.213 6.504 -11.270 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.280 8.557 -13.279 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.032 7.391 -13.675 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.540 8.290 -11.944 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.811 9.314 -11.305 1.00 0.01 H new ATOM 0 HD2 ARG A 13 18.926 10.431 -13.632 1.00 0.02 H new ATOM 0 HD3 ARG A 13 17.471 9.546 -14.044 1.00 0.02 H new ATOM 0 HE ARG A 13 16.797 10.792 -11.604 1.00 0.03 H new ATOM 0 HH11 ARG A 13 18.110 11.735 -14.705 1.00 0.02 H new ATOM 0 HH12 ARG A 13 17.391 13.348 -14.659 1.00 0.02 H new ATOM 0 HH21 ARG A 13 15.879 12.858 -11.544 1.00 0.02 H new ATOM 0 HH22 ARG A 13 16.139 13.979 -12.886 1.00 0.02 H new ATOM 208 N ASN A 14 20.287 4.919 -12.988 1.00 0.02 N ATOM 209 CA ASN A 14 21.038 3.836 -13.687 1.00 0.02 C ATOM 210 C ASN A 14 21.931 3.065 -12.708 1.00 0.02 C ATOM 211 O ASN A 14 22.985 2.569 -13.053 1.00 0.02 O ATOM 212 CB ASN A 14 21.873 4.453 -14.814 1.00 0.26 C ATOM 213 CG ASN A 14 21.093 5.602 -15.458 1.00 0.12 C ATOM 214 OD1 ASN A 14 19.792 5.533 -15.529 1.00 0.74 O flip ATOM 215 ND2 ASN A 14 21.673 6.572 -15.903 1.00 0.46 N flip ATOM 0 H ASN A 14 19.277 4.782 -12.955 1.00 0.02 H new ATOM 0 HA ASN A 14 20.329 3.125 -14.110 1.00 0.02 H new ATOM 0 HB2 ASN A 14 22.821 4.819 -14.420 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.110 3.696 -15.562 1.00 0.26 H new ATOM 0 HD21 ASN A 14 22.690 6.628 -15.848 1.00 0.46 H new ATOM 0 HD22 ASN A 14 21.143 7.331 -16.331 1.00 0.46 H new ATOM 222 N PHE A 15 21.472 2.939 -11.491 1.00 0.02 N ATOM 223 CA PHE A 15 22.225 2.171 -10.454 1.00 0.02 C ATOM 224 C PHE A 15 23.650 2.709 -10.290 1.00 0.00 C ATOM 225 O PHE A 15 24.594 1.959 -10.142 1.00 0.02 O ATOM 226 CB PHE A 15 22.277 0.685 -10.864 1.00 0.02 C ATOM 227 CG PHE A 15 21.045 0.334 -11.668 1.00 0.02 C ATOM 228 CD1 PHE A 15 19.833 0.077 -11.019 1.00 0.02 C ATOM 229 CD2 PHE A 15 21.118 0.269 -13.066 1.00 0.02 C ATOM 230 CE1 PHE A 15 18.693 -0.245 -11.767 1.00 0.02 C ATOM 231 CE2 PHE A 15 19.979 -0.053 -13.812 1.00 0.02 C ATOM 232 CZ PHE A 15 18.767 -0.309 -13.163 1.00 0.02 C ATOM 0 H PHE A 15 20.593 3.342 -11.166 1.00 0.02 H new ATOM 0 HA PHE A 15 21.710 2.281 -9.499 1.00 0.02 H new ATOM 0 HB2 PHE A 15 23.174 0.491 -11.452 1.00 0.02 H new ATOM 0 HB3 PHE A 15 22.335 0.055 -9.977 1.00 0.02 H new ATOM 0 HD1 PHE A 15 19.776 0.127 -9.942 1.00 0.02 H new ATOM 0 HD2 PHE A 15 22.054 0.467 -13.568 1.00 0.02 H new ATOM 0 HE1 PHE A 15 17.757 -0.444 -11.266 1.00 0.02 H new ATOM 0 HE2 PHE A 15 20.036 -0.104 -14.889 1.00 0.02 H new ATOM 0 HZ PHE A 15 17.888 -0.556 -13.739 1.00 0.02 H new ATOM 242 N GLN A 16 23.799 4.007 -10.294 1.00 0.02 N ATOM 243 CA GLN A 16 25.147 4.630 -10.116 1.00 0.02 C ATOM 244 C GLN A 16 25.160 5.379 -8.781 1.00 0.02 C ATOM 245 O GLN A 16 24.126 5.621 -8.186 1.00 0.02 O ATOM 246 CB GLN A 16 25.399 5.621 -11.260 1.00 0.02 C ATOM 247 CG GLN A 16 25.822 4.857 -12.518 1.00 0.00 C ATOM 248 CD GLN A 16 27.259 4.360 -12.354 1.00 0.00 C ATOM 249 OE1 GLN A 16 28.197 5.112 -12.522 1.00 0.02 O ATOM 250 NE2 GLN A 16 27.473 3.114 -12.031 1.00 0.02 N ATOM 0 H GLN A 16 23.035 4.672 -10.414 1.00 0.02 H new ATOM 0 HA GLN A 16 25.923 3.865 -10.124 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.496 6.199 -11.459 1.00 0.02 H new ATOM 0 HB3 GLN A 16 26.176 6.331 -10.975 1.00 0.02 H new ATOM 0 HG2 GLN A 16 25.152 4.014 -12.687 1.00 0.00 H new ATOM 0 HG3 GLN A 16 25.747 5.504 -13.392 1.00 0.00 H new ATOM 0 HE21 GLN A 16 26.686 2.481 -11.890 1.00 0.02 H new ATOM 0 HE22 GLN A 16 28.428 2.773 -11.920 1.00 0.02 H new ATOM 259 N GLY A 17 26.317 5.749 -8.297 1.00 0.03 N ATOM 260 CA GLY A 17 26.380 6.486 -6.998 1.00 0.03 C ATOM 261 C GLY A 17 26.489 5.503 -5.826 1.00 0.02 C ATOM 262 O GLY A 17 26.728 4.326 -6.009 1.00 0.02 O ATOM 0 H GLY A 17 27.218 5.574 -8.742 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.237 7.159 -6.996 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.490 7.104 -6.880 1.00 0.03 H new ATOM 266 N ARG A 18 26.304 5.982 -4.626 1.00 0.00 N ATOM 267 CA ARG A 18 26.380 5.086 -3.434 1.00 0.02 C ATOM 268 C ARG A 18 25.182 4.134 -3.451 1.00 0.02 C ATOM 269 O ARG A 18 24.090 4.498 -3.842 1.00 0.02 O ATOM 270 CB ARG A 18 26.355 5.945 -2.160 1.00 0.79 C ATOM 271 CG ARG A 18 26.903 5.138 -0.965 1.00 1.49 C ATOM 272 CD ARG A 18 28.434 5.238 -0.911 1.00 1.42 C ATOM 273 NE ARG A 18 28.933 4.563 0.318 1.00 2.07 N ATOM 274 CZ ARG A 18 30.197 4.258 0.425 1.00 2.35 C ATOM 275 NH1 ARG A 18 31.021 4.541 -0.547 1.00 2.53 N ATOM 276 NH2 ARG A 18 30.635 3.668 1.503 1.00 2.76 N ATOM 0 H ARG A 18 26.102 6.960 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 18 27.301 4.504 -3.455 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.954 6.844 -2.307 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.336 6.271 -1.952 1.00 0.79 H new ATOM 0 HG2 ARG A 18 26.474 5.514 -0.036 1.00 1.49 H new ATOM 0 HG3 ARG A 18 26.603 4.094 -1.054 1.00 1.49 H new ATOM 0 HD2 ARG A 18 28.871 4.775 -1.796 1.00 1.42 H new ATOM 0 HD3 ARG A 18 28.741 6.284 -0.914 1.00 1.42 H new ATOM 0 HE ARG A 18 28.288 4.339 1.076 1.00 2.07 H new ATOM 0 HH11 ARG A 18 30.677 5.001 -1.390 1.00 2.53 H new ATOM 0 HH12 ARG A 18 32.009 4.303 -0.464 1.00 2.53 H new ATOM 0 HH21 ARG A 18 29.989 3.446 2.261 1.00 2.76 H new ATOM 0 HH22 ARG A 18 31.623 3.429 1.588 1.00 2.76 H new ATOM 290 N ARG A 19 25.392 2.903 -3.045 1.00 0.02 N ATOM 291 CA ARG A 19 24.290 1.888 -3.048 1.00 0.02 C ATOM 292 C ARG A 19 24.092 1.323 -1.639 1.00 0.02 C ATOM 293 O ARG A 19 25.020 1.210 -0.865 1.00 0.02 O ATOM 294 CB ARG A 19 24.690 0.743 -3.984 1.00 0.85 C ATOM 295 CG ARG A 19 23.517 -0.225 -4.171 1.00 1.31 C ATOM 296 CD ARG A 19 23.997 -1.472 -4.919 1.00 1.34 C ATOM 297 NE ARG A 19 24.732 -2.361 -3.975 1.00 1.50 N ATOM 298 CZ ARG A 19 24.970 -3.602 -4.299 1.00 1.63 C ATOM 299 NH1 ARG A 19 24.569 -4.064 -5.453 1.00 1.72 N ATOM 300 NH2 ARG A 19 25.609 -4.383 -3.472 1.00 1.89 N ATOM 0 H ARG A 19 26.290 2.555 -2.708 1.00 0.02 H new ATOM 0 HA ARG A 19 23.364 2.357 -3.381 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.997 1.144 -4.950 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.548 0.211 -3.573 1.00 0.85 H new ATOM 0 HG2 ARG A 19 23.105 -0.506 -3.202 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.716 0.261 -4.729 1.00 1.31 H new ATOM 0 HD2 ARG A 19 23.147 -2.002 -5.348 1.00 1.34 H new ATOM 0 HD3 ARG A 19 24.646 -1.186 -5.747 1.00 1.34 H new ATOM 0 HE ARG A 19 25.049 -1.999 -3.076 1.00 1.50 H new ATOM 0 HH11 ARG A 19 24.070 -3.454 -6.101 1.00 1.72 H new ATOM 0 HH12 ARG A 19 24.755 -5.034 -5.706 1.00 1.72 H new ATOM 0 HH21 ARG A 19 25.923 -4.023 -2.571 1.00 1.89 H new ATOM 0 HH22 ARG A 19 25.794 -5.353 -3.727 1.00 1.89 H new ATOM 314 N TYR A 20 22.882 0.928 -1.325 1.00 0.02 N ATOM 315 CA TYR A 20 22.600 0.317 0.014 1.00 0.02 C ATOM 316 C TYR A 20 21.698 -0.903 -0.172 1.00 0.02 C ATOM 317 O TYR A 20 20.705 -0.839 -0.859 1.00 0.02 O ATOM 318 CB TYR A 20 21.909 1.317 0.952 1.00 0.02 C ATOM 319 CG TYR A 20 22.066 0.828 2.380 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.343 -0.289 2.827 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.951 1.479 3.250 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.505 -0.748 4.141 1.00 0.02 C ATOM 323 CE2 TYR A 20 23.112 1.015 4.561 1.00 0.02 C ATOM 324 CZ TYR A 20 22.390 -0.098 5.007 1.00 0.02 C ATOM 325 OH TYR A 20 22.551 -0.554 6.300 1.00 0.01 O ATOM 0 H TYR A 20 22.073 1.003 -1.941 1.00 0.02 H new ATOM 0 HA TYR A 20 23.549 0.026 0.464 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.350 2.307 0.840 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.853 1.408 0.697 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.662 -0.795 2.158 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.509 2.339 2.909 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.945 -1.605 4.486 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.795 1.517 5.230 1.00 0.02 H new ATOM 0 HH TYR A 20 23.203 0.009 6.767 1.00 0.01 H new ATOM 335 N ASP A 21 22.027 -2.001 0.454 1.00 0.01 N ATOM 336 CA ASP A 21 21.184 -3.235 0.342 1.00 0.02 C ATOM 337 C ASP A 21 20.485 -3.470 1.685 1.00 0.00 C ATOM 338 O ASP A 21 21.082 -3.346 2.735 1.00 0.01 O ATOM 339 CB ASP A 21 22.093 -4.424 0.023 1.00 0.12 C ATOM 340 CG ASP A 21 22.580 -4.322 -1.424 1.00 0.41 C ATOM 341 OD1 ASP A 21 22.016 -3.532 -2.164 1.00 0.56 O ATOM 342 OD2 ASP A 21 23.507 -5.038 -1.768 1.00 1.12 O ATOM 0 H ASP A 21 22.852 -2.100 1.045 1.00 0.01 H new ATOM 0 HA ASP A 21 20.440 -3.121 -0.447 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.944 -4.437 0.704 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.552 -5.359 0.171 1.00 0.12 H new ATOM 347 N CYS A 22 19.210 -3.794 1.650 1.00 0.01 N ATOM 348 CA CYS A 22 18.440 -4.025 2.919 1.00 0.00 C ATOM 349 C CYS A 22 17.735 -5.378 2.844 1.00 0.02 C ATOM 350 O CYS A 22 17.186 -5.753 1.823 1.00 0.01 O ATOM 351 CB CYS A 22 17.401 -2.914 3.093 1.00 0.00 C ATOM 352 SG CYS A 22 16.770 -2.936 4.790 1.00 0.02 S ATOM 0 H CYS A 22 18.668 -3.909 0.794 1.00 0.01 H new ATOM 0 HA CYS A 22 19.123 -4.018 3.768 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.849 -1.945 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.582 -3.054 2.388 1.00 0.00 H new ATOM 0 HG CYS A 22 15.585 -3.470 4.805 1.00 0.02 H new ATOM 358 N ASP A 23 17.756 -6.118 3.925 1.00 0.01 N ATOM 359 CA ASP A 23 17.103 -7.464 3.955 1.00 0.02 C ATOM 360 C ASP A 23 15.985 -7.485 5.005 1.00 0.00 C ATOM 361 O ASP A 23 15.474 -8.533 5.345 1.00 0.02 O ATOM 362 CB ASP A 23 18.156 -8.516 4.312 1.00 0.16 C ATOM 363 CG ASP A 23 17.548 -9.913 4.178 1.00 0.17 C ATOM 364 OD1 ASP A 23 17.007 -10.397 5.159 1.00 0.20 O ATOM 365 OD2 ASP A 23 17.634 -10.476 3.099 1.00 0.17 O ATOM 0 H ASP A 23 18.204 -5.843 4.799 1.00 0.01 H new ATOM 0 HA ASP A 23 16.672 -7.680 2.977 1.00 0.02 H new ATOM 0 HB2 ASP A 23 19.020 -8.419 3.654 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.512 -8.359 5.330 1.00 0.16 H new ATOM 370 N CYS A 24 15.591 -6.345 5.521 1.00 0.01 N ATOM 371 CA CYS A 24 14.496 -6.324 6.539 1.00 0.01 C ATOM 372 C CYS A 24 13.892 -4.915 6.600 1.00 0.01 C ATOM 373 O CYS A 24 14.380 -4.001 5.965 1.00 0.01 O ATOM 374 CB CYS A 24 15.063 -6.702 7.909 1.00 0.62 C ATOM 375 SG CYS A 24 13.702 -7.013 9.060 1.00 1.23 S ATOM 0 H CYS A 24 15.979 -5.433 5.282 1.00 0.01 H new ATOM 0 HA CYS A 24 13.723 -7.041 6.262 1.00 0.01 H new ATOM 0 HB2 CYS A 24 15.690 -7.589 7.823 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.696 -5.899 8.286 1.00 0.62 H new ATOM 0 HG CYS A 24 12.630 -7.320 8.392 1.00 1.23 H new ATOM 381 N ASP A 25 12.833 -4.723 7.346 1.00 0.02 N ATOM 382 CA ASP A 25 12.203 -3.370 7.429 1.00 0.01 C ATOM 383 C ASP A 25 13.177 -2.355 8.038 1.00 0.02 C ATOM 384 O ASP A 25 13.957 -2.672 8.915 1.00 0.00 O ATOM 385 CB ASP A 25 10.962 -3.453 8.322 1.00 0.01 C ATOM 386 CG ASP A 25 11.312 -4.201 9.610 1.00 0.01 C ATOM 387 OD1 ASP A 25 12.177 -3.730 10.328 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.707 -5.232 9.856 1.00 0.01 O ATOM 0 H ASP A 25 12.377 -5.446 7.902 1.00 0.02 H new ATOM 0 HA ASP A 25 11.935 -3.047 6.423 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.602 -2.451 8.557 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.157 -3.967 7.797 1.00 0.01 H new ATOM 393 N CYS A 26 13.112 -1.122 7.592 1.00 0.01 N ATOM 394 CA CYS A 26 14.000 -0.048 8.148 1.00 0.01 C ATOM 395 C CYS A 26 13.147 1.199 8.443 1.00 0.01 C ATOM 396 O CYS A 26 12.534 1.763 7.559 1.00 0.01 O ATOM 397 CB CYS A 26 15.097 0.288 7.132 1.00 0.01 C ATOM 398 SG CYS A 26 16.445 -0.910 7.280 1.00 0.02 S ATOM 0 H CYS A 26 12.475 -0.810 6.859 1.00 0.01 H new ATOM 0 HA CYS A 26 14.471 -0.391 9.069 1.00 0.01 H new ATOM 0 HB2 CYS A 26 14.689 0.269 6.121 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.472 1.297 7.306 1.00 0.01 H new ATOM 0 HG CYS A 26 16.498 -1.638 6.205 1.00 0.02 H new ATOM 404 N ALA A 27 13.067 1.600 9.691 1.00 0.01 N ATOM 405 CA ALA A 27 12.211 2.772 10.060 1.00 0.01 C ATOM 406 C ALA A 27 12.897 4.104 9.729 1.00 0.01 C ATOM 407 O ALA A 27 12.246 5.125 9.616 1.00 0.02 O ATOM 408 CB ALA A 27 11.906 2.718 11.557 1.00 0.24 C ATOM 0 H ALA A 27 13.559 1.164 10.471 1.00 0.01 H new ATOM 0 HA ALA A 27 11.291 2.716 9.479 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.283 3.569 11.832 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.379 1.792 11.788 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.839 2.754 12.120 1.00 0.24 H new ATOM 414 N ASP A 28 14.193 4.120 9.591 1.00 0.01 N ATOM 415 CA ASP A 28 14.891 5.408 9.282 1.00 0.02 C ATOM 416 C ASP A 28 16.173 5.115 8.507 1.00 0.01 C ATOM 417 O ASP A 28 17.146 4.634 9.050 1.00 0.02 O ATOM 418 CB ASP A 28 15.228 6.140 10.583 1.00 0.67 C ATOM 419 CG ASP A 28 16.035 7.400 10.266 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.427 8.392 9.898 1.00 0.87 O ATOM 421 OD2 ASP A 28 17.247 7.352 10.397 1.00 1.14 O ATOM 0 H ASP A 28 14.800 3.305 9.677 1.00 0.01 H new ATOM 0 HA ASP A 28 14.238 6.039 8.679 1.00 0.02 H new ATOM 0 HB2 ASP A 28 14.312 6.405 11.111 1.00 0.67 H new ATOM 0 HB3 ASP A 28 15.798 5.487 11.243 1.00 0.67 H new ATOM 426 N PHE A 29 16.168 5.378 7.226 1.00 0.02 N ATOM 427 CA PHE A 29 17.358 5.099 6.368 1.00 0.02 C ATOM 428 C PHE A 29 18.141 6.396 6.104 1.00 0.00 C ATOM 429 O PHE A 29 19.053 6.433 5.300 1.00 0.02 O ATOM 430 CB PHE A 29 16.839 4.501 5.027 1.00 2.87 C ATOM 431 CG PHE A 29 17.409 3.118 4.812 1.00 3.99 C ATOM 432 CD1 PHE A 29 18.777 2.973 4.599 1.00 4.52 C ATOM 433 CD2 PHE A 29 16.579 1.992 4.839 1.00 4.68 C ATOM 434 CE1 PHE A 29 19.327 1.706 4.413 1.00 5.75 C ATOM 435 CE2 PHE A 29 17.128 0.717 4.652 1.00 5.85 C ATOM 436 CZ PHE A 29 18.503 0.574 4.440 1.00 6.37 C ATOM 0 H PHE A 29 15.374 5.782 6.729 1.00 0.02 H new ATOM 0 HA PHE A 29 18.030 4.399 6.864 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.750 4.455 5.039 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.121 5.151 4.198 1.00 2.87 H new ATOM 0 HD1 PHE A 29 19.414 3.845 4.578 1.00 4.52 H new ATOM 0 HD2 PHE A 29 15.518 2.106 5.004 1.00 4.68 H new ATOM 0 HE1 PHE A 29 20.389 1.597 4.248 1.00 5.75 H new ATOM 0 HE2 PHE A 29 16.490 -0.154 4.671 1.00 5.85 H new ATOM 0 HZ PHE A 29 18.929 -0.408 4.297 1.00 6.37 H new ATOM 446 N ARG A 30 17.746 7.467 6.731 1.00 0.01 N ATOM 447 CA ARG A 30 18.412 8.778 6.487 1.00 0.00 C ATOM 448 C ARG A 30 19.892 8.775 6.892 1.00 0.01 C ATOM 449 O ARG A 30 20.678 9.514 6.337 1.00 0.02 O ATOM 450 CB ARG A 30 17.692 9.869 7.282 1.00 0.32 C ATOM 451 CG ARG A 30 16.240 9.971 6.810 1.00 0.86 C ATOM 452 CD ARG A 30 15.610 11.249 7.363 1.00 1.62 C ATOM 453 NE ARG A 30 15.723 11.256 8.849 1.00 2.25 N ATOM 454 CZ ARG A 30 15.525 12.362 9.513 1.00 2.70 C ATOM 455 NH1 ARG A 30 15.228 13.461 8.874 1.00 3.11 N ATOM 456 NH2 ARG A 30 15.623 12.370 10.815 1.00 3.02 N ATOM 0 H ARG A 30 16.984 7.492 7.408 1.00 0.01 H new ATOM 0 HA ARG A 30 18.359 8.969 5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.724 9.639 8.347 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.197 10.825 7.147 1.00 0.32 H new ATOM 0 HG2 ARG A 30 16.201 9.976 5.721 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.676 9.101 7.145 1.00 0.86 H new ATOM 0 HD2 ARG A 30 16.109 12.123 6.946 1.00 1.62 H new ATOM 0 HD3 ARG A 30 14.563 11.308 7.067 1.00 1.62 H new ATOM 0 HE ARG A 30 15.955 10.397 9.347 1.00 2.25 H new ATOM 0 HH11 ARG A 30 15.151 13.455 7.857 1.00 3.11 H new ATOM 0 HH12 ARG A 30 15.073 14.326 9.392 1.00 3.11 H new ATOM 0 HH21 ARG A 30 15.855 11.511 11.314 1.00 3.02 H new ATOM 0 HH22 ARG A 30 15.468 13.235 11.333 1.00 3.02 H new ATOM 470 N SER A 31 20.295 7.994 7.862 1.00 0.02 N ATOM 471 CA SER A 31 21.731 8.025 8.290 1.00 0.02 C ATOM 472 C SER A 31 22.626 7.258 7.315 1.00 0.01 C ATOM 473 O SER A 31 23.830 7.422 7.315 1.00 0.02 O ATOM 474 CB SER A 31 21.849 7.391 9.675 1.00 0.37 C ATOM 475 OG SER A 31 21.497 6.015 9.594 1.00 0.88 O ATOM 0 H SER A 31 19.700 7.342 8.373 1.00 0.02 H new ATOM 0 HA SER A 31 22.059 9.064 8.308 1.00 0.02 H new ATOM 0 HB2 SER A 31 22.867 7.496 10.050 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.195 7.905 10.380 1.00 0.37 H new ATOM 0 HG SER A 31 21.573 5.605 10.481 1.00 0.88 H new ATOM 481 N TYR A 32 22.058 6.402 6.510 1.00 0.01 N ATOM 482 CA TYR A 32 22.887 5.593 5.555 1.00 0.01 C ATOM 483 C TYR A 32 22.688 6.101 4.126 1.00 0.02 C ATOM 484 O TYR A 32 23.481 5.825 3.249 1.00 0.02 O ATOM 485 CB TYR A 32 22.444 4.130 5.654 1.00 0.02 C ATOM 486 CG TYR A 32 23.046 3.498 6.894 1.00 0.02 C ATOM 487 CD1 TYR A 32 24.433 3.331 6.989 1.00 0.01 C ATOM 488 CD2 TYR A 32 22.218 3.081 7.947 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.993 2.749 8.134 1.00 0.00 C ATOM 490 CE2 TYR A 32 22.779 2.500 9.091 1.00 0.02 C ATOM 491 CZ TYR A 32 24.166 2.333 9.184 1.00 0.02 C ATOM 492 OH TYR A 32 24.718 1.760 10.311 1.00 0.02 O ATOM 0 H TYR A 32 21.055 6.224 6.468 1.00 0.01 H new ATOM 0 HA TYR A 32 23.943 5.684 5.809 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.356 4.071 5.695 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.759 3.583 4.765 1.00 0.02 H new ATOM 0 HD1 TYR A 32 25.072 3.651 6.179 1.00 0.01 H new ATOM 0 HD2 TYR A 32 21.148 3.208 7.875 1.00 0.01 H new ATOM 0 HE1 TYR A 32 26.063 2.621 8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 32 22.141 2.181 9.902 1.00 0.02 H new ATOM 0 HH TYR A 32 24.006 1.530 10.943 1.00 0.02 H new ATOM 502 N LEU A 33 21.629 6.817 3.873 1.00 0.02 N ATOM 503 CA LEU A 33 21.372 7.311 2.484 1.00 0.02 C ATOM 504 C LEU A 33 20.629 8.650 2.553 1.00 0.02 C ATOM 505 O LEU A 33 19.620 8.785 3.215 1.00 0.02 O ATOM 506 CB LEU A 33 20.481 6.281 1.764 1.00 1.66 C ATOM 507 CG LEU A 33 20.665 6.388 0.234 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.886 5.572 -0.215 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.419 5.843 -0.474 1.00 2.80 C ATOM 0 H LEU A 33 20.928 7.084 4.565 1.00 0.02 H new ATOM 0 HA LEU A 33 22.313 7.443 1.950 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.734 5.275 2.098 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.436 6.450 2.024 1.00 1.66 H new ATOM 0 HG LEU A 33 20.815 7.436 -0.025 1.00 2.38 H new ATOM 0 HD11 LEU A 33 22.003 5.657 -1.295 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.780 5.954 0.278 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.743 4.525 0.053 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.551 5.920 -1.553 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.272 4.798 -0.200 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.547 6.423 -0.173 1.00 2.80 H new ATOM 521 N SER A 34 21.148 9.651 1.886 1.00 0.02 N ATOM 522 CA SER A 34 20.510 11.000 1.919 1.00 0.02 C ATOM 523 C SER A 34 19.439 11.139 0.830 1.00 0.00 C ATOM 524 O SER A 34 18.665 12.076 0.835 1.00 0.01 O ATOM 525 CB SER A 34 21.584 12.067 1.703 1.00 0.02 C ATOM 526 OG SER A 34 22.353 11.736 0.554 1.00 0.02 O ATOM 0 H SER A 34 21.992 9.589 1.317 1.00 0.02 H new ATOM 0 HA SER A 34 20.031 11.128 2.889 1.00 0.02 H new ATOM 0 HB2 SER A 34 21.120 13.045 1.575 1.00 0.02 H new ATOM 0 HB3 SER A 34 22.229 12.133 2.579 1.00 0.02 H new ATOM 0 HG SER A 34 23.041 12.420 0.413 1.00 0.02 H new ATOM 532 N ARG A 35 19.384 10.230 -0.109 1.00 0.02 N ATOM 533 CA ARG A 35 18.367 10.325 -1.197 1.00 0.01 C ATOM 534 C ARG A 35 18.406 9.024 -2.014 1.00 0.02 C ATOM 535 O ARG A 35 19.373 8.290 -1.969 1.00 0.02 O ATOM 536 CB ARG A 35 18.707 11.515 -2.100 1.00 0.02 C ATOM 537 CG ARG A 35 17.507 11.865 -2.983 1.00 0.02 C ATOM 538 CD ARG A 35 17.776 13.190 -3.698 1.00 0.02 C ATOM 539 NE ARG A 35 17.926 14.277 -2.691 1.00 0.02 N ATOM 540 CZ ARG A 35 18.444 15.422 -3.040 1.00 0.02 C ATOM 541 NH1 ARG A 35 18.830 15.617 -4.270 1.00 0.00 N ATOM 542 NH2 ARG A 35 18.578 16.374 -2.157 1.00 0.02 N ATOM 0 H ARG A 35 20.004 9.422 -0.169 1.00 0.02 H new ATOM 0 HA ARG A 35 17.371 10.468 -0.777 1.00 0.01 H new ATOM 0 HB2 ARG A 35 18.984 12.376 -1.491 1.00 0.02 H new ATOM 0 HB3 ARG A 35 19.569 11.274 -2.723 1.00 0.02 H new ATOM 0 HG2 ARG A 35 17.334 11.073 -3.712 1.00 0.02 H new ATOM 0 HG3 ARG A 35 16.605 11.942 -2.376 1.00 0.02 H new ATOM 0 HD2 ARG A 35 18.680 13.112 -4.302 1.00 0.02 H new ATOM 0 HD3 ARG A 35 16.957 13.421 -4.379 1.00 0.02 H new ATOM 0 HE ARG A 35 17.624 14.126 -1.729 1.00 0.02 H new ATOM 0 HH11 ARG A 35 18.727 14.874 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 35 19.235 16.513 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.278 16.222 -1.194 1.00 0.02 H new ATOM 0 HH22 ARG A 35 18.983 17.269 -2.430 1.00 0.02 H new ATOM 556 N CYS A 36 17.367 8.729 -2.759 1.00 0.02 N ATOM 557 CA CYS A 36 17.349 7.472 -3.576 1.00 0.02 C ATOM 558 C CYS A 36 16.627 7.749 -4.902 1.00 0.02 C ATOM 559 O CYS A 36 15.459 8.080 -4.896 1.00 0.02 O ATOM 560 CB CYS A 36 16.598 6.386 -2.797 1.00 0.02 C ATOM 561 SG CYS A 36 16.073 5.066 -3.920 1.00 0.02 S ATOM 0 H CYS A 36 16.529 9.305 -2.837 1.00 0.02 H new ATOM 0 HA CYS A 36 18.367 7.139 -3.779 1.00 0.02 H new ATOM 0 HB2 CYS A 36 17.240 5.977 -2.017 1.00 0.02 H new ATOM 0 HB3 CYS A 36 15.729 6.818 -2.300 1.00 0.02 H new ATOM 0 HG CYS A 36 17.060 4.744 -4.703 1.00 0.02 H new ATOM 567 N ASN A 37 17.297 7.649 -6.036 1.00 0.02 N ATOM 568 CA ASN A 37 16.611 7.954 -7.341 1.00 0.01 C ATOM 569 C ASN A 37 16.388 6.690 -8.182 1.00 0.02 C ATOM 570 O ASN A 37 15.836 6.743 -9.265 1.00 0.02 O ATOM 571 CB ASN A 37 17.458 8.941 -8.146 1.00 0.02 C ATOM 572 CG ASN A 37 17.831 10.135 -7.263 1.00 0.01 C ATOM 573 OD1 ASN A 37 17.842 10.030 -6.054 1.00 0.03 O ATOM 574 ND2 ASN A 37 18.143 11.274 -7.822 1.00 0.02 N ATOM 0 H ASN A 37 18.276 7.373 -6.113 1.00 0.02 H new ATOM 0 HA ASN A 37 15.637 8.384 -7.107 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.360 8.449 -8.510 1.00 0.02 H new ATOM 0 HB3 ASN A 37 16.905 9.282 -9.021 1.00 0.02 H new ATOM 0 HD21 ASN A 37 18.396 12.074 -7.242 1.00 0.02 H new ATOM 0 HD22 ASN A 37 18.134 11.363 -8.838 1.00 0.02 H new ATOM 581 N SER A 38 16.792 5.551 -7.684 1.00 0.02 N ATOM 582 CA SER A 38 16.583 4.276 -8.433 1.00 0.02 C ATOM 583 C SER A 38 16.584 3.123 -7.429 1.00 0.01 C ATOM 584 O SER A 38 17.145 3.227 -6.355 1.00 0.02 O ATOM 585 CB SER A 38 17.690 4.072 -9.470 1.00 0.01 C ATOM 586 OG SER A 38 17.413 2.904 -10.231 1.00 0.02 O ATOM 0 H SER A 38 17.261 5.448 -6.784 1.00 0.02 H new ATOM 0 HA SER A 38 15.631 4.313 -8.963 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.754 4.940 -10.126 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.656 3.976 -8.974 1.00 0.01 H new ATOM 0 HG SER A 38 16.452 2.712 -10.198 1.00 0.02 H new ATOM 592 N ILE A 39 15.935 2.028 -7.750 1.00 0.02 N ATOM 593 CA ILE A 39 15.876 0.884 -6.785 1.00 0.02 C ATOM 594 C ILE A 39 15.859 -0.457 -7.524 1.00 0.02 C ATOM 595 O ILE A 39 15.275 -0.609 -8.579 1.00 0.02 O ATOM 596 CB ILE A 39 14.587 0.994 -5.967 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.428 2.427 -5.456 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.645 0.033 -4.777 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.241 2.507 -4.491 1.00 0.00 C ATOM 0 H ILE A 39 15.447 1.878 -8.633 1.00 0.02 H new ATOM 0 HA ILE A 39 16.757 0.927 -6.144 1.00 0.02 H new ATOM 0 HB ILE A 39 13.737 0.734 -6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.340 2.746 -4.952 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.273 3.106 -6.294 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.725 0.115 -4.198 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.755 -0.989 -5.140 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.496 0.288 -4.145 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.133 3.530 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.330 2.207 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.414 1.841 -3.646 1.00 0.00 H new ATOM 611 N ARG A 40 16.456 -1.454 -6.921 1.00 0.02 N ATOM 612 CA ARG A 40 16.450 -2.829 -7.505 1.00 0.02 C ATOM 613 C ARG A 40 15.837 -3.768 -6.464 1.00 0.01 C ATOM 614 O ARG A 40 16.332 -3.871 -5.359 1.00 0.02 O ATOM 615 CB ARG A 40 17.869 -3.303 -7.835 1.00 0.01 C ATOM 616 CG ARG A 40 17.798 -4.561 -8.704 1.00 0.02 C ATOM 617 CD ARG A 40 19.212 -5.002 -9.086 1.00 0.02 C ATOM 618 NE ARG A 40 19.781 -4.044 -10.074 1.00 0.02 N ATOM 619 CZ ARG A 40 21.064 -4.044 -10.318 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.846 -4.886 -9.699 1.00 0.02 N ATOM 621 NH2 ARG A 40 21.565 -3.203 -11.182 1.00 0.02 N ATOM 0 H ARG A 40 16.955 -1.371 -6.035 1.00 0.02 H new ATOM 0 HA ARG A 40 15.876 -2.826 -8.432 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.414 -2.517 -8.358 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.417 -3.513 -6.916 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.291 -5.360 -8.164 1.00 0.02 H new ATOM 0 HG3 ARG A 40 17.213 -4.362 -9.602 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.844 -5.044 -8.199 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.189 -6.006 -9.509 1.00 0.02 H new ATOM 0 HE ARG A 40 19.169 -3.388 -10.560 1.00 0.02 H new ATOM 0 HH11 ARG A 40 21.455 -5.544 -9.025 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.848 -4.886 -9.890 1.00 0.02 H new ATOM 0 HH21 ARG A 40 20.954 -2.545 -11.667 1.00 0.02 H new ATOM 0 HH22 ARG A 40 22.567 -3.204 -11.372 1.00 0.02 H new ATOM 635 N VAL A 41 14.802 -4.485 -6.814 1.00 0.02 N ATOM 636 CA VAL A 41 14.200 -5.459 -5.852 1.00 0.01 C ATOM 637 C VAL A 41 14.598 -6.852 -6.329 1.00 0.02 C ATOM 638 O VAL A 41 14.217 -7.282 -7.400 1.00 0.02 O ATOM 639 CB VAL A 41 12.679 -5.304 -5.821 1.00 0.01 C ATOM 640 CG1 VAL A 41 12.108 -6.213 -4.730 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.334 -3.849 -5.487 1.00 0.00 C ATOM 0 H VAL A 41 14.346 -4.439 -7.725 1.00 0.02 H new ATOM 0 HA VAL A 41 14.559 -5.285 -4.838 1.00 0.01 H new ATOM 0 HB VAL A 41 12.258 -5.574 -6.789 1.00 0.01 H new ATOM 0 HG11 VAL A 41 11.023 -6.109 -4.701 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.367 -7.249 -4.947 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.526 -5.929 -3.764 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.251 -3.728 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.750 -3.591 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.755 -3.191 -6.247 1.00 0.00 H new ATOM 651 N GLU A 42 15.393 -7.545 -5.557 1.00 0.01 N ATOM 652 CA GLU A 42 15.856 -8.897 -5.980 1.00 0.01 C ATOM 653 C GLU A 42 14.821 -9.953 -5.620 1.00 0.02 C ATOM 654 O GLU A 42 14.652 -10.927 -6.327 1.00 0.01 O ATOM 655 CB GLU A 42 17.180 -9.221 -5.284 1.00 0.99 C ATOM 656 CG GLU A 42 17.841 -10.417 -5.968 1.00 1.86 C ATOM 657 CD GLU A 42 19.138 -10.767 -5.237 1.00 3.10 C ATOM 658 OE1 GLU A 42 19.584 -9.956 -4.442 1.00 3.67 O ATOM 659 OE2 GLU A 42 19.662 -11.840 -5.482 1.00 3.81 O ATOM 0 H GLU A 42 15.741 -7.232 -4.651 1.00 0.01 H new ATOM 0 HA GLU A 42 15.995 -8.899 -7.061 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.843 -8.356 -5.321 1.00 0.99 H new ATOM 0 HB3 GLU A 42 17.004 -9.443 -4.231 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.165 -11.272 -5.963 1.00 1.86 H new ATOM 0 HG3 GLU A 42 18.051 -10.183 -7.012 1.00 1.86 H new ATOM 666 N GLY A 43 14.126 -9.790 -4.531 1.00 0.01 N ATOM 667 CA GLY A 43 13.118 -10.815 -4.161 1.00 0.02 C ATOM 668 C GLY A 43 12.142 -10.265 -3.120 1.00 0.02 C ATOM 669 O GLY A 43 12.499 -9.430 -2.309 1.00 0.02 O ATOM 0 H GLY A 43 14.211 -9.002 -3.889 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.570 -11.130 -5.049 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.619 -11.698 -3.765 1.00 0.02 H new ATOM 673 N GLY A 44 10.928 -10.751 -3.118 1.00 0.00 N ATOM 674 CA GLY A 44 9.935 -10.275 -2.109 1.00 0.01 C ATOM 675 C GLY A 44 9.242 -8.999 -2.599 1.00 0.01 C ATOM 676 O GLY A 44 9.629 -8.404 -3.586 1.00 0.01 O ATOM 0 H GLY A 44 10.582 -11.455 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.193 -11.052 -1.926 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.436 -10.083 -1.160 1.00 0.01 H new ATOM 680 N THR A 45 8.236 -8.565 -1.879 1.00 0.01 N ATOM 681 CA THR A 45 7.506 -7.307 -2.237 1.00 0.00 C ATOM 682 C THR A 45 7.680 -6.324 -1.077 1.00 0.01 C ATOM 683 O THR A 45 7.604 -6.709 0.072 1.00 0.01 O ATOM 684 CB THR A 45 6.017 -7.627 -2.428 1.00 0.73 C ATOM 685 OG1 THR A 45 5.853 -8.409 -3.601 1.00 0.88 O ATOM 686 CG2 THR A 45 5.206 -6.333 -2.565 1.00 1.48 C ATOM 0 H THR A 45 7.884 -9.036 -1.046 1.00 0.01 H new ATOM 0 HA THR A 45 7.896 -6.878 -3.160 1.00 0.00 H new ATOM 0 HB THR A 45 5.659 -8.178 -1.558 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.903 -8.617 -3.725 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.152 -6.577 -2.700 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.327 -5.731 -1.665 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.562 -5.770 -3.428 1.00 1.48 H new ATOM 694 N TRP A 46 7.992 -5.076 -1.352 1.00 0.02 N ATOM 695 CA TRP A 46 8.246 -4.101 -0.237 1.00 0.01 C ATOM 696 C TRP A 46 7.401 -2.833 -0.377 1.00 0.01 C ATOM 697 O TRP A 46 7.033 -2.409 -1.455 1.00 0.01 O ATOM 698 CB TRP A 46 9.724 -3.707 -0.259 1.00 0.00 C ATOM 699 CG TRP A 46 10.564 -4.914 0.005 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.700 -5.962 -0.839 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.382 -5.217 1.170 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.553 -6.888 -0.266 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.999 -6.475 0.974 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.647 -4.529 2.369 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.848 -7.030 1.931 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.501 -5.086 3.334 1.00 0.02 C ATOM 707 CH2 TRP A 46 13.100 -6.335 3.115 1.00 0.01 C ATOM 0 H TRP A 46 8.081 -4.692 -2.293 1.00 0.02 H new ATOM 0 HA TRP A 46 7.975 -4.585 0.701 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.982 -3.275 -1.226 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.919 -2.943 0.494 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.221 -6.060 -1.802 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.820 -7.769 -0.706 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.191 -3.567 2.548 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.308 -7.992 1.757 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.698 -4.550 4.250 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.755 -6.759 3.862 1.00 0.01 H new ATOM 718 N ALA A 47 7.158 -2.200 0.743 1.00 0.01 N ATOM 719 CA ALA A 47 6.413 -0.908 0.771 1.00 0.01 C ATOM 720 C ALA A 47 7.446 0.154 1.132 1.00 0.01 C ATOM 721 O ALA A 47 8.224 -0.016 2.050 1.00 0.01 O ATOM 722 CB ALA A 47 5.310 -0.960 1.832 1.00 0.24 C ATOM 0 H ALA A 47 7.453 -2.535 1.660 1.00 0.01 H new ATOM 0 HA ALA A 47 5.934 -0.694 -0.185 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.772 -0.012 1.844 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.617 -1.768 1.597 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.755 -1.137 2.811 1.00 0.24 H new ATOM 728 N VAL A 48 7.445 1.262 0.432 1.00 0.01 N ATOM 729 CA VAL A 48 8.411 2.363 0.738 1.00 0.02 C ATOM 730 C VAL A 48 7.640 3.604 1.172 1.00 0.01 C ATOM 731 O VAL A 48 6.584 3.894 0.645 1.00 0.01 O ATOM 732 CB VAL A 48 9.251 2.682 -0.498 1.00 0.09 C ATOM 733 CG1 VAL A 48 10.111 1.469 -0.854 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.326 3.014 -1.671 1.00 0.65 C ATOM 0 H VAL A 48 6.811 1.452 -0.344 1.00 0.01 H new ATOM 0 HA VAL A 48 9.075 2.046 1.542 1.00 0.02 H new ATOM 0 HB VAL A 48 9.895 3.537 -0.291 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.711 1.695 -1.736 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.769 1.232 -0.018 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.467 0.615 -1.062 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.924 3.242 -2.553 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.682 2.160 -1.880 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.711 3.878 -1.417 1.00 0.65 H new ATOM 744 N TYR A 49 8.157 4.335 2.133 1.00 0.01 N ATOM 745 CA TYR A 49 7.456 5.564 2.621 1.00 0.01 C ATOM 746 C TYR A 49 8.363 6.780 2.440 1.00 0.01 C ATOM 747 O TYR A 49 9.575 6.709 2.570 1.00 0.02 O ATOM 748 CB TYR A 49 7.104 5.394 4.100 1.00 0.01 C ATOM 749 CG TYR A 49 6.142 4.241 4.255 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.622 2.924 4.245 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.773 4.485 4.411 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.730 1.854 4.390 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.883 3.415 4.556 1.00 0.01 C ATOM 754 CZ TYR A 49 4.361 2.099 4.545 1.00 0.02 C ATOM 755 OH TYR A 49 3.484 1.043 4.690 1.00 0.01 O ATOM 0 H TYR A 49 9.040 4.130 2.602 1.00 0.01 H new ATOM 0 HA TYR A 49 6.542 5.714 2.047 1.00 0.01 H new ATOM 0 HB2 TYR A 49 8.007 5.210 4.682 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.657 6.310 4.487 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.679 2.735 4.126 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.403 5.500 4.419 1.00 0.01 H new ATOM 0 HE1 TYR A 49 6.099 0.839 4.382 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.827 3.604 4.676 1.00 0.01 H new ATOM 0 HH TYR A 49 2.571 1.387 4.788 1.00 0.01 H new ATOM 765 N GLU A 50 7.760 7.889 2.103 1.00 0.01 N ATOM 766 CA GLU A 50 8.523 9.144 1.844 1.00 0.01 C ATOM 767 C GLU A 50 9.219 9.656 3.106 1.00 0.01 C ATOM 768 O GLU A 50 10.284 10.236 3.021 1.00 0.02 O ATOM 769 CB GLU A 50 7.542 10.207 1.345 1.00 0.02 C ATOM 770 CG GLU A 50 8.316 11.459 0.925 1.00 0.01 C ATOM 771 CD GLU A 50 7.350 12.473 0.312 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.293 12.672 0.884 1.00 0.02 O ATOM 773 OE2 GLU A 50 7.685 13.034 -0.717 1.00 0.01 O ATOM 0 H GLU A 50 6.750 7.979 1.994 1.00 0.01 H new ATOM 0 HA GLU A 50 9.293 8.936 1.101 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.969 9.821 0.502 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.827 10.455 2.130 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.819 11.895 1.788 1.00 0.01 H new ATOM 0 HG3 GLU A 50 9.090 11.196 0.204 1.00 0.01 H new ATOM 780 N ARG A 51 8.634 9.480 4.272 1.00 0.02 N ATOM 781 CA ARG A 51 9.283 9.999 5.526 1.00 0.02 C ATOM 782 C ARG A 51 9.456 8.842 6.534 1.00 0.01 C ATOM 783 O ARG A 51 8.758 7.845 6.456 1.00 0.02 O ATOM 784 CB ARG A 51 8.358 11.086 6.125 1.00 0.02 C ATOM 785 CG ARG A 51 8.801 12.479 5.653 1.00 0.01 C ATOM 786 CD ARG A 51 7.803 13.527 6.147 1.00 0.02 C ATOM 787 NE ARG A 51 6.426 13.139 5.731 1.00 0.02 N ATOM 788 CZ ARG A 51 5.393 13.708 6.288 1.00 0.02 C ATOM 789 NH1 ARG A 51 5.565 14.617 7.209 1.00 0.02 N ATOM 790 NH2 ARG A 51 4.187 13.371 5.922 1.00 0.01 N ATOM 0 H ARG A 51 7.743 9.004 4.410 1.00 0.02 H new ATOM 0 HA ARG A 51 10.265 10.419 5.305 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.327 10.903 5.823 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.385 11.037 7.214 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.798 12.703 6.033 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.862 12.504 4.565 1.00 0.01 H new ATOM 0 HD2 ARG A 51 7.856 13.611 7.232 1.00 0.02 H new ATOM 0 HD3 ARG A 51 8.055 14.506 5.739 1.00 0.02 H new ATOM 0 HE ARG A 51 6.291 12.429 5.011 1.00 0.02 H new ATOM 0 HH11 ARG A 51 6.508 14.883 7.493 1.00 0.02 H new ATOM 0 HH12 ARG A 51 4.757 15.062 7.644 1.00 0.02 H new ATOM 0 HH21 ARG A 51 4.052 12.663 5.200 1.00 0.01 H new ATOM 0 HH22 ARG A 51 3.379 13.816 6.357 1.00 0.01 H new ATOM 804 N PRO A 52 10.379 8.978 7.475 1.00 0.02 N ATOM 805 CA PRO A 52 10.625 7.911 8.490 1.00 0.02 C ATOM 806 C PRO A 52 9.351 7.489 9.229 1.00 0.01 C ATOM 807 O PRO A 52 8.332 8.150 9.197 1.00 0.02 O ATOM 808 CB PRO A 52 11.645 8.575 9.446 1.00 0.02 C ATOM 809 CG PRO A 52 11.863 10.031 8.989 1.00 0.01 C ATOM 810 CD PRO A 52 11.241 10.193 7.594 1.00 0.01 C ATOM 0 HA PRO A 52 10.985 6.985 8.042 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.276 8.550 10.471 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.588 8.028 9.434 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.403 10.724 9.693 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.927 10.265 8.961 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.659 11.111 7.514 1.00 0.01 H new ATOM 0 HD3 PRO A 52 12.001 10.228 6.813 1.00 0.01 H new ATOM 818 N ASN A 53 9.450 6.390 9.926 1.00 0.02 N ATOM 819 CA ASN A 53 8.307 5.881 10.728 1.00 0.02 C ATOM 820 C ASN A 53 7.128 5.510 9.829 1.00 0.01 C ATOM 821 O ASN A 53 5.979 5.679 10.181 1.00 0.01 O ATOM 822 CB ASN A 53 7.883 6.956 11.734 1.00 0.01 C ATOM 823 CG ASN A 53 9.127 7.643 12.299 1.00 0.02 C ATOM 824 OD1 ASN A 53 10.126 7.001 12.558 1.00 0.02 O ATOM 825 ND2 ASN A 53 9.109 8.931 12.503 1.00 0.01 N ATOM 0 H ASN A 53 10.291 5.815 9.973 1.00 0.02 H new ATOM 0 HA ASN A 53 8.620 4.981 11.257 1.00 0.02 H new ATOM 0 HB2 ASN A 53 7.238 7.689 11.249 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.304 6.506 12.541 1.00 0.01 H new ATOM 0 HD21 ASN A 53 9.933 9.399 12.880 1.00 0.01 H new ATOM 0 HD22 ASN A 53 8.271 9.470 12.286 1.00 0.01 H new ATOM 832 N PHE A 54 7.422 4.974 8.674 1.00 0.02 N ATOM 833 CA PHE A 54 6.350 4.547 7.735 1.00 0.01 C ATOM 834 C PHE A 54 5.266 5.622 7.630 1.00 0.01 C ATOM 835 O PHE A 54 4.089 5.358 7.779 1.00 0.02 O ATOM 836 CB PHE A 54 5.746 3.228 8.236 1.00 1.78 C ATOM 837 CG PHE A 54 6.841 2.380 8.850 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.968 2.040 8.092 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.731 1.938 10.174 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.983 1.258 8.655 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.747 1.157 10.738 1.00 3.32 C ATOM 842 CZ PHE A 54 8.872 0.817 9.979 1.00 3.39 C ATOM 0 H PHE A 54 8.372 4.813 8.340 1.00 0.02 H new ATOM 0 HA PHE A 54 6.776 4.402 6.742 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.968 3.427 8.973 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.275 2.693 7.411 1.00 1.78 H new ATOM 0 HD1 PHE A 54 8.054 2.382 7.071 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.862 2.200 10.760 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.851 0.995 8.069 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.662 0.817 11.760 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.655 0.214 10.415 1.00 3.39 H new ATOM 852 N SER A 55 5.677 6.840 7.368 1.00 0.02 N ATOM 853 CA SER A 55 4.704 7.974 7.241 1.00 0.02 C ATOM 854 C SER A 55 4.906 8.687 5.899 1.00 0.01 C ATOM 855 O SER A 55 5.915 8.517 5.241 1.00 0.01 O ATOM 856 CB SER A 55 4.939 8.966 8.381 1.00 1.90 C ATOM 857 OG SER A 55 4.539 8.371 9.608 1.00 2.33 O ATOM 0 H SER A 55 6.654 7.100 7.235 1.00 0.02 H new ATOM 0 HA SER A 55 3.687 7.585 7.290 1.00 0.02 H new ATOM 0 HB2 SER A 55 5.992 9.245 8.425 1.00 1.90 H new ATOM 0 HB3 SER A 55 4.373 9.881 8.205 1.00 1.90 H new ATOM 0 HG SER A 55 5.022 7.528 9.735 1.00 2.33 H new ATOM 863 N GLY A 56 3.947 9.476 5.482 1.00 0.02 N ATOM 864 CA GLY A 56 4.068 10.192 4.176 1.00 0.02 C ATOM 865 C GLY A 56 3.515 9.313 3.048 1.00 0.02 C ATOM 866 O GLY A 56 2.766 8.387 3.288 1.00 0.00 O ATOM 0 H GLY A 56 3.082 9.655 5.993 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.522 11.135 4.216 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.112 10.436 3.980 1.00 0.02 H new ATOM 870 N HIS A 57 3.854 9.603 1.821 1.00 0.02 N ATOM 871 CA HIS A 57 3.321 8.791 0.685 1.00 0.02 C ATOM 872 C HIS A 57 3.846 7.357 0.772 1.00 0.01 C ATOM 873 O HIS A 57 5.001 7.137 1.073 1.00 0.01 O ATOM 874 CB HIS A 57 3.759 9.419 -0.639 1.00 0.00 C ATOM 875 CG HIS A 57 3.582 10.911 -0.566 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.402 11.953 -0.925 1.00 0.01 N flip ATOM 877 CD2 HIS A 57 2.427 11.494 -0.069 1.00 0.01 C flip ATOM 878 CE1 HIS A 57 3.768 13.163 -0.656 1.00 0.02 C flip ATOM 879 NE2 HIS A 57 2.582 12.829 -0.142 1.00 0.01 N flip ATOM 0 H HIS A 57 4.476 10.366 1.554 1.00 0.02 H new ATOM 0 HA HIS A 57 2.232 8.773 0.739 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.802 9.175 -0.843 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.170 9.011 -1.460 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.560 10.972 0.308 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.153 14.158 -0.826 1.00 0.02 H new ATOM 0 HE2 HIS A 57 1.879 13.504 0.159 1.00 0.01 H new ATOM 887 N MET A 58 3.001 6.382 0.504 1.00 0.02 N ATOM 888 CA MET A 58 3.431 4.945 0.563 1.00 0.02 C ATOM 889 C MET A 58 3.244 4.289 -0.812 1.00 0.01 C ATOM 890 O MET A 58 2.253 4.500 -1.482 1.00 0.01 O ATOM 891 CB MET A 58 2.578 4.206 1.600 1.00 2.61 C ATOM 892 CG MET A 58 1.090 4.294 1.223 1.00 3.46 C ATOM 893 SD MET A 58 0.677 2.957 0.072 1.00 4.50 S ATOM 894 CE MET A 58 0.122 1.753 1.304 1.00 5.01 C ATOM 0 H MET A 58 2.025 6.524 0.245 1.00 0.02 H new ATOM 0 HA MET A 58 4.483 4.893 0.845 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.885 3.162 1.657 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.737 4.639 2.588 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.472 4.221 2.118 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.876 5.260 0.766 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.185 0.835 0.803 1.00 5.01 H new ATOM 0 HE2 MET A 58 0.938 1.535 1.993 1.00 5.01 H new ATOM 0 HE3 MET A 58 -0.722 2.163 1.859 1.00 5.01 H new ATOM 904 N TYR A 59 4.201 3.499 -1.237 1.00 0.02 N ATOM 905 CA TYR A 59 4.111 2.816 -2.574 1.00 0.01 C ATOM 906 C TYR A 59 4.521 1.342 -2.438 1.00 0.01 C ATOM 907 O TYR A 59 5.454 1.005 -1.739 1.00 0.02 O ATOM 908 CB TYR A 59 5.059 3.497 -3.558 1.00 0.01 C ATOM 909 CG TYR A 59 4.528 4.867 -3.909 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.647 5.021 -4.987 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.919 5.983 -3.159 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.156 6.292 -5.314 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.429 7.253 -3.485 1.00 0.01 C ATOM 914 CZ TYR A 59 3.549 7.408 -4.563 1.00 0.01 C ATOM 915 OH TYR A 59 3.067 8.661 -4.884 1.00 0.01 O ATOM 0 H TYR A 59 5.051 3.294 -0.711 1.00 0.02 H new ATOM 0 HA TYR A 59 3.084 2.880 -2.935 1.00 0.01 H new ATOM 0 HB2 TYR A 59 6.053 3.583 -3.120 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.159 2.893 -4.460 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.346 4.160 -5.566 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.599 5.864 -2.329 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.475 6.411 -6.144 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.730 8.113 -2.905 1.00 0.01 H new ATOM 0 HH TYR A 59 3.437 9.323 -4.263 1.00 0.01 H new ATOM 925 N ILE A 60 3.822 0.466 -3.123 1.00 0.02 N ATOM 926 CA ILE A 60 4.147 -0.996 -3.074 1.00 0.01 C ATOM 927 C ILE A 60 5.054 -1.346 -4.263 1.00 0.01 C ATOM 928 O ILE A 60 4.770 -0.981 -5.386 1.00 0.01 O ATOM 929 CB ILE A 60 2.849 -1.809 -3.185 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.775 -1.229 -2.246 1.00 1.35 C ATOM 931 CG2 ILE A 60 3.126 -3.269 -2.828 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.235 -1.283 -0.783 1.00 1.72 C ATOM 0 H ILE A 60 3.031 0.706 -3.721 1.00 0.02 H new ATOM 0 HA ILE A 60 4.650 -1.229 -2.136 1.00 0.01 H new ATOM 0 HB ILE A 60 2.481 -1.754 -4.209 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.561 -0.197 -2.526 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.847 -1.789 -2.360 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.204 -3.844 -2.907 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.868 -3.677 -3.514 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.504 -3.329 -1.807 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.458 -0.867 -0.142 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.424 -2.318 -0.499 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.150 -0.702 -0.668 1.00 1.72 H new ATOM 944 N LEU A 61 6.149 -2.035 -4.023 1.00 0.01 N ATOM 945 CA LEU A 61 7.089 -2.391 -5.142 1.00 0.01 C ATOM 946 C LEU A 61 7.272 -3.930 -5.240 1.00 0.01 C ATOM 947 O LEU A 61 7.891 -4.522 -4.375 1.00 0.00 O ATOM 948 CB LEU A 61 8.466 -1.744 -4.855 1.00 0.01 C ATOM 949 CG LEU A 61 8.570 -0.351 -5.510 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.891 0.298 -5.085 1.00 0.01 C ATOM 951 CD2 LEU A 61 8.526 -0.470 -7.054 1.00 0.01 C ATOM 0 H LEU A 61 6.433 -2.366 -3.101 1.00 0.01 H new ATOM 0 HA LEU A 61 6.674 -2.026 -6.082 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.613 -1.655 -3.779 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.260 -2.388 -5.233 1.00 0.01 H new ATOM 0 HG LEU A 61 7.728 0.260 -5.186 1.00 0.02 H new ATOM 0 HD11 LEU A 61 9.976 1.284 -5.542 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.915 0.398 -4.000 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.724 -0.325 -5.410 1.00 0.01 H new ATOM 0 HD21 LEU A 61 8.601 0.523 -7.498 1.00 0.01 H new ATOM 0 HD22 LEU A 61 9.360 -1.084 -7.396 1.00 0.01 H new ATOM 0 HD23 LEU A 61 7.587 -0.933 -7.357 1.00 0.01 H new ATOM 963 N PRO A 62 6.788 -4.588 -6.287 1.00 0.02 N ATOM 964 CA PRO A 62 7.007 -6.057 -6.426 1.00 0.01 C ATOM 965 C PRO A 62 8.437 -6.340 -6.917 1.00 0.00 C ATOM 966 O PRO A 62 9.158 -5.439 -7.295 1.00 0.02 O ATOM 967 CB PRO A 62 5.957 -6.448 -7.478 1.00 1.47 C ATOM 968 CG PRO A 62 5.534 -5.165 -8.218 1.00 1.29 C ATOM 969 CD PRO A 62 5.993 -3.953 -7.383 1.00 0.82 C ATOM 0 HA PRO A 62 6.905 -6.615 -5.495 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.369 -7.175 -8.178 1.00 1.47 H new ATOM 0 HB3 PRO A 62 5.095 -6.917 -7.002 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.982 -5.134 -9.211 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.453 -5.144 -8.355 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.596 -3.261 -7.971 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.147 -3.387 -6.993 1.00 0.82 H new ATOM 977 N GLN A 63 8.857 -7.577 -6.909 1.00 0.02 N ATOM 978 CA GLN A 63 10.241 -7.898 -7.370 1.00 0.00 C ATOM 979 C GLN A 63 10.491 -7.304 -8.763 1.00 0.00 C ATOM 980 O GLN A 63 9.624 -7.319 -9.615 1.00 0.02 O ATOM 981 CB GLN A 63 10.408 -9.417 -7.436 1.00 1.27 C ATOM 982 CG GLN A 63 9.245 -10.024 -8.221 1.00 1.67 C ATOM 983 CD GLN A 63 9.416 -11.543 -8.295 1.00 2.43 C ATOM 984 OE1 GLN A 63 10.467 -12.096 -7.754 1.00 4.25 O flip ATOM 985 NE2 GLN A 63 8.584 -12.233 -8.851 1.00 3.04 N flip ATOM 0 H GLN A 63 8.304 -8.378 -6.604 1.00 0.02 H new ATOM 0 HA GLN A 63 10.957 -7.470 -6.668 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.354 -9.669 -7.914 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.438 -9.834 -6.430 1.00 1.27 H new ATOM 0 HG2 GLN A 63 8.299 -9.777 -7.739 1.00 1.67 H new ATOM 0 HG3 GLN A 63 9.211 -9.602 -9.225 1.00 1.67 H new ATOM 0 HE21 GLN A 63 7.763 -11.800 -9.274 1.00 3.04 H new ATOM 0 HE22 GLN A 63 8.707 -13.245 -8.895 1.00 3.04 H new ATOM 994 N GLY A 64 11.671 -6.785 -9.014 1.00 0.02 N ATOM 995 CA GLY A 64 11.946 -6.205 -10.365 1.00 0.01 C ATOM 996 C GLY A 64 13.058 -5.152 -10.289 1.00 0.02 C ATOM 997 O GLY A 64 13.637 -4.910 -9.248 1.00 0.02 O ATOM 0 H GLY A 64 12.445 -6.739 -8.351 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.236 -6.998 -11.054 1.00 0.01 H new ATOM 0 HA3 GLY A 64 11.038 -5.753 -10.764 1.00 0.01 H new ATOM 1001 N GLU A 65 13.363 -4.528 -11.402 1.00 0.02 N ATOM 1002 CA GLU A 65 14.441 -3.487 -11.438 1.00 0.02 C ATOM 1003 C GLU A 65 13.855 -2.145 -11.894 1.00 0.02 C ATOM 1004 O GLU A 65 13.161 -2.060 -12.888 1.00 0.02 O ATOM 1005 CB GLU A 65 15.513 -3.929 -12.435 1.00 0.77 C ATOM 1006 CG GLU A 65 16.677 -2.935 -12.417 1.00 0.49 C ATOM 1007 CD GLU A 65 17.768 -3.406 -13.383 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.437 -3.716 -14.515 1.00 0.96 O ATOM 1009 OE2 GLU A 65 18.915 -3.448 -12.973 1.00 0.71 O ATOM 0 H GLU A 65 12.906 -4.697 -12.298 1.00 0.02 H new ATOM 0 HA GLU A 65 14.871 -3.370 -10.443 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.870 -4.927 -12.181 1.00 0.77 H new ATOM 0 HB3 GLU A 65 15.089 -3.988 -13.437 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.326 -1.943 -12.704 1.00 0.49 H new ATOM 0 HG3 GLU A 65 17.081 -2.851 -11.408 1.00 0.49 H new ATOM 1016 N TYR A 66 14.154 -1.093 -11.170 1.00 0.02 N ATOM 1017 CA TYR A 66 13.657 0.268 -11.529 1.00 0.02 C ATOM 1018 C TYR A 66 14.881 1.187 -11.713 1.00 0.02 C ATOM 1019 O TYR A 66 15.390 1.722 -10.742 1.00 0.02 O ATOM 1020 CB TYR A 66 12.803 0.782 -10.369 1.00 0.01 C ATOM 1021 CG TYR A 66 11.631 -0.152 -10.178 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.804 -1.363 -9.499 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.375 0.189 -10.690 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.721 -2.233 -9.332 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.292 -0.681 -10.524 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.464 -1.892 -9.845 1.00 0.02 C ATOM 1027 OH TYR A 66 8.394 -2.748 -9.681 1.00 0.01 O ATOM 0 H TYR A 66 14.732 -1.124 -10.330 1.00 0.02 H new ATOM 0 HA TYR A 66 13.065 0.247 -12.444 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.397 0.834 -9.457 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.451 1.792 -10.578 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.774 -1.626 -9.104 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.241 1.124 -11.214 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.855 -3.167 -8.807 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.323 -0.418 -10.920 1.00 0.02 H new ATOM 0 HH TYR A 66 7.596 -2.358 -10.096 1.00 0.01 H new ATOM 1037 N PRO A 67 15.373 1.363 -12.930 1.00 0.01 N ATOM 1038 CA PRO A 67 16.572 2.224 -13.160 1.00 0.02 C ATOM 1039 C PRO A 67 16.330 3.715 -12.877 1.00 0.02 C ATOM 1040 O PRO A 67 17.249 4.508 -12.941 1.00 0.02 O ATOM 1041 CB PRO A 67 16.890 1.981 -14.655 1.00 0.02 C ATOM 1042 CG PRO A 67 15.854 0.991 -15.223 1.00 0.02 C ATOM 1043 CD PRO A 67 14.790 0.718 -14.143 1.00 0.01 C ATOM 0 HA PRO A 67 17.386 1.968 -12.482 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.857 2.921 -15.206 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.897 1.580 -14.767 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.388 1.404 -16.118 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.341 0.061 -15.517 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.826 1.152 -14.407 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.629 -0.350 -13.995 1.00 0.01 H new ATOM 1051 N GLU A 68 15.130 4.113 -12.551 1.00 0.01 N ATOM 1052 CA GLU A 68 14.891 5.557 -12.257 1.00 0.01 C ATOM 1053 C GLU A 68 13.636 5.667 -11.394 1.00 0.03 C ATOM 1054 O GLU A 68 12.780 4.805 -11.390 1.00 0.02 O ATOM 1055 CB GLU A 68 14.674 6.333 -13.561 1.00 0.69 C ATOM 1056 CG GLU A 68 15.986 6.427 -14.344 1.00 1.09 C ATOM 1057 CD GLU A 68 15.858 7.494 -15.432 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.748 7.720 -15.886 1.00 1.55 O ATOM 1059 OE2 GLU A 68 16.873 8.066 -15.792 1.00 2.02 O ATOM 0 H GLU A 68 14.312 3.509 -12.476 1.00 0.01 H new ATOM 0 HA GLU A 68 15.754 5.975 -11.739 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.915 5.837 -14.166 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.301 7.333 -13.340 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.806 6.676 -13.671 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.224 5.462 -14.792 1.00 1.09 H new ATOM 1066 N TYR A 69 13.545 6.718 -10.629 1.00 0.02 N ATOM 1067 CA TYR A 69 12.387 6.881 -9.713 1.00 0.02 C ATOM 1068 C TYR A 69 11.057 6.904 -10.471 1.00 0.01 C ATOM 1069 O TYR A 69 10.070 6.354 -10.025 1.00 0.01 O ATOM 1070 CB TYR A 69 12.565 8.157 -8.885 1.00 0.02 C ATOM 1071 CG TYR A 69 12.569 9.362 -9.794 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.734 9.714 -10.488 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.409 10.134 -9.939 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.739 10.835 -11.325 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.415 11.255 -10.777 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.580 11.606 -11.471 1.00 0.02 C ATOM 1077 OH TYR A 69 12.585 12.713 -12.296 1.00 0.01 O ATOM 0 H TYR A 69 14.228 7.475 -10.600 1.00 0.02 H new ATOM 0 HA TYR A 69 12.355 6.019 -9.046 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.759 8.243 -8.156 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.499 8.110 -8.325 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.629 9.120 -10.377 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.510 9.864 -9.404 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.638 11.106 -11.859 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.521 11.850 -10.889 1.00 0.02 H new ATOM 0 HH TYR A 69 13.223 12.574 -13.027 1.00 0.01 H new ATOM 1087 N GLN A 70 11.017 7.541 -11.611 1.00 0.01 N ATOM 1088 CA GLN A 70 9.750 7.600 -12.397 1.00 0.02 C ATOM 1089 C GLN A 70 9.282 6.188 -12.772 1.00 0.01 C ATOM 1090 O GLN A 70 8.115 5.950 -13.014 1.00 0.02 O ATOM 1091 CB GLN A 70 9.990 8.401 -13.679 1.00 0.01 C ATOM 1092 CG GLN A 70 10.569 9.771 -13.324 1.00 0.01 C ATOM 1093 CD GLN A 70 10.770 10.588 -14.602 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.635 10.072 -15.695 1.00 0.01 O ATOM 1095 NE2 GLN A 70 11.090 11.850 -14.511 1.00 0.02 N ATOM 0 H GLN A 70 11.810 8.025 -12.033 1.00 0.01 H new ATOM 0 HA GLN A 70 8.982 8.078 -11.789 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.676 7.863 -14.333 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.055 8.520 -14.226 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.897 10.297 -12.646 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.519 9.652 -12.803 1.00 0.01 H new ATOM 0 HE21 GLN A 70 11.203 12.283 -13.594 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.227 12.404 -15.357 1.00 0.02 H new ATOM 1104 N ARG A 71 10.194 5.249 -12.819 1.00 0.01 N ATOM 1105 CA ARG A 71 9.805 3.854 -13.175 1.00 0.02 C ATOM 1106 C ARG A 71 8.998 3.258 -12.023 1.00 0.01 C ATOM 1107 O ARG A 71 8.289 2.282 -12.172 1.00 0.02 O ATOM 1108 CB ARG A 71 11.056 3.008 -13.419 1.00 0.34 C ATOM 1109 CG ARG A 71 10.668 1.686 -14.100 1.00 0.72 C ATOM 1110 CD ARG A 71 10.167 1.934 -15.538 1.00 1.04 C ATOM 1111 NE ARG A 71 8.681 2.048 -15.533 1.00 1.67 N ATOM 1112 CZ ARG A 71 8.061 2.544 -16.569 1.00 2.47 C ATOM 1113 NH1 ARG A 71 8.744 2.937 -17.610 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.760 2.645 -16.567 1.00 3.42 N ATOM 0 H ARG A 71 11.186 5.389 -12.627 1.00 0.01 H new ATOM 0 HA ARG A 71 9.204 3.862 -14.085 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.760 3.556 -14.044 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.559 2.806 -12.474 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.528 1.017 -14.121 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.891 1.188 -13.520 1.00 0.72 H new ATOM 0 HD2 ARG A 71 10.611 2.846 -15.937 1.00 1.04 H new ATOM 0 HD3 ARG A 71 10.478 1.117 -16.189 1.00 1.04 H new ATOM 0 HE ARG A 71 8.148 1.738 -14.720 1.00 1.67 H new ATOM 0 HH11 ARG A 71 9.761 2.856 -17.613 1.00 2.54 H new ATOM 0 HH12 ARG A 71 8.261 3.325 -18.420 1.00 2.54 H new ATOM 0 HH21 ARG A 71 6.226 2.336 -15.755 1.00 3.42 H new ATOM 0 HH22 ARG A 71 6.277 3.033 -17.378 1.00 3.42 H new ATOM 1128 N TRP A 72 9.110 3.858 -10.870 1.00 0.02 N ATOM 1129 CA TRP A 72 8.374 3.377 -9.664 1.00 0.01 C ATOM 1130 C TRP A 72 7.249 4.384 -9.383 1.00 0.01 C ATOM 1131 O TRP A 72 6.605 4.361 -8.355 1.00 0.02 O ATOM 1132 CB TRP A 72 9.396 3.292 -8.505 1.00 0.02 C ATOM 1133 CG TRP A 72 8.780 3.596 -7.175 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.809 2.871 -6.576 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.099 4.687 -6.263 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.509 3.453 -5.356 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.276 4.575 -5.120 1.00 0.02 C ATOM 1138 CE3 TRP A 72 10.013 5.755 -6.321 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.354 5.489 -4.069 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.096 6.677 -5.264 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.268 6.545 -4.142 1.00 0.02 C ATOM 0 H TRP A 72 9.693 4.679 -10.709 1.00 0.02 H new ATOM 0 HA TRP A 72 7.925 2.393 -9.796 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.831 2.293 -8.481 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.212 3.990 -8.692 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.344 1.985 -6.982 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.806 3.095 -4.710 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.654 5.867 -7.183 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.714 5.382 -3.206 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.802 7.492 -5.317 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.335 7.258 -3.334 1.00 0.02 H new ATOM 1152 N MET A 73 7.018 5.265 -10.317 1.00 0.02 N ATOM 1153 CA MET A 73 5.949 6.291 -10.154 1.00 0.02 C ATOM 1154 C MET A 73 6.235 7.166 -8.930 1.00 0.01 C ATOM 1155 O MET A 73 5.350 7.781 -8.368 1.00 0.02 O ATOM 1156 CB MET A 73 4.589 5.603 -9.988 1.00 0.02 C ATOM 1157 CG MET A 73 4.453 4.476 -11.014 1.00 0.01 C ATOM 1158 SD MET A 73 4.757 5.132 -12.675 1.00 0.01 S ATOM 1159 CE MET A 73 3.654 4.010 -13.570 1.00 0.01 C ATOM 0 H MET A 73 7.531 5.318 -11.197 1.00 0.02 H new ATOM 0 HA MET A 73 5.930 6.921 -11.043 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.494 5.203 -8.979 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.785 6.327 -10.120 1.00 0.02 H new ATOM 0 HG2 MET A 73 5.162 3.679 -10.791 1.00 0.01 H new ATOM 0 HG3 MET A 73 3.456 4.039 -10.961 1.00 0.01 H new ATOM 0 HE1 MET A 73 3.686 4.241 -14.635 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.976 2.981 -13.412 1.00 0.01 H new ATOM 0 HE3 MET A 73 2.635 4.132 -13.203 1.00 0.01 H new ATOM 1169 N GLY A 74 7.474 7.220 -8.518 1.00 0.02 N ATOM 1170 CA GLY A 74 7.837 8.047 -7.335 1.00 0.02 C ATOM 1171 C GLY A 74 7.468 9.503 -7.599 1.00 0.01 C ATOM 1172 O GLY A 74 7.615 10.000 -8.697 1.00 0.01 O ATOM 0 H GLY A 74 8.252 6.724 -8.953 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.315 7.683 -6.450 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.905 7.962 -7.133 1.00 0.02 H new ATOM 1176 N LEU A 75 7.032 10.209 -6.591 1.00 0.02 N ATOM 1177 CA LEU A 75 6.709 11.650 -6.789 1.00 0.02 C ATOM 1178 C LEU A 75 8.030 12.430 -6.777 1.00 0.01 C ATOM 1179 O LEU A 75 8.178 13.440 -7.438 1.00 0.02 O ATOM 1180 CB LEU A 75 5.787 12.138 -5.662 1.00 0.55 C ATOM 1181 CG LEU A 75 5.291 13.567 -5.961 1.00 0.58 C ATOM 1182 CD1 LEU A 75 4.084 13.527 -6.908 1.00 0.98 C ATOM 1183 CD2 LEU A 75 4.872 14.249 -4.654 1.00 0.42 C ATOM 0 H LEU A 75 6.886 9.853 -5.646 1.00 0.02 H new ATOM 0 HA LEU A 75 6.192 11.803 -7.736 1.00 0.02 H new ATOM 0 HB2 LEU A 75 4.937 11.464 -5.560 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.322 12.122 -4.712 1.00 0.55 H new ATOM 0 HG LEU A 75 6.101 14.124 -6.432 1.00 0.58 H new ATOM 0 HD11 LEU A 75 3.746 14.543 -7.109 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.372 13.048 -7.844 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.276 12.961 -6.444 1.00 0.98 H new ATOM 0 HD21 LEU A 75 4.522 15.259 -4.867 1.00 0.42 H new ATOM 0 HD22 LEU A 75 4.070 13.678 -4.186 1.00 0.42 H new ATOM 0 HD23 LEU A 75 5.726 14.296 -3.978 1.00 0.42 H new ATOM 1195 N ASN A 76 9.003 11.941 -6.048 1.00 0.01 N ATOM 1196 CA ASN A 76 10.341 12.585 -5.983 1.00 0.02 C ATOM 1197 C ASN A 76 11.327 11.495 -5.554 1.00 0.02 C ATOM 1198 O ASN A 76 10.971 10.335 -5.500 1.00 0.02 O ATOM 1199 CB ASN A 76 10.326 13.724 -4.960 1.00 0.02 C ATOM 1200 CG ASN A 76 11.626 14.523 -5.063 1.00 0.02 C ATOM 1201 OD1 ASN A 76 12.435 14.508 -4.157 1.00 0.01 O ATOM 1202 ND2 ASN A 76 11.864 15.224 -6.137 1.00 0.02 N ATOM 0 H ASN A 76 8.917 11.097 -5.481 1.00 0.01 H new ATOM 0 HA ASN A 76 10.624 13.012 -6.945 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.471 14.376 -5.139 1.00 0.02 H new ATOM 0 HB3 ASN A 76 10.214 13.321 -3.953 1.00 0.02 H new ATOM 0 HD21 ASN A 76 12.729 15.759 -6.216 1.00 0.02 H new ATOM 0 HD22 ASN A 76 11.185 15.237 -6.898 1.00 0.02 H new ATOM 1209 N ASP A 77 12.557 11.832 -5.264 1.00 0.01 N ATOM 1210 CA ASP A 77 13.547 10.779 -4.859 1.00 0.01 C ATOM 1211 C ASP A 77 13.690 10.730 -3.334 1.00 0.01 C ATOM 1212 O ASP A 77 14.736 10.381 -2.817 1.00 0.01 O ATOM 1213 CB ASP A 77 14.907 11.113 -5.475 1.00 0.01 C ATOM 1214 CG ASP A 77 14.808 11.044 -7.000 1.00 0.01 C ATOM 1215 OD1 ASP A 77 13.936 10.345 -7.487 1.00 0.02 O ATOM 1216 OD2 ASP A 77 15.607 11.692 -7.656 1.00 0.01 O ATOM 0 H ASP A 77 12.921 12.784 -5.289 1.00 0.01 H new ATOM 0 HA ASP A 77 13.195 9.810 -5.211 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.223 12.109 -5.165 1.00 0.01 H new ATOM 0 HB3 ASP A 77 15.662 10.413 -5.117 1.00 0.01 H new ATOM 1221 N ARG A 78 12.663 11.093 -2.602 1.00 0.01 N ATOM 1222 CA ARG A 78 12.764 11.084 -1.106 1.00 0.01 C ATOM 1223 C ARG A 78 12.189 9.789 -0.522 1.00 0.02 C ATOM 1224 O ARG A 78 11.038 9.457 -0.731 1.00 0.02 O ATOM 1225 CB ARG A 78 12.006 12.288 -0.542 1.00 0.43 C ATOM 1226 CG ARG A 78 12.171 12.326 0.978 1.00 0.80 C ATOM 1227 CD ARG A 78 11.604 13.640 1.518 1.00 1.00 C ATOM 1228 NE ARG A 78 11.616 13.611 3.008 1.00 1.30 N ATOM 1229 CZ ARG A 78 11.460 14.717 3.683 1.00 2.30 C ATOM 1230 NH1 ARG A 78 11.292 15.848 3.053 1.00 2.72 N ATOM 1231 NH2 ARG A 78 11.473 14.693 4.987 1.00 3.20 N ATOM 0 H ARG A 78 11.762 11.394 -2.974 1.00 0.01 H new ATOM 0 HA ARG A 78 13.816 11.143 -0.828 1.00 0.01 H new ATOM 0 HB2 ARG A 78 12.385 13.210 -0.983 1.00 0.43 H new ATOM 0 HB3 ARG A 78 10.950 12.221 -0.803 1.00 0.43 H new ATOM 0 HG2 ARG A 78 11.654 11.480 1.432 1.00 0.80 H new ATOM 0 HG3 ARG A 78 13.224 12.236 1.243 1.00 0.80 H new ATOM 0 HD2 ARG A 78 12.196 14.480 1.155 1.00 1.00 H new ATOM 0 HD3 ARG A 78 10.587 13.786 1.155 1.00 1.00 H new ATOM 0 HE ARG A 78 11.746 12.727 3.500 1.00 1.30 H new ATOM 0 HH11 ARG A 78 11.283 15.867 2.033 1.00 2.72 H new ATOM 0 HH12 ARG A 78 11.170 16.712 3.581 1.00 2.72 H new ATOM 0 HH21 ARG A 78 11.605 13.810 5.480 1.00 3.20 H new ATOM 0 HH22 ARG A 78 11.351 15.558 5.514 1.00 3.20 H new ATOM 1245 N LEU A 79 12.981 9.067 0.230 1.00 0.01 N ATOM 1246 CA LEU A 79 12.503 7.801 0.872 1.00 0.01 C ATOM 1247 C LEU A 79 13.119 7.725 2.270 1.00 0.01 C ATOM 1248 O LEU A 79 14.325 7.733 2.417 1.00 0.02 O ATOM 1249 CB LEU A 79 12.970 6.597 0.049 1.00 1.04 C ATOM 1250 CG LEU A 79 12.202 6.540 -1.279 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.769 5.404 -2.137 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.697 6.301 -1.020 1.00 2.61 C ATOM 0 H LEU A 79 13.953 9.303 0.430 1.00 0.01 H new ATOM 0 HA LEU A 79 11.414 7.791 0.927 1.00 0.01 H new ATOM 0 HB2 LEU A 79 14.040 6.670 -0.143 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.809 5.677 0.611 1.00 1.04 H new ATOM 0 HG LEU A 79 12.316 7.490 -1.802 1.00 1.85 H new ATOM 0 HD11 LEU A 79 12.228 5.357 -3.082 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.826 5.588 -2.332 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.657 4.458 -1.608 1.00 2.40 H new ATOM 0 HD21 LEU A 79 10.166 6.263 -1.971 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.564 5.357 -0.492 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.298 7.115 -0.414 1.00 2.61 H new ATOM 1264 N GLY A 80 12.310 7.693 3.302 1.00 0.02 N ATOM 1265 CA GLY A 80 12.853 7.667 4.700 1.00 0.02 C ATOM 1266 C GLY A 80 12.659 6.304 5.377 1.00 0.02 C ATOM 1267 O GLY A 80 13.324 6.009 6.351 1.00 0.01 O ATOM 0 H GLY A 80 11.292 7.684 3.237 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.915 7.911 4.679 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.360 8.438 5.293 1.00 0.02 H new ATOM 1271 N SER A 81 11.770 5.462 4.903 1.00 0.01 N ATOM 1272 CA SER A 81 11.591 4.139 5.590 1.00 0.01 C ATOM 1273 C SER A 81 11.007 3.103 4.629 1.00 0.02 C ATOM 1274 O SER A 81 10.359 3.425 3.654 1.00 0.01 O ATOM 1275 CB SER A 81 10.652 4.314 6.785 1.00 0.01 C ATOM 1276 OG SER A 81 9.562 5.142 6.409 1.00 0.01 O ATOM 0 H SER A 81 11.174 5.625 4.092 1.00 0.01 H new ATOM 0 HA SER A 81 12.565 3.786 5.929 1.00 0.01 H new ATOM 0 HB2 SER A 81 10.287 3.343 7.120 1.00 0.01 H new ATOM 0 HB3 SER A 81 11.190 4.759 7.622 1.00 0.01 H new ATOM 0 HG SER A 81 9.810 6.083 6.528 1.00 0.01 H new ATOM 1282 N CYS A 82 11.239 1.842 4.912 1.00 0.02 N ATOM 1283 CA CYS A 82 10.706 0.760 4.029 1.00 0.01 C ATOM 1284 C CYS A 82 10.330 -0.470 4.862 1.00 0.01 C ATOM 1285 O CYS A 82 10.944 -0.765 5.868 1.00 0.01 O ATOM 1286 CB CYS A 82 11.765 0.372 2.996 1.00 0.01 C ATOM 1287 SG CYS A 82 11.113 -0.931 1.922 1.00 0.02 S ATOM 0 H CYS A 82 11.775 1.518 5.717 1.00 0.02 H new ATOM 0 HA CYS A 82 9.815 1.129 3.520 1.00 0.01 H new ATOM 0 HB2 CYS A 82 12.044 1.242 2.402 1.00 0.01 H new ATOM 0 HB3 CYS A 82 12.668 0.026 3.498 1.00 0.01 H new ATOM 0 HG CYS A 82 9.828 -0.784 1.792 1.00 0.02 H new ATOM 1293 N ARG A 83 9.326 -1.195 4.438 1.00 0.01 N ATOM 1294 CA ARG A 83 8.897 -2.422 5.186 1.00 0.01 C ATOM 1295 C ARG A 83 8.601 -3.543 4.189 1.00 0.01 C ATOM 1296 O ARG A 83 8.066 -3.320 3.123 1.00 0.01 O ATOM 1297 CB ARG A 83 7.610 -2.129 5.960 1.00 0.01 C ATOM 1298 CG ARG A 83 7.886 -1.097 7.053 1.00 0.01 C ATOM 1299 CD ARG A 83 6.639 -0.935 7.927 1.00 0.01 C ATOM 1300 NE ARG A 83 6.265 -2.255 8.506 1.00 0.01 N ATOM 1301 CZ ARG A 83 5.425 -2.318 9.502 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.911 -1.222 9.993 1.00 0.01 N ATOM 1303 NH2 ARG A 83 5.096 -3.476 10.008 1.00 0.01 N ATOM 0 H ARG A 83 8.780 -0.991 3.601 1.00 0.01 H new ATOM 0 HA ARG A 83 9.692 -2.716 5.871 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.843 -1.756 5.281 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.224 -3.047 6.403 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.732 -1.414 7.663 1.00 0.01 H new ATOM 0 HG3 ARG A 83 8.157 -0.141 6.605 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.831 -0.217 8.724 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.815 -0.539 7.334 1.00 0.01 H new ATOM 0 HE ARG A 83 6.666 -3.111 8.123 1.00 0.01 H new ATOM 0 HH11 ARG A 83 5.166 -0.317 9.598 1.00 0.01 H new ATOM 0 HH12 ARG A 83 4.254 -1.271 10.772 1.00 0.01 H new ATOM 0 HH21 ARG A 83 5.496 -4.332 9.624 1.00 0.01 H new ATOM 0 HH22 ARG A 83 4.439 -3.524 10.787 1.00 0.01 H new ATOM 1317 N ALA A 84 8.948 -4.757 4.531 1.00 0.01 N ATOM 1318 CA ALA A 84 8.692 -5.896 3.609 1.00 0.01 C ATOM 1319 C ALA A 84 7.224 -6.316 3.708 1.00 0.01 C ATOM 1320 O ALA A 84 6.685 -6.502 4.780 1.00 0.00 O ATOM 1321 CB ALA A 84 9.575 -7.080 4.001 1.00 0.43 C ATOM 0 H ALA A 84 9.398 -5.006 5.412 1.00 0.01 H new ATOM 0 HA ALA A 84 8.919 -5.588 2.588 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.387 -7.914 3.325 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.623 -6.789 3.935 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.346 -7.382 5.023 1.00 0.43 H new ATOM 1327 N VAL A 85 6.585 -6.487 2.583 1.00 0.01 N ATOM 1328 CA VAL A 85 5.160 -6.921 2.578 1.00 0.01 C ATOM 1329 C VAL A 85 5.110 -8.449 2.518 1.00 0.01 C ATOM 1330 O VAL A 85 5.672 -9.057 1.629 1.00 0.01 O ATOM 1331 CB VAL A 85 4.443 -6.335 1.361 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.939 -6.580 1.494 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.704 -4.829 1.293 1.00 1.12 C ATOM 0 H VAL A 85 6.993 -6.343 1.659 1.00 0.01 H new ATOM 0 HA VAL A 85 4.665 -6.568 3.483 1.00 0.01 H new ATOM 0 HB VAL A 85 4.815 -6.812 0.454 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.425 -6.163 0.628 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.748 -7.652 1.548 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.571 -6.100 2.400 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.193 -4.410 0.426 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.329 -4.354 2.199 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.775 -4.649 1.205 1.00 1.12 H new ATOM 1343 N HIS A 86 4.441 -9.080 3.442 1.00 0.01 N ATOM 1344 CA HIS A 86 4.358 -10.569 3.414 1.00 0.01 C ATOM 1345 C HIS A 86 3.119 -10.968 2.618 1.00 0.01 C ATOM 1346 O HIS A 86 2.041 -10.442 2.814 1.00 0.00 O ATOM 1347 CB HIS A 86 4.233 -11.101 4.843 1.00 0.21 C ATOM 1348 CG HIS A 86 5.472 -10.749 5.619 1.00 0.71 C ATOM 1349 ND1 HIS A 86 6.108 -9.525 5.479 1.00 1.26 N ATOM 1350 CD2 HIS A 86 6.207 -11.448 6.545 1.00 1.20 C ATOM 1351 CE1 HIS A 86 7.175 -9.526 6.301 1.00 1.77 C ATOM 1352 NE2 HIS A 86 7.280 -10.674 6.974 1.00 1.71 N ATOM 0 H HIS A 86 3.949 -8.631 4.214 1.00 0.01 H new ATOM 0 HA HIS A 86 5.254 -10.985 2.953 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.355 -10.673 5.326 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.094 -12.182 4.829 1.00 0.21 H new ATOM 0 HD2 HIS A 86 5.985 -12.448 6.888 1.00 1.20 H new ATOM 0 HE1 HIS A 86 7.862 -8.699 6.403 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.994 -10.929 7.656 1.00 1.71 H new ATOM 1360 N LEU A 87 3.270 -11.899 1.714 1.00 0.01 N ATOM 1361 CA LEU A 87 2.114 -12.351 0.884 1.00 0.01 C ATOM 1362 C LEU A 87 1.562 -13.649 1.472 1.00 0.01 C ATOM 1363 O LEU A 87 2.307 -14.527 1.859 1.00 0.01 O ATOM 1364 CB LEU A 87 2.599 -12.614 -0.555 1.00 0.67 C ATOM 1365 CG LEU A 87 3.666 -11.589 -0.949 1.00 1.25 C ATOM 1366 CD1 LEU A 87 4.074 -11.819 -2.407 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.104 -10.174 -0.792 1.00 1.34 C ATOM 0 H LEU A 87 4.152 -12.370 1.513 1.00 0.01 H new ATOM 0 HA LEU A 87 1.338 -11.586 0.877 1.00 0.01 H new ATOM 0 HB2 LEU A 87 3.007 -13.622 -0.630 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.758 -12.558 -1.246 1.00 0.67 H new ATOM 0 HG LEU A 87 4.536 -11.703 -0.303 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.834 -11.091 -2.691 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.477 -12.826 -2.518 1.00 1.63 H new ATOM 0 HD13 LEU A 87 3.202 -11.704 -3.051 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.866 -9.447 -1.073 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.233 -10.055 -1.436 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.812 -10.011 0.246 1.00 1.34 H new ATOM 1379 N SER A 88 0.262 -13.795 1.506 1.00 0.01 N ATOM 1380 CA SER A 88 -0.360 -15.049 2.024 1.00 0.01 C ATOM 1381 C SER A 88 -0.999 -15.779 0.846 1.00 0.01 C ATOM 1382 O SER A 88 -1.858 -15.228 0.187 1.00 0.01 O ATOM 1383 CB SER A 88 -1.430 -14.700 3.061 1.00 0.81 C ATOM 1384 OG SER A 88 -2.303 -15.810 3.225 1.00 1.08 O ATOM 0 H SER A 88 -0.403 -13.088 1.192 1.00 0.01 H new ATOM 0 HA SER A 88 0.391 -15.681 2.497 1.00 0.01 H new ATOM 0 HB2 SER A 88 -0.962 -14.447 4.012 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.993 -13.824 2.739 1.00 0.81 H new ATOM 0 HG SER A 88 -2.989 -15.591 3.890 1.00 1.08 H new ATOM 1390 N SER A 89 -0.648 -17.016 0.587 1.00 0.01 N ATOM 1391 CA SER A 89 -1.310 -17.763 -0.531 1.00 0.01 C ATOM 1392 C SER A 89 -2.092 -18.918 0.083 1.00 0.01 C ATOM 1393 O SER A 89 -1.581 -19.613 0.938 1.00 0.01 O ATOM 1394 CB SER A 89 -0.275 -18.347 -1.495 1.00 0.43 C ATOM 1395 OG SER A 89 0.487 -19.338 -0.819 1.00 1.26 O ATOM 0 H SER A 89 0.064 -17.539 1.098 1.00 0.01 H new ATOM 0 HA SER A 89 -1.955 -17.080 -1.084 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.773 -18.782 -2.362 1.00 0.43 H new ATOM 0 HB3 SER A 89 0.380 -17.558 -1.866 1.00 0.43 H new ATOM 0 HG SER A 89 0.036 -19.585 0.015 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.329 -19.128 -0.279 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.074 -20.244 0.398 1.00 0.00 C ATOM 1403 C GLY A 90 -5.269 -20.766 -0.424 1.00 0.00 C ATOM 1404 O GLY A 90 -5.410 -21.958 -0.601 1.00 0.01 O ATOM 0 H GLY A 90 -3.845 -18.602 -0.985 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.386 -21.067 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.432 -19.897 1.367 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.136 -19.916 -0.930 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.281 -20.446 -1.718 1.00 0.00 C ATOM 1410 C GLY A 91 -7.974 -19.325 -2.500 1.00 0.00 C ATOM 1411 O GLY A 91 -7.468 -18.878 -3.511 1.00 0.01 O ATOM 0 H GLY A 91 -6.097 -18.902 -0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.928 -21.212 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.997 -20.925 -1.050 1.00 0.00 H new ATOM 1415 N GLN A 92 -9.121 -18.868 -2.053 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.850 -17.774 -2.785 1.00 2.31 C ATOM 1417 C GLN A 92 -10.004 -16.545 -1.882 1.00 1.91 C ATOM 1418 O GLN A 92 -10.603 -16.598 -0.826 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.219 -18.302 -3.219 1.00 2.11 C ATOM 1420 CG GLN A 92 -12.019 -17.175 -3.876 1.00 2.86 C ATOM 1421 CD GLN A 92 -13.254 -17.761 -4.567 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.413 -17.631 -5.765 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -14.139 -18.404 -3.856 1.00 4.43 N ATOM 0 H GLN A 92 -9.587 -19.205 -1.211 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.282 -17.473 -3.666 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -11.096 -19.130 -3.918 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.760 -18.691 -2.356 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -12.321 -16.444 -3.126 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.398 -16.649 -4.602 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -14.004 -18.512 -2.851 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.965 -18.798 -4.305 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.430 -15.442 -2.296 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.493 -14.201 -1.466 1.00 0.01 C ATOM 1434 C ALA A 93 -10.947 -13.712 -1.383 1.00 0.01 C ATOM 1435 O ALA A 93 -11.662 -13.715 -2.366 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.622 -13.122 -2.112 1.00 2.99 C ATOM 0 H ALA A 93 -8.920 -15.348 -3.174 1.00 0.01 H new ATOM 0 HA ALA A 93 -9.128 -14.411 -0.461 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.663 -12.213 -1.511 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.591 -13.472 -2.170 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.990 -12.910 -3.116 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.406 -13.338 -0.200 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.853 -12.900 -0.054 1.00 0.01 C ATOM 1444 C LYS A 94 -13.011 -11.602 0.759 1.00 0.01 C ATOM 1445 O LYS A 94 -12.492 -11.455 1.882 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.645 -14.013 0.642 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.145 -13.786 0.440 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.929 -14.801 1.275 1.00 4.11 C ATOM 1449 CE LYS A 94 -17.418 -14.454 1.238 1.00 5.23 C ATOM 1450 NZ LYS A 94 -18.160 -15.335 2.184 1.00 6.36 N ATOM 0 H LYS A 94 -10.856 -13.316 0.659 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.231 -12.706 -1.058 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.357 -14.984 0.238 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.410 -14.028 1.706 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.413 -12.771 0.734 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.401 -13.890 -0.614 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.770 -15.807 0.887 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.569 -14.796 2.304 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -17.565 -13.408 1.508 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -17.806 -14.580 0.227 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -19.172 -15.098 2.158 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -18.030 -16.329 1.907 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -17.796 -15.194 3.148 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.765 -10.659 0.194 1.00 0.00 N ATOM 1465 CA ILE A 95 -14.027 -9.349 0.874 1.00 0.01 C ATOM 1466 C ILE A 95 -15.534 -9.019 0.835 1.00 0.01 C ATOM 1467 O ILE A 95 -16.203 -9.212 -0.166 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.228 -8.253 0.142 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.783 -6.855 0.474 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.327 -8.481 -1.367 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.798 -5.782 0.002 1.00 1.09 C ATOM 0 H ILE A 95 -14.208 -10.756 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.717 -9.405 1.917 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.189 -8.305 0.468 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.749 -6.713 -0.010 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.947 -6.764 1.548 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.763 -7.708 -1.890 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.916 -9.460 -1.615 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.372 -8.438 -1.674 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.195 -4.795 0.239 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.841 -5.919 0.506 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.656 -5.867 -1.075 1.00 1.09 H new ATOM 1483 N GLN A 96 -16.045 -8.457 1.912 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.486 -8.023 1.967 1.00 0.01 C ATOM 1485 C GLN A 96 -17.503 -6.533 2.339 1.00 0.01 C ATOM 1486 O GLN A 96 -16.731 -6.107 3.172 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.274 -8.857 2.994 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.378 -9.234 4.168 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.221 -9.897 5.259 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -18.973 -9.236 5.949 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -18.130 -11.185 5.445 1.00 2.05 N ATOM 0 H GLN A 96 -15.518 -8.278 2.767 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.967 -8.178 1.001 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -19.133 -8.289 3.351 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.662 -9.758 2.520 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.593 -9.913 3.837 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.885 -8.346 4.563 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -17.500 -11.740 4.867 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -18.689 -11.637 6.169 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.356 -5.728 1.740 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.379 -4.258 2.071 1.00 0.01 C ATOM 1502 C VAL A 97 -19.778 -3.821 2.529 1.00 0.01 C ATOM 1503 O VAL A 97 -20.785 -4.339 2.082 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.979 -3.467 0.822 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.620 -3.965 0.316 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -19.032 -3.672 -0.269 1.00 1.03 C ATOM 0 H VAL A 97 -19.035 -6.023 1.039 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.679 -4.066 2.884 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.911 -2.408 1.069 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.334 -3.403 -0.573 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.868 -3.823 1.092 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.690 -5.024 0.068 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.749 -3.109 -1.159 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -19.099 -4.732 -0.516 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -20.000 -3.321 0.089 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.836 -2.877 3.452 1.00 0.01 N ATOM 1517 CA PHE A 98 -21.149 -2.393 3.997 1.00 0.01 C ATOM 1518 C PHE A 98 -21.327 -0.887 3.744 1.00 0.01 C ATOM 1519 O PHE A 98 -20.399 -0.091 3.864 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.191 -2.647 5.505 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.260 -4.132 5.774 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -20.141 -4.933 5.527 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.435 -4.704 6.277 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -20.194 -6.309 5.782 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.489 -6.079 6.534 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.368 -6.882 6.286 1.00 0.69 C ATOM 0 H PHE A 98 -19.017 -2.419 3.852 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.952 -2.932 3.494 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.305 -2.223 5.979 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -22.056 -2.149 5.943 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.235 -4.490 5.139 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.299 -4.085 6.467 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.330 -6.928 5.590 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.394 -6.521 6.923 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.409 -7.943 6.484 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.529 -0.509 3.387 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.825 0.922 3.093 1.00 0.01 C ATOM 1538 C GLU A 99 -22.754 1.792 4.355 1.00 0.01 C ATOM 1539 O GLU A 99 -22.400 2.951 4.280 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.228 1.031 2.493 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.518 2.489 2.126 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.819 2.568 1.325 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.833 2.127 1.839 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -25.778 3.065 0.211 1.00 0.02 O ATOM 0 H GLU A 99 -23.324 -1.140 3.286 1.00 0.01 H new ATOM 0 HA GLU A 99 -22.073 1.282 2.391 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.306 0.400 1.607 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.969 0.671 3.207 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.598 3.093 3.030 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.694 2.898 1.542 1.00 0.01 H new ATOM 1551 N LYS A 100 -23.096 1.261 5.511 1.00 0.01 N ATOM 1552 CA LYS A 100 -23.056 2.087 6.769 1.00 0.01 C ATOM 1553 C LYS A 100 -21.995 1.541 7.725 1.00 0.01 C ATOM 1554 O LYS A 100 -21.468 0.462 7.539 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.419 2.049 7.466 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.506 2.514 6.495 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.883 2.201 7.083 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.969 2.675 6.115 1.00 2.84 C ATOM 1559 NZ LYS A 100 -27.795 4.131 5.848 1.00 3.18 N ATOM 0 H LYS A 100 -23.400 0.296 5.638 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.810 3.114 6.499 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.634 1.038 7.811 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.406 2.690 8.347 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.412 3.584 6.312 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.387 2.015 5.533 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -26.980 1.130 7.260 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.999 2.695 8.048 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -27.910 2.114 5.182 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -28.956 2.487 6.538 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -28.700 4.537 5.534 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -27.485 4.609 6.718 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -27.079 4.265 5.105 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.676 2.294 8.740 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.640 1.854 9.717 1.00 0.01 C ATOM 1575 C GLY A 101 -21.156 0.689 10.567 1.00 0.00 C ATOM 1576 O GLY A 101 -22.341 0.432 10.654 1.00 0.01 O ATOM 0 H GLY A 101 -22.092 3.204 8.937 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.738 1.551 9.186 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.365 2.688 10.363 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.254 0.006 11.218 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.632 -1.131 12.105 1.00 0.00 C ATOM 1582 C ASP A 102 -21.402 -2.211 11.340 1.00 0.00 C ATOM 1583 O ASP A 102 -22.304 -2.835 11.861 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.491 -0.610 13.259 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.829 0.624 13.870 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -20.905 1.677 13.257 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -20.257 0.497 14.941 1.00 0.01 O ATOM 0 H ASP A 102 -19.252 0.192 11.171 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.716 -1.580 12.489 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.489 -0.360 12.899 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.610 -1.385 14.016 1.00 0.01 H new ATOM 1592 N PHE A 103 -21.020 -2.460 10.116 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.682 -3.527 9.310 1.00 0.01 C ATOM 1594 C PHE A 103 -23.199 -3.334 9.274 1.00 0.00 C ATOM 1595 O PHE A 103 -23.949 -4.238 9.587 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.374 -4.893 9.929 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.890 -5.007 10.199 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.981 -4.931 9.137 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.423 -5.192 11.508 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.608 -5.040 9.382 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -18.050 -5.300 11.753 1.00 0.01 C ATOM 1602 CZ PHE A 103 -17.142 -5.224 10.690 1.00 0.01 C ATOM 0 H PHE A 103 -20.269 -1.964 9.635 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.298 -3.471 8.291 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.933 -5.017 10.857 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.693 -5.689 9.256 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -19.340 -4.788 8.128 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -20.124 -5.251 12.328 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.907 -4.982 8.562 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.691 -5.442 12.762 1.00 0.01 H new ATOM 0 HZ PHE A 103 -16.082 -5.307 10.879 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.658 -2.179 8.866 1.00 0.00 N ATOM 1613 CA ASN A 104 -25.132 -1.927 8.770 1.00 0.01 C ATOM 1614 C ASN A 104 -25.432 -1.392 7.368 1.00 0.01 C ATOM 1615 O ASN A 104 -24.539 -0.990 6.647 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.548 -0.883 9.813 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.635 -1.541 11.192 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -25.117 -2.620 11.398 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -26.275 -0.930 12.152 1.00 2.38 N ATOM 0 H ASN A 104 -23.071 -1.391 8.592 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.684 -2.849 8.954 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.826 -0.067 9.833 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.511 -0.450 9.544 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -26.340 -1.359 13.075 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -26.710 -0.024 11.979 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.675 -1.401 6.964 1.00 0.01 N ATOM 1627 CA GLY A 105 -27.016 -0.901 5.599 1.00 0.01 C ATOM 1628 C GLY A 105 -26.954 -2.067 4.615 1.00 0.01 C ATOM 1629 O GLY A 105 -26.971 -3.215 5.009 1.00 0.01 O ATOM 0 H GLY A 105 -27.466 -1.731 7.517 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -28.012 -0.459 5.598 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.320 -0.118 5.300 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.873 -1.796 3.343 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.800 -2.910 2.360 1.00 0.01 C ATOM 1635 C GLN A 106 -25.393 -3.512 2.382 1.00 0.01 C ATOM 1636 O GLN A 106 -24.400 -2.818 2.517 1.00 0.01 O ATOM 1637 CB GLN A 106 -27.107 -2.372 0.961 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.349 -3.543 0.006 1.00 0.01 C ATOM 1639 CD GLN A 106 -28.716 -4.164 0.297 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -28.817 -5.349 0.545 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -29.780 -3.407 0.282 1.00 0.01 N ATOM 0 H GLN A 106 -26.854 -0.858 2.944 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.528 -3.679 2.620 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.985 -1.727 0.992 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.277 -1.763 0.604 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -27.307 -3.198 -1.027 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -26.565 -4.291 0.125 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -29.695 -2.412 0.074 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -30.696 -3.811 0.479 1.00 0.01 H new ATOM 1650 N MET A 107 -25.319 -4.814 2.257 1.00 0.01 N ATOM 1651 CA MET A 107 -24.001 -5.522 2.270 1.00 0.01 C ATOM 1652 C MET A 107 -23.777 -6.198 0.917 1.00 0.01 C ATOM 1653 O MET A 107 -24.690 -6.720 0.309 1.00 0.01 O ATOM 1654 CB MET A 107 -24.014 -6.589 3.373 1.00 0.00 C ATOM 1655 CG MET A 107 -22.778 -7.494 3.257 1.00 0.01 C ATOM 1656 SD MET A 107 -23.106 -8.821 2.071 1.00 0.01 S ATOM 1657 CE MET A 107 -23.823 -10.001 3.242 1.00 0.01 C ATOM 0 H MET A 107 -26.128 -5.425 2.145 1.00 0.01 H new ATOM 0 HA MET A 107 -23.201 -4.806 2.458 1.00 0.01 H new ATOM 0 HB2 MET A 107 -24.031 -6.109 4.352 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.921 -7.189 3.297 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.916 -6.910 2.935 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.531 -7.916 4.231 1.00 0.01 H new ATOM 0 HE1 MET A 107 -24.103 -10.913 2.714 1.00 0.01 H new ATOM 0 HE2 MET A 107 -23.091 -10.239 4.013 1.00 0.01 H new ATOM 0 HE3 MET A 107 -24.708 -9.563 3.704 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.555 -6.207 0.453 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.223 -6.861 -0.851 1.00 0.00 C ATOM 1669 C TYR A 108 -20.986 -7.743 -0.647 1.00 0.01 C ATOM 1670 O TYR A 108 -20.040 -7.366 0.016 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.923 -5.790 -1.903 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.219 -5.163 -2.368 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -24.022 -5.823 -3.307 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.618 -3.922 -1.857 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.222 -5.242 -3.734 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.819 -3.342 -2.284 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.621 -4.002 -3.222 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.805 -3.430 -3.643 1.00 2.48 O ATOM 0 H TYR A 108 -21.759 -5.782 0.929 1.00 0.01 H new ATOM 0 HA TYR A 108 -23.064 -7.465 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.267 -5.027 -1.484 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.397 -6.233 -2.749 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.715 -6.780 -3.702 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.999 -3.412 -1.133 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.840 -5.751 -4.459 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -25.126 -2.385 -1.889 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.933 -2.571 -3.189 1.00 2.48 H new ATOM 1688 N GLU A 109 -21.014 -8.935 -1.192 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.877 -9.898 -1.025 1.00 0.01 C ATOM 1690 C GLU A 109 -19.241 -10.188 -2.382 1.00 0.01 C ATOM 1691 O GLU A 109 -19.923 -10.430 -3.358 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.439 -11.190 -0.425 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.296 -12.164 -0.111 1.00 0.01 C ATOM 1694 CD GLU A 109 -18.823 -12.847 -1.398 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -19.650 -13.449 -2.064 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -17.644 -12.756 -1.697 1.00 0.00 O ATOM 0 H GLU A 109 -21.788 -9.288 -1.754 1.00 0.01 H new ATOM 0 HA GLU A 109 -19.114 -9.477 -0.370 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.997 -10.966 0.484 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -21.139 -11.650 -1.123 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.467 -11.628 0.352 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -19.632 -12.913 0.606 1.00 0.01 H new ATOM 1703 N THR A 110 -17.928 -10.165 -2.464 1.00 0.01 N ATOM 1704 CA THR A 110 -17.270 -10.439 -3.777 1.00 0.00 C ATOM 1705 C THR A 110 -15.899 -11.100 -3.587 1.00 0.01 C ATOM 1706 O THR A 110 -15.179 -10.855 -2.626 1.00 0.01 O ATOM 1707 CB THR A 110 -17.088 -9.129 -4.547 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.546 -9.407 -5.830 1.00 1.65 O ATOM 1709 CG2 THR A 110 -16.137 -8.210 -3.778 1.00 1.69 C ATOM 0 H THR A 110 -17.295 -9.971 -1.688 1.00 0.01 H new ATOM 0 HA THR A 110 -17.911 -11.120 -4.336 1.00 0.00 H new ATOM 0 HB THR A 110 -18.054 -8.636 -4.659 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.431 -8.569 -6.325 1.00 1.65 H new ATOM 0 HG21 THR A 110 -16.008 -7.278 -4.328 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.554 -7.997 -2.794 1.00 1.69 H new ATOM 0 HG23 THR A 110 -15.170 -8.700 -3.664 1.00 1.69 H new ATOM 1717 N THR A 111 -15.554 -11.943 -4.532 1.00 0.00 N ATOM 1718 CA THR A 111 -14.249 -12.672 -4.505 1.00 0.01 C ATOM 1719 C THR A 111 -13.372 -12.232 -5.685 1.00 0.01 C ATOM 1720 O THR A 111 -12.344 -12.823 -5.950 1.00 0.01 O ATOM 1721 CB THR A 111 -14.514 -14.177 -4.606 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.459 -14.420 -5.638 1.00 0.01 O ATOM 1723 CG2 THR A 111 -15.067 -14.689 -3.274 1.00 0.01 C ATOM 0 H THR A 111 -16.138 -12.160 -5.339 1.00 0.00 H new ATOM 0 HA THR A 111 -13.731 -12.444 -3.573 1.00 0.01 H new ATOM 0 HB THR A 111 -13.584 -14.697 -4.834 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.629 -15.383 -5.706 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.256 -15.760 -3.346 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.342 -14.501 -2.482 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.998 -14.171 -3.044 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.792 -11.222 -6.419 1.00 0.01 N ATOM 1732 CA GLU A 112 -13.010 -10.764 -7.620 1.00 0.01 C ATOM 1733 C GLU A 112 -12.610 -9.291 -7.489 1.00 0.01 C ATOM 1734 O GLU A 112 -13.166 -8.552 -6.701 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.875 -10.936 -8.871 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.279 -12.404 -9.016 1.00 1.61 C ATOM 1737 CD GLU A 112 -15.051 -12.592 -10.323 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -14.852 -11.796 -11.225 1.00 3.07 O ATOM 1739 OE2 GLU A 112 -15.827 -13.530 -10.400 1.00 3.21 O ATOM 0 H GLU A 112 -14.645 -10.694 -6.237 1.00 0.01 H new ATOM 0 HA GLU A 112 -12.103 -11.364 -7.693 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.764 -10.309 -8.800 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.325 -10.611 -9.754 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.393 -13.039 -9.010 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.895 -12.708 -8.170 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.660 -8.856 -8.276 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.224 -7.429 -8.231 1.00 0.01 C ATOM 1748 C ASP A 113 -12.336 -6.537 -8.791 1.00 0.00 C ATOM 1749 O ASP A 113 -13.136 -6.965 -9.600 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.978 -7.266 -9.101 1.00 0.01 C ATOM 1751 CG ASP A 113 -8.827 -8.083 -8.507 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -8.979 -8.562 -7.396 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -7.814 -8.215 -9.175 1.00 0.00 O ATOM 0 H ASP A 113 -11.164 -9.434 -8.954 1.00 0.01 H new ATOM 0 HA ASP A 113 -11.008 -7.144 -7.201 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -10.186 -7.598 -10.118 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.698 -6.214 -9.160 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.368 -5.287 -8.384 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.401 -4.331 -8.907 1.00 0.01 C ATOM 1760 C CYS A 114 -12.693 -3.069 -9.464 1.00 0.01 C ATOM 1761 O CYS A 114 -12.021 -2.380 -8.718 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.339 -3.921 -7.766 1.00 0.01 C ATOM 1763 SG CYS A 114 -13.458 -2.876 -6.581 1.00 0.01 S ATOM 0 H CYS A 114 -11.719 -4.886 -7.708 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.976 -4.811 -9.699 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -15.199 -3.384 -8.167 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -14.723 -4.809 -7.264 1.00 0.01 H new ATOM 0 HG CYS A 114 -13.109 -3.587 -5.550 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.834 -2.729 -10.739 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.181 -1.494 -11.266 1.00 0.01 C ATOM 1771 C PRO A 115 -12.964 -0.244 -10.840 1.00 0.01 C ATOM 1772 O PRO A 115 -12.395 0.810 -10.624 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.253 -1.712 -12.783 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.363 -2.743 -13.048 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.614 -3.520 -11.739 1.00 0.01 C ATOM 0 HA PRO A 115 -11.166 -1.336 -10.900 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.470 -0.775 -13.295 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.297 -2.071 -13.165 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -14.275 -2.245 -13.376 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -13.067 -3.425 -13.845 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.674 -3.560 -11.487 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.263 -4.550 -11.805 1.00 0.01 H new ATOM 1783 N SER A 116 -14.264 -0.353 -10.731 1.00 0.01 N ATOM 1784 CA SER A 116 -15.097 0.820 -10.329 1.00 0.02 C ATOM 1785 C SER A 116 -16.243 0.338 -9.435 1.00 0.01 C ATOM 1786 O SER A 116 -17.164 -0.328 -9.876 1.00 0.00 O ATOM 1787 CB SER A 116 -15.664 1.489 -11.582 1.00 0.01 C ATOM 1788 OG SER A 116 -16.599 2.489 -11.199 1.00 0.01 O ATOM 0 H SER A 116 -14.787 -1.211 -10.905 1.00 0.01 H new ATOM 0 HA SER A 116 -14.488 1.539 -9.781 1.00 0.02 H new ATOM 0 HB2 SER A 116 -14.859 1.933 -12.167 1.00 0.01 H new ATOM 0 HB3 SER A 116 -16.148 0.747 -12.217 1.00 0.01 H new ATOM 0 HG SER A 116 -16.963 2.921 -12.000 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.168 0.654 -8.170 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.214 0.209 -7.203 1.00 0.01 C ATOM 1796 C ILE A 117 -18.567 0.830 -7.543 1.00 0.01 C ATOM 1797 O ILE A 117 -19.591 0.189 -7.415 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.797 0.638 -5.797 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.476 -0.045 -5.439 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.870 0.230 -4.787 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.889 0.611 -4.190 1.00 1.83 C ATOM 0 H ILE A 117 -15.417 1.209 -7.760 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.311 -0.875 -7.258 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.676 1.721 -5.769 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.639 -1.108 -5.262 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.775 0.036 -6.270 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.565 0.539 -3.787 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.813 0.712 -5.044 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -17.997 -0.852 -4.809 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -13.947 0.126 -3.933 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.711 1.669 -4.384 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.589 0.507 -3.361 1.00 1.83 H new ATOM 1813 N MET A 118 -18.589 2.071 -7.944 1.00 0.02 N ATOM 1814 CA MET A 118 -19.896 2.710 -8.253 1.00 0.01 C ATOM 1815 C MET A 118 -20.515 2.056 -9.485 1.00 0.01 C ATOM 1816 O MET A 118 -21.711 1.879 -9.564 1.00 0.02 O ATOM 1817 CB MET A 118 -19.714 4.209 -8.499 1.00 0.24 C ATOM 1818 CG MET A 118 -21.081 4.863 -8.706 1.00 0.63 C ATOM 1819 SD MET A 118 -20.891 6.663 -8.731 1.00 1.20 S ATOM 1820 CE MET A 118 -20.598 6.833 -10.508 1.00 1.34 C ATOM 0 H MET A 118 -17.768 2.663 -8.070 1.00 0.02 H new ATOM 0 HA MET A 118 -20.560 2.574 -7.400 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.204 4.668 -7.652 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.086 4.371 -9.375 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.522 4.520 -9.642 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.761 4.569 -7.907 1.00 0.63 H new ATOM 0 HE1 MET A 118 -20.451 7.885 -10.754 1.00 1.34 H new ATOM 0 HE2 MET A 118 -19.708 6.268 -10.786 1.00 1.34 H new ATOM 0 HE3 MET A 118 -21.458 6.449 -11.057 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.728 1.686 -10.448 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.310 1.048 -11.656 1.00 0.02 C ATOM 1832 C GLU A 119 -20.829 -0.348 -11.302 1.00 0.02 C ATOM 1833 O GLU A 119 -21.835 -0.796 -11.815 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.235 0.932 -12.738 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.894 0.591 -14.077 1.00 0.99 C ATOM 1836 CD GLU A 119 -20.623 1.824 -14.617 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -19.955 2.796 -14.927 1.00 2.11 O ATOM 1838 OE2 GLU A 119 -21.839 1.774 -14.711 1.00 2.07 O ATOM 0 H GLU A 119 -18.714 1.796 -10.454 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.135 1.657 -12.024 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.684 1.869 -12.820 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.514 0.160 -12.468 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -19.140 0.259 -14.791 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.596 -0.233 -13.949 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.116 -1.059 -10.471 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.533 -2.453 -10.132 1.00 0.01 C ATOM 1847 C GLN A 120 -21.644 -2.493 -9.075 1.00 0.01 C ATOM 1848 O GLN A 120 -22.585 -3.254 -9.193 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.320 -3.226 -9.611 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.727 -4.669 -9.297 1.00 1.07 C ATOM 1851 CD GLN A 120 -18.473 -5.536 -9.162 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -17.487 -5.372 -10.001 1.00 0.98 O flip ATOM 1853 NE2 GLN A 120 -18.389 -6.371 -8.283 1.00 2.08 N flip ATOM 0 H GLN A 120 -19.264 -0.737 -10.012 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.927 -2.908 -11.041 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.523 -3.216 -10.354 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.927 -2.745 -8.715 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -20.306 -4.702 -8.374 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.367 -5.058 -10.089 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -19.159 -6.500 -7.627 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -17.548 -6.943 -8.201 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.507 -1.738 -8.009 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.521 -1.796 -6.899 1.00 0.01 C ATOM 1864 C PHE A 121 -23.364 -0.523 -6.805 1.00 0.01 C ATOM 1865 O PHE A 121 -24.227 -0.414 -5.958 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.786 -1.999 -5.574 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.885 -3.205 -5.674 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -19.587 -3.070 -6.178 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -21.349 -4.460 -5.263 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -18.752 -4.187 -6.270 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -20.514 -5.579 -5.355 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.214 -5.442 -5.859 1.00 0.01 C ATOM 0 H PHE A 121 -20.739 -1.084 -7.857 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.198 -2.623 -7.112 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.199 -1.113 -5.333 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.504 -2.135 -4.765 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -19.230 -2.102 -6.496 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -22.351 -4.565 -4.875 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -17.750 -4.081 -6.658 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -20.871 -6.548 -5.038 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.569 -6.305 -5.930 1.00 0.01 H new ATOM 1882 N HIS A 122 -23.130 0.444 -7.645 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.930 1.698 -7.567 1.00 0.01 C ATOM 1884 C HIS A 122 -23.744 2.338 -6.188 1.00 0.01 C ATOM 1885 O HIS A 122 -24.642 2.961 -5.655 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.409 1.371 -7.808 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.522 0.335 -8.892 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.612 -1.020 -8.611 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.565 0.437 -10.260 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.703 -1.673 -9.783 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.680 -0.832 -10.821 1.00 0.01 N ATOM 0 H HIS A 122 -22.423 0.422 -8.380 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.593 2.401 -8.329 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.866 1.003 -6.889 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.950 2.273 -8.094 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -25.517 1.361 -10.817 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -25.785 -2.746 -9.874 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.735 -1.069 -11.812 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.573 2.189 -5.611 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.300 2.789 -4.258 1.00 0.01 C ATOM 1901 C LEU A 123 -21.263 3.907 -4.416 1.00 0.02 C ATOM 1902 O LEU A 123 -20.279 3.759 -5.113 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.747 1.697 -3.313 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.891 1.025 -2.523 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.435 -0.350 -2.023 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.270 1.884 -1.308 1.00 0.01 C ATOM 0 H LEU A 123 -21.791 1.677 -6.018 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.220 3.194 -3.836 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.209 0.946 -3.892 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -21.031 2.138 -2.620 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.752 0.919 -3.182 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.245 -0.821 -1.466 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -22.167 -0.976 -2.874 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.568 -0.232 -1.373 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -24.078 1.401 -0.758 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.403 1.995 -0.656 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.599 2.867 -1.646 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.481 5.030 -3.778 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.516 6.163 -3.893 1.00 0.00 C ATOM 1920 C ARG A 124 -19.478 6.103 -2.767 1.00 0.01 C ATOM 1921 O ARG A 124 -18.403 6.660 -2.872 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.275 7.487 -3.801 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.254 7.600 -4.972 1.00 1.98 C ATOM 1924 CD ARG A 124 -23.001 8.933 -4.890 1.00 2.92 C ATOM 1925 NE ARG A 124 -22.077 10.046 -5.249 1.00 3.54 N ATOM 1926 CZ ARG A 124 -22.556 11.224 -5.544 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -23.846 11.427 -5.527 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -21.746 12.198 -5.853 1.00 5.32 N ATOM 0 H ARG A 124 -22.288 5.210 -3.181 1.00 0.01 H new ATOM 0 HA ARG A 124 -20.004 6.088 -4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.815 7.543 -2.856 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.574 8.322 -3.818 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.716 7.531 -5.917 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.963 6.772 -4.948 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.856 8.924 -5.566 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.392 9.081 -3.883 1.00 2.92 H new ATOM 0 HE ARG A 124 -21.070 9.887 -5.264 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -24.479 10.665 -5.283 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -24.221 12.347 -5.757 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -20.738 12.039 -5.864 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -22.120 13.119 -6.084 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.801 5.450 -1.676 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.847 5.375 -0.525 1.00 0.01 C ATOM 1944 C GLU A 125 -19.037 4.051 0.227 1.00 0.01 C ATOM 1945 O GLU A 125 -20.051 3.392 0.097 1.00 0.01 O ATOM 1946 CB GLU A 125 -19.127 6.527 0.441 1.00 0.01 C ATOM 1947 CG GLU A 125 -19.009 7.859 -0.305 1.00 0.01 C ATOM 1948 CD GLU A 125 -19.004 9.010 0.703 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.748 8.931 1.667 1.00 0.01 O ATOM 1950 OE2 GLU A 125 -18.256 9.950 0.495 1.00 0.02 O ATOM 0 H GLU A 125 -20.687 4.965 -1.533 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.828 5.439 -0.906 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.125 6.424 0.867 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.421 6.499 1.271 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -18.094 7.876 -0.897 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.841 7.974 -1.000 1.00 0.01 H new ATOM 1957 N ILE A 126 -18.077 3.677 1.039 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.193 2.414 1.843 1.00 0.01 C ATOM 1959 C ILE A 126 -17.821 2.754 3.288 1.00 0.01 C ATOM 1960 O ILE A 126 -16.817 3.397 3.525 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.228 1.360 1.285 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.803 0.821 -0.028 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -17.072 0.207 2.290 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.782 -0.087 -0.705 1.00 1.70 C ATOM 0 H ILE A 126 -17.210 4.196 1.182 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.205 2.013 1.795 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.250 1.809 1.112 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.722 0.268 0.167 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -18.062 1.648 -0.689 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.385 -0.537 1.886 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.677 0.594 3.229 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -18.043 -0.254 2.468 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.196 -0.468 -1.639 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.874 0.479 -0.915 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.545 -0.922 -0.046 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.642 2.389 4.253 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.334 2.781 5.675 1.00 0.01 C ATOM 1978 C HIS A 127 -17.850 1.608 6.532 1.00 0.01 C ATOM 1979 O HIS A 127 -17.311 1.812 7.600 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.579 3.407 6.315 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.798 4.789 5.760 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.825 5.043 4.398 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -20.002 6.001 6.372 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -20.039 6.362 4.236 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -20.153 6.993 5.408 1.00 0.02 N ATOM 0 H HIS A 127 -19.496 1.847 4.123 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.517 3.502 5.636 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.452 2.784 6.119 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.458 3.455 7.397 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -20.040 6.160 7.440 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -20.110 6.851 3.276 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.316 7.988 5.563 1.00 0.02 H new ATOM 1993 N SER A 128 -17.993 0.389 6.088 1.00 0.01 N ATOM 1994 CA SER A 128 -17.482 -0.753 6.910 1.00 0.01 C ATOM 1995 C SER A 128 -17.201 -1.924 5.975 1.00 0.01 C ATOM 1996 O SER A 128 -17.778 -2.025 4.914 1.00 0.01 O ATOM 1997 CB SER A 128 -18.534 -1.149 7.952 1.00 0.01 C ATOM 1998 OG SER A 128 -18.532 -2.562 8.116 1.00 0.01 O ATOM 0 H SER A 128 -18.435 0.133 5.205 1.00 0.01 H new ATOM 0 HA SER A 128 -16.569 -0.468 7.432 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.320 -0.662 8.903 1.00 0.01 H new ATOM 0 HB3 SER A 128 -19.520 -0.811 7.635 1.00 0.01 H new ATOM 0 HG SER A 128 -18.537 -2.780 9.071 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.302 -2.805 6.323 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.998 -3.930 5.400 1.00 0.01 C ATOM 2006 C CYS A 129 -15.321 -5.060 6.165 1.00 0.00 C ATOM 2007 O CYS A 129 -14.582 -4.838 7.106 1.00 0.01 O ATOM 2008 CB CYS A 129 -15.066 -3.429 4.301 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.374 -4.832 3.390 1.00 1.22 S ATOM 0 H CYS A 129 -15.773 -2.794 7.195 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.924 -4.304 4.962 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.611 -2.776 3.620 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.262 -2.835 4.737 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.302 -5.721 3.193 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.572 -6.280 5.761 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.953 -7.450 6.445 1.00 0.01 C ATOM 2017 C LYS A 130 -14.147 -8.249 5.415 1.00 0.01 C ATOM 2018 O LYS A 130 -14.682 -8.928 4.568 1.00 0.01 O ATOM 2019 CB LYS A 130 -16.080 -8.326 7.056 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.903 -8.462 8.575 1.00 0.80 C ATOM 2021 CD LYS A 130 -16.953 -9.430 9.125 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.825 -9.510 10.648 1.00 0.33 C ATOM 2023 NZ LYS A 130 -18.024 -10.192 11.212 1.00 1.41 N ATOM 0 H LYS A 130 -16.185 -6.515 4.980 1.00 0.01 H new ATOM 0 HA LYS A 130 -14.287 -7.125 7.244 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -17.051 -7.882 6.837 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -16.070 -9.313 6.594 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.901 -8.826 8.804 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -16.005 -7.488 9.053 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -17.953 -9.093 8.851 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -16.818 -10.418 8.686 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -15.921 -10.056 10.920 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -16.731 -8.509 11.069 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -17.938 -10.247 12.247 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -18.878 -9.654 10.964 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -18.094 -11.152 10.819 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.856 -8.180 5.517 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.962 -8.939 4.604 1.00 0.01 C ATOM 2039 C VAL A 131 -11.363 -10.046 5.432 1.00 0.01 C ATOM 2040 O VAL A 131 -10.652 -9.772 6.385 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.842 -8.026 4.095 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.956 -8.792 3.108 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.451 -6.810 3.390 1.00 0.01 C ATOM 0 H VAL A 131 -12.368 -7.615 6.212 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.508 -9.324 3.743 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.239 -7.695 4.941 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.161 -8.138 2.749 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.517 -9.656 3.608 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.558 -9.128 2.264 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.653 -6.162 3.029 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -12.057 -7.144 2.548 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -12.077 -6.258 4.091 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.559 -11.300 5.060 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.884 -12.383 5.842 1.00 0.01 C ATOM 2055 C VAL A 132 -10.536 -13.518 4.890 1.00 0.00 C ATOM 2056 O VAL A 132 -11.093 -14.593 4.969 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.837 -12.904 6.921 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -11.081 -13.850 7.859 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.393 -11.727 7.729 1.00 1.98 C ATOM 0 H VAL A 132 -12.137 -11.606 4.277 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.982 -11.996 6.315 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.659 -13.440 6.446 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.760 -14.220 8.627 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.686 -14.690 7.288 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.258 -13.313 8.331 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -13.071 -12.100 8.496 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.571 -11.189 8.202 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.933 -11.052 7.065 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.614 -13.303 4.011 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.211 -14.378 3.067 1.00 0.01 C ATOM 2071 C GLU A 133 -8.253 -13.742 2.064 1.00 0.01 C ATOM 2072 O GLU A 133 -8.677 -12.952 1.237 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.464 -14.976 2.368 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.674 -16.443 2.786 1.00 0.00 C ATOM 2075 CD GLU A 133 -9.671 -17.335 2.051 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -8.483 -17.099 2.191 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -10.110 -18.239 1.361 1.00 0.00 O ATOM 0 H GLU A 133 -9.113 -12.421 3.900 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.720 -15.203 3.583 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.345 -14.389 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.347 -14.914 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.546 -16.546 3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.692 -16.756 2.554 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.989 -14.061 2.122 1.00 0.01 N ATOM 2085 CA GLY A 134 -6.020 -13.457 1.160 1.00 0.01 C ATOM 2086 C GLY A 134 -5.786 -11.983 1.514 1.00 0.01 C ATOM 2087 O GLY A 134 -6.268 -11.493 2.516 1.00 0.01 O ATOM 0 H GLY A 134 -6.584 -14.714 2.793 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -5.076 -14.002 1.190 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.404 -13.540 0.143 1.00 0.01 H new ATOM 2091 N THR A 135 -5.048 -11.275 0.690 1.00 0.01 N ATOM 2092 CA THR A 135 -4.764 -9.826 0.954 1.00 0.01 C ATOM 2093 C THR A 135 -5.487 -8.972 -0.096 1.00 0.01 C ATOM 2094 O THR A 135 -5.605 -9.356 -1.244 1.00 0.01 O ATOM 2095 CB THR A 135 -3.254 -9.588 0.857 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.571 -10.625 1.545 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.898 -8.238 1.482 1.00 2.30 C ATOM 0 H THR A 135 -4.626 -11.643 -0.163 1.00 0.01 H new ATOM 0 HA THR A 135 -5.115 -9.552 1.949 1.00 0.01 H new ATOM 0 HB THR A 135 -2.956 -9.584 -0.191 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.604 -10.477 1.484 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.823 -8.076 1.409 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.422 -7.442 0.952 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.196 -8.233 2.531 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.987 -7.822 0.296 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.729 -6.937 -0.666 1.00 0.01 C ATOM 2107 C TRP A 136 -6.187 -5.504 -0.604 1.00 0.01 C ATOM 2108 O TRP A 136 -5.837 -5.006 0.442 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.214 -6.920 -0.291 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.856 -8.210 -0.690 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.845 -9.344 0.046 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.607 -8.517 -1.903 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.541 -10.328 -0.636 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -10.029 -9.866 -1.843 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.957 -7.762 -3.036 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.773 -10.446 -2.871 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.706 -8.343 -4.073 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.112 -9.682 -3.990 1.00 0.01 C ATOM 0 H TRP A 136 -5.913 -7.456 1.245 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.596 -7.326 -1.675 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.325 -6.766 0.782 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.713 -6.087 -0.786 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.371 -9.463 1.009 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.677 -11.278 -0.290 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.648 -6.730 -3.110 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -11.084 -11.478 -2.802 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.970 -7.754 -4.939 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.687 -10.123 -4.791 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.158 -4.821 -1.721 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.692 -3.396 -1.743 1.00 0.00 C ATOM 2131 C ILE A 137 -6.869 -2.534 -2.204 1.00 0.01 C ATOM 2132 O ILE A 137 -7.592 -2.907 -3.100 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.548 -3.225 -2.751 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.448 -4.260 -2.482 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.959 -1.815 -2.621 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.228 -3.951 -3.358 1.00 1.69 C ATOM 0 H ILE A 137 -6.440 -5.192 -2.629 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.341 -3.107 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.938 -3.371 -3.758 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.167 -4.242 -1.429 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.818 -5.263 -2.696 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.146 -1.693 -3.337 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.735 -1.077 -2.823 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.577 -1.672 -1.610 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.447 -4.687 -3.166 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.515 -3.992 -4.409 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.854 -2.955 -3.122 1.00 1.69 H new ATOM 2148 N PHE A 138 -7.032 -1.365 -1.623 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.137 -0.434 -2.053 1.00 0.01 C ATOM 2150 C PHE A 138 -7.482 0.808 -2.664 1.00 0.01 C ATOM 2151 O PHE A 138 -6.453 1.260 -2.203 1.00 0.00 O ATOM 2152 CB PHE A 138 -9.061 -0.093 -0.841 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.770 1.260 -0.188 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.935 2.467 -0.898 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.372 1.306 1.156 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.692 3.693 -0.269 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.134 2.535 1.782 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.290 3.726 1.069 1.00 2.49 C ATOM 0 H PHE A 138 -6.446 -1.012 -0.866 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.779 -0.899 -2.801 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -10.098 -0.106 -1.175 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.958 -0.876 -0.089 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.250 2.445 -1.931 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.248 0.388 1.711 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.815 4.615 -0.818 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.829 2.563 2.818 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.100 4.673 1.552 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.080 1.367 -3.692 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.515 2.592 -4.343 1.00 0.01 C ATOM 2170 C TYR A 139 -8.568 3.705 -4.305 1.00 0.01 C ATOM 2171 O TYR A 139 -9.763 3.448 -4.360 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.144 2.286 -5.798 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.305 1.027 -5.854 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.903 -0.218 -5.639 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.934 1.106 -6.124 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.133 -1.385 -5.693 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.163 -0.062 -6.178 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.763 -1.307 -5.962 1.00 0.02 C ATOM 2179 OH TYR A 139 -4.003 -2.458 -6.013 1.00 0.00 O ATOM 0 H TYR A 139 -8.944 1.022 -4.111 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.619 2.909 -3.809 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -8.047 2.160 -6.395 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.592 3.122 -6.227 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.961 -0.279 -5.431 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.471 2.067 -6.291 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.597 -2.346 -5.527 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -3.105 -0.001 -6.386 1.00 0.02 H new ATOM 0 HH TYR A 139 -3.085 -2.257 -5.734 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.134 4.929 -4.144 1.00 0.01 N ATOM 2190 CA GLU A 140 -9.092 6.066 -4.018 1.00 0.02 C ATOM 2191 C GLU A 140 -9.733 6.432 -5.361 1.00 0.01 C ATOM 2192 O GLU A 140 -10.849 6.912 -5.385 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.309 7.271 -3.496 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.277 8.403 -3.150 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.512 9.532 -2.456 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.356 9.321 -2.125 1.00 0.01 O ATOM 2197 OE2 GLU A 140 -9.095 10.587 -2.263 1.00 0.02 O ATOM 0 H GLU A 140 -7.149 5.190 -4.094 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.896 5.777 -3.341 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.734 6.989 -2.614 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.595 7.607 -4.248 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.756 8.776 -4.055 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -10.070 8.033 -2.500 1.00 0.02 H new ATOM 2204 N LEU A 141 -9.060 6.233 -6.476 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.673 6.601 -7.800 1.00 0.02 C ATOM 2206 C LEU A 141 -9.876 5.319 -8.636 1.00 0.01 C ATOM 2207 O LEU A 141 -9.162 4.345 -8.458 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.709 7.556 -8.533 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.922 9.007 -8.049 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.657 9.830 -8.312 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -10.096 9.657 -8.796 1.00 1.24 C ATOM 0 H LEU A 141 -8.122 5.836 -6.527 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.637 7.089 -7.654 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.678 7.253 -8.352 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.875 7.496 -9.609 1.00 0.57 H new ATOM 0 HG LEU A 141 -9.141 8.984 -6.981 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.811 10.853 -7.969 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.818 9.389 -7.774 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.441 9.834 -9.380 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.231 10.679 -8.442 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.885 9.668 -9.865 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -11.006 9.086 -8.612 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.837 5.312 -9.549 1.00 0.01 N ATOM 2224 CA PRO A 142 -11.099 4.105 -10.388 1.00 0.01 C ATOM 2225 C PRO A 142 -9.849 3.612 -11.120 1.00 0.01 C ATOM 2226 O PRO A 142 -8.847 4.291 -11.224 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.174 4.605 -11.383 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.404 6.109 -11.134 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.720 6.487 -9.812 1.00 0.01 C ATOM 0 HA PRO A 142 -11.415 3.247 -9.795 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.849 4.436 -12.410 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -13.103 4.051 -11.248 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.995 6.697 -11.955 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.471 6.328 -11.086 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.148 7.411 -9.902 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.443 6.637 -9.011 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.946 2.424 -11.647 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.823 1.823 -12.415 1.00 0.01 C ATOM 2239 C ASN A 143 -7.569 1.700 -11.548 1.00 0.01 C ATOM 2240 O ASN A 143 -6.454 1.744 -12.031 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.514 2.703 -13.627 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.821 3.114 -14.310 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -10.805 2.405 -14.237 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -9.870 4.238 -14.973 1.00 0.56 N ATOM 0 H ASN A 143 -10.774 1.833 -11.576 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.119 0.825 -12.738 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.961 3.589 -13.314 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.879 2.162 -14.329 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -10.736 4.523 -15.431 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -9.043 4.831 -15.033 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.753 1.509 -10.271 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.595 1.334 -9.351 1.00 0.02 C ATOM 2253 C TYR A 144 -5.655 2.543 -9.418 1.00 0.01 C ATOM 2254 O TYR A 144 -4.462 2.397 -9.600 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.836 0.055 -9.747 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.820 -0.953 -10.303 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.929 -1.336 -9.538 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.633 -1.491 -11.582 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.848 -2.260 -10.051 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.553 -2.412 -12.096 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.661 -2.798 -11.331 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.569 -3.706 -11.840 1.00 0.01 O ATOM 0 H TYR A 144 -8.667 1.466 -9.821 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.961 1.250 -8.328 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -5.073 0.285 -10.491 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.321 -0.360 -8.881 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -8.075 -0.919 -8.553 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.778 -1.195 -12.172 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.701 -2.558 -9.460 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.408 -2.825 -13.083 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.290 -3.978 -12.739 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.186 3.734 -9.266 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.324 4.965 -9.315 1.00 0.01 C ATOM 2274 C ARG A 145 -5.516 5.781 -8.036 1.00 0.01 C ATOM 2275 O ARG A 145 -6.454 5.571 -7.295 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.732 5.821 -10.516 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.337 5.108 -11.812 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.641 6.012 -13.007 1.00 0.01 C ATOM 2279 NE ARG A 145 -7.112 6.065 -13.230 1.00 0.01 N ATOM 2280 CZ ARG A 145 -7.625 6.992 -13.992 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -6.847 7.872 -14.562 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -8.915 7.039 -14.185 1.00 0.01 N ATOM 0 H ARG A 145 -7.179 3.909 -9.110 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.279 4.668 -9.406 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.807 5.999 -10.500 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.247 6.796 -10.463 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.276 4.858 -11.793 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -5.884 4.170 -11.904 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -5.254 7.015 -12.825 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -5.141 5.634 -13.899 1.00 0.01 H new ATOM 0 HE ARG A 145 -7.720 5.376 -12.787 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -5.839 7.835 -14.412 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -7.247 8.597 -15.158 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -9.523 6.351 -13.740 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -9.315 7.764 -14.781 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.621 6.698 -7.755 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.740 7.518 -6.514 1.00 0.02 C ATOM 2298 C GLY A 146 -4.016 6.820 -5.358 1.00 0.01 C ATOM 2299 O GLY A 146 -3.231 5.913 -5.557 1.00 0.02 O ATOM 0 H GLY A 146 -3.811 6.912 -8.336 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.312 8.507 -6.678 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.791 7.663 -6.262 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.274 7.248 -4.155 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.605 6.623 -2.977 1.00 0.01 C ATOM 2305 C ARG A 147 -4.118 5.193 -2.817 1.00 0.01 C ATOM 2306 O ARG A 147 -5.276 4.893 -3.051 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.940 7.435 -1.725 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.233 6.823 -0.513 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.285 7.806 0.657 1.00 0.01 C ATOM 2310 NE ARG A 147 -4.695 8.228 0.889 1.00 0.02 N ATOM 2311 CZ ARG A 147 -5.022 8.819 2.006 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -4.115 9.037 2.917 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -6.256 9.190 2.210 1.00 0.02 N ATOM 0 H ARG A 147 -4.921 8.005 -3.934 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.525 6.608 -3.121 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.627 8.471 -1.856 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -5.018 7.445 -1.563 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.712 5.884 -0.235 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -2.197 6.591 -0.761 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.881 7.340 1.556 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -2.664 8.676 0.443 1.00 0.01 H new ATOM 0 HE ARG A 147 -5.404 8.055 0.176 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -3.151 8.746 2.757 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -4.370 9.499 3.790 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -6.965 9.018 1.497 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -6.512 9.652 3.083 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.231 4.298 -2.449 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.591 2.855 -2.296 1.00 0.01 C ATOM 2329 C GLN A 148 -3.367 2.432 -0.838 1.00 0.01 C ATOM 2330 O GLN A 148 -2.492 2.940 -0.164 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.659 2.040 -3.217 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.280 2.877 -4.444 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.655 1.972 -5.508 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -1.134 0.831 -5.151 1.00 0.02 O flip ATOM 2335 NE2 GLN A 148 -1.641 2.307 -6.675 1.00 0.01 N flip ATOM 0 H GLN A 148 -2.255 4.513 -2.245 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.635 2.685 -2.560 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.761 1.747 -2.673 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.155 1.122 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.164 3.372 -4.846 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.577 3.660 -4.160 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -2.048 3.199 -6.954 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -1.222 1.696 -7.376 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.145 1.499 -0.356 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.992 1.011 1.053 1.00 0.01 C ATOM 2346 C TYR A 149 -3.919 -0.522 1.047 1.00 0.01 C ATOM 2347 O TYR A 149 -4.599 -1.170 0.276 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.202 1.480 1.877 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.790 1.765 3.311 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.381 0.718 4.144 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.815 3.078 3.804 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -4.000 0.980 5.465 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.432 3.340 5.125 1.00 0.01 C ATOM 2354 CZ TYR A 149 -4.025 2.291 5.954 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.647 2.549 7.256 1.00 0.01 O ATOM 0 H TYR A 149 -4.891 1.046 -0.884 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.079 1.410 1.495 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.628 2.378 1.430 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.979 0.716 1.861 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.359 -0.294 3.767 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -5.130 3.888 3.163 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.687 0.170 6.107 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.451 4.352 5.503 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.490 3.510 7.367 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.107 -1.107 1.893 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.997 -2.603 1.924 1.00 0.01 C ATOM 2367 C LEU A 150 -3.897 -3.148 3.036 1.00 0.01 C ATOM 2368 O LEU A 150 -3.755 -2.803 4.192 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.532 -2.976 2.184 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.293 -4.455 1.831 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.212 -4.731 1.803 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -1.970 -5.376 2.867 1.00 0.01 C ATOM 0 H LEU A 150 -2.515 -0.616 2.563 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.316 -3.034 0.975 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.876 -2.341 1.589 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.284 -2.799 3.230 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.725 -4.659 0.851 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.385 -5.778 1.553 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.684 -4.096 1.053 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.640 -4.516 2.782 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -1.790 -6.417 2.601 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -1.556 -5.178 3.856 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -3.043 -5.185 2.878 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.833 -3.998 2.683 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.770 -4.583 3.689 1.00 0.01 C ATOM 2386 C LEU A 151 -5.413 -6.045 3.976 1.00 0.01 C ATOM 2387 O LEU A 151 -5.187 -6.828 3.075 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.193 -4.523 3.129 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.458 -3.129 2.550 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.927 -3.025 2.126 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.146 -2.063 3.612 1.00 0.01 C ATOM 0 H LEU A 151 -4.987 -4.314 1.726 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.694 -4.014 4.615 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.323 -5.280 2.356 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.914 -4.744 3.916 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.819 -2.967 1.682 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.117 -2.034 1.714 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.142 -3.780 1.370 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.568 -3.187 2.993 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.335 -1.072 3.199 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.782 -2.220 4.483 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.100 -2.139 3.908 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.403 -6.425 5.229 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.107 -7.846 5.598 1.00 0.01 C ATOM 2405 C ASP A 152 -6.407 -8.489 6.085 1.00 0.00 C ATOM 2406 O ASP A 152 -7.405 -7.819 6.249 1.00 0.01 O ATOM 2407 CB ASP A 152 -4.069 -7.874 6.720 1.00 1.04 C ATOM 2408 CG ASP A 152 -3.568 -9.307 6.916 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -2.924 -9.819 6.016 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -3.835 -9.869 7.964 1.00 2.27 O ATOM 0 H ASP A 152 -5.589 -5.808 6.019 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.714 -8.390 4.739 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -3.235 -7.216 6.475 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -4.508 -7.501 7.645 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.413 -9.775 6.324 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.668 -10.424 6.803 1.00 0.01 C ATOM 2417 C LYS A 153 -8.116 -9.724 8.092 1.00 0.01 C ATOM 2418 O LYS A 153 -7.778 -10.145 9.180 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.401 -11.909 7.083 1.00 0.38 C ATOM 2420 CG LYS A 153 -6.009 -12.066 7.707 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.894 -13.442 8.366 1.00 0.72 C ATOM 2422 CE LYS A 153 -4.502 -13.599 8.978 1.00 1.09 C ATOM 2423 NZ LYS A 153 -4.316 -15.005 9.435 1.00 1.84 N ATOM 0 H LYS A 153 -5.613 -10.397 6.210 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.448 -10.342 6.046 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.161 -12.306 7.756 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.464 -12.482 6.158 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -5.241 -11.953 6.941 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.840 -11.283 8.446 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -6.657 -13.553 9.137 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -6.070 -14.226 7.629 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -3.739 -13.340 8.244 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -4.383 -12.914 9.817 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -3.369 -15.112 9.851 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -5.036 -15.236 10.149 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -4.413 -15.649 8.624 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.852 -8.638 7.976 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.298 -7.884 9.192 1.00 0.01 C ATOM 2439 C LYS A 154 -10.779 -7.480 9.091 1.00 0.01 C ATOM 2440 O LYS A 154 -11.394 -7.518 8.040 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.437 -6.624 9.329 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.806 -5.875 10.617 1.00 0.48 C ATOM 2443 CD LYS A 154 -7.670 -4.921 11.000 1.00 0.97 C ATOM 2444 CE LYS A 154 -8.158 -3.953 12.082 1.00 1.44 C ATOM 2445 NZ LYS A 154 -8.648 -4.733 13.255 1.00 2.28 N ATOM 0 H LYS A 154 -9.162 -8.243 7.088 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.184 -8.528 10.064 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.381 -6.895 9.345 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.586 -5.976 8.466 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.731 -5.316 10.473 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.986 -6.585 11.424 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -6.813 -5.487 11.364 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -7.337 -4.365 10.124 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -7.348 -3.289 12.385 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -8.957 -3.323 11.690 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -8.708 -4.110 14.086 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -9.590 -5.121 13.045 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -7.989 -5.512 13.454 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.336 -7.056 10.190 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.764 -6.596 10.216 1.00 0.01 C ATOM 2461 C GLU A 155 -12.775 -5.081 10.448 1.00 0.01 C ATOM 2462 O GLU A 155 -12.466 -4.617 11.527 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.505 -7.300 11.359 1.00 0.01 C ATOM 2464 CG GLU A 155 -13.100 -8.774 11.397 1.00 0.01 C ATOM 2465 CD GLU A 155 -13.916 -9.500 12.472 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -14.763 -8.862 13.074 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -13.680 -10.680 12.677 1.00 0.01 O ATOM 0 H GLU A 155 -10.859 -7.006 11.090 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.258 -6.835 9.274 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -13.268 -6.822 12.309 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -14.582 -7.211 11.218 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -13.270 -9.234 10.424 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -12.035 -8.864 11.611 1.00 0.01 H new ATOM 2474 N TYR A 156 -13.109 -4.300 9.444 1.00 0.00 N ATOM 2475 CA TYR A 156 -13.114 -2.812 9.616 1.00 0.01 C ATOM 2476 C TYR A 156 -14.535 -2.314 9.878 1.00 0.01 C ATOM 2477 O TYR A 156 -15.408 -2.443 9.040 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.561 -2.168 8.343 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.132 -2.611 8.131 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -10.102 -2.029 8.877 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.840 -3.605 7.188 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.779 -2.439 8.681 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.517 -4.016 6.993 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.485 -3.434 7.739 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.181 -3.839 7.548 1.00 0.01 O ATOM 0 H TYR A 156 -13.377 -4.629 8.517 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.492 -2.541 10.469 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.171 -2.451 7.485 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.608 -1.082 8.423 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.328 -1.263 9.604 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.636 -4.054 6.612 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.984 -1.988 9.256 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.292 -4.783 6.267 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.153 -4.537 6.860 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.793 -1.786 11.047 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.176 -1.330 11.377 1.00 0.01 C ATOM 2497 C ARG A 157 -16.382 0.145 11.017 1.00 0.00 C ATOM 2498 O ARG A 157 -17.490 0.561 10.741 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.411 -1.516 12.880 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.833 -2.861 13.325 1.00 0.01 C ATOM 2501 CD ARG A 157 -16.275 -3.154 14.761 1.00 0.00 C ATOM 2502 NE ARG A 157 -15.470 -4.282 15.311 1.00 0.01 N ATOM 2503 CZ ARG A 157 -15.460 -4.510 16.596 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -16.153 -3.749 17.398 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -14.756 -5.499 17.078 1.00 0.01 N ATOM 0 H ARG A 157 -14.105 -1.651 11.788 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.883 -1.923 10.796 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -15.941 -0.705 13.435 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -17.478 -1.476 13.100 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -16.173 -3.654 12.659 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -14.745 -2.840 13.265 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -16.146 -2.266 15.380 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -17.335 -3.406 14.782 1.00 0.00 H new ATOM 0 HE ARG A 157 -14.927 -4.875 14.683 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.702 -2.977 17.021 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -16.146 -3.926 18.402 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -14.214 -6.093 16.450 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -14.748 -5.677 18.082 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.338 0.943 11.011 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.484 2.396 10.658 1.00 0.01 C ATOM 2521 C LYS A 158 -14.503 2.728 9.518 1.00 0.01 C ATOM 2522 O LYS A 158 -13.478 2.093 9.398 1.00 0.01 O ATOM 2523 CB LYS A 158 -15.139 3.237 11.899 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.353 3.305 12.832 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.943 3.940 14.160 1.00 1.44 C ATOM 2526 CE LYS A 158 -17.177 4.112 15.049 1.00 2.13 C ATOM 2527 NZ LYS A 158 -17.717 2.771 15.412 1.00 2.54 N ATOM 0 H LYS A 158 -14.387 0.650 11.236 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.503 2.614 10.337 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.290 2.798 12.423 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.843 4.242 11.598 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -17.149 3.888 12.368 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.750 2.304 13.003 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -15.205 3.314 14.662 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.472 4.907 13.982 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -16.915 4.667 15.950 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -17.937 4.693 14.527 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -18.370 2.866 16.216 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -18.225 2.369 14.598 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -16.933 2.141 15.676 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.779 3.725 8.704 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.833 4.089 7.610 1.00 0.02 C ATOM 2543 C PRO A 159 -12.468 4.495 8.184 1.00 0.01 C ATOM 2544 O PRO A 159 -11.435 4.114 7.668 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.556 5.267 6.927 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.731 5.694 7.826 1.00 0.70 C ATOM 2547 CD PRO A 159 -16.020 4.545 8.804 1.00 0.28 C ATOM 0 HA PRO A 159 -13.611 3.275 6.920 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.869 6.100 6.778 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.918 4.972 5.942 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.483 6.605 8.371 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.612 5.913 7.223 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -16.188 4.907 9.818 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.906 3.979 8.516 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.441 5.265 9.233 1.00 0.01 N ATOM 2556 CA VAL A 160 -11.129 5.672 9.806 1.00 0.02 C ATOM 2557 C VAL A 160 -10.374 4.416 10.238 1.00 0.02 C ATOM 2558 O VAL A 160 -9.168 4.424 10.377 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.364 6.580 11.014 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -10.032 7.172 11.476 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.314 7.714 10.618 1.00 0.74 C ATOM 0 H VAL A 160 -13.263 5.628 9.716 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.544 6.214 9.063 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.804 6.000 11.825 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -10.200 7.819 12.337 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.353 6.366 11.755 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.592 7.753 10.666 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.484 8.363 11.477 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.872 8.293 9.807 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -13.264 7.294 10.287 1.00 0.74 H new ATOM 2571 N ASP A 161 -11.065 3.329 10.444 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.360 2.087 10.853 1.00 0.01 C ATOM 2573 C ASP A 161 -9.446 1.620 9.713 1.00 0.01 C ATOM 2574 O ASP A 161 -8.553 0.821 9.907 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.381 0.991 11.168 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.698 -0.139 11.940 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.488 -0.253 11.838 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.399 -0.872 12.620 1.00 0.00 O ATOM 0 H ASP A 161 -12.077 3.249 10.348 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.763 2.289 11.742 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -12.202 1.402 11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.812 0.605 10.244 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.655 2.134 8.524 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.789 1.744 7.366 1.00 0.01 C ATOM 2585 C TRP A 162 -7.675 2.793 7.234 1.00 0.01 C ATOM 2586 O TRP A 162 -6.936 2.793 6.269 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.623 1.762 6.053 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.915 0.391 5.492 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.134 -0.721 5.576 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -11.071 0.009 4.693 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.760 -1.755 4.900 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.953 -1.355 4.340 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.208 0.711 4.254 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.929 -1.997 3.574 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.190 0.067 3.482 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -13.049 -1.283 3.145 1.00 0.01 C ATOM 0 H TRP A 162 -10.389 2.808 8.305 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.382 0.746 7.530 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.566 2.275 6.241 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -9.088 2.344 5.303 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.184 -0.786 6.085 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.383 -2.700 4.826 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.327 1.753 4.512 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.818 -3.040 3.315 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -14.057 0.617 3.148 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.807 -1.773 2.552 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.529 3.672 8.181 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.447 4.684 8.073 1.00 0.01 C ATOM 2609 C GLY A 163 -6.854 5.774 7.081 1.00 0.01 C ATOM 2610 O GLY A 163 -6.049 6.585 6.667 1.00 0.01 O ATOM 0 H GLY A 163 -8.107 3.734 9.019 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.250 5.124 9.050 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.523 4.208 7.745 1.00 0.01 H new ATOM 2614 N ALA A 164 -8.101 5.774 6.672 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.575 6.782 5.677 1.00 0.02 C ATOM 2616 C ALA A 164 -9.303 7.922 6.388 1.00 0.01 C ATOM 2617 O ALA A 164 -10.029 7.721 7.341 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.563 6.104 4.728 1.00 0.01 C ATOM 0 H ALA A 164 -8.812 5.115 6.988 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.717 7.179 5.133 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.918 6.828 3.995 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -9.067 5.281 4.214 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.409 5.719 5.298 1.00 0.01 H new ATOM 2624 N ALA A 165 -9.114 9.121 5.912 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.786 10.298 6.530 1.00 0.01 C ATOM 2626 C ALA A 165 -11.195 10.452 5.953 1.00 0.02 C ATOM 2627 O ALA A 165 -11.981 11.244 6.435 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.982 11.565 6.233 1.00 0.59 C ATOM 0 H ALA A 165 -8.517 9.338 5.114 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.847 10.146 7.608 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.476 12.424 6.686 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.978 11.464 6.646 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.918 11.711 5.155 1.00 0.59 H new ATOM 2634 N SER A 166 -11.541 9.697 4.938 1.00 0.01 N ATOM 2635 CA SER A 166 -12.914 9.794 4.348 1.00 0.01 C ATOM 2636 C SER A 166 -13.358 8.387 3.894 1.00 0.02 C ATOM 2637 O SER A 166 -12.528 7.578 3.530 1.00 0.01 O ATOM 2638 CB SER A 166 -12.878 10.731 3.138 1.00 0.72 C ATOM 2639 OG SER A 166 -13.961 10.420 2.270 1.00 0.87 O ATOM 0 H SER A 166 -10.929 9.015 4.491 1.00 0.01 H new ATOM 0 HA SER A 166 -13.613 10.184 5.088 1.00 0.01 H new ATOM 0 HB2 SER A 166 -12.945 11.769 3.465 1.00 0.72 H new ATOM 0 HB3 SER A 166 -11.931 10.624 2.609 1.00 0.72 H new ATOM 0 HG SER A 166 -13.942 11.020 1.495 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.644 8.077 3.892 1.00 0.02 N ATOM 2646 CA PRO A 167 -15.104 6.726 3.444 1.00 0.01 C ATOM 2647 C PRO A 167 -15.064 6.573 1.915 1.00 0.01 C ATOM 2648 O PRO A 167 -15.768 5.757 1.346 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.554 6.709 3.950 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.992 8.171 4.118 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.724 9.014 4.336 1.00 0.22 C ATOM 0 HA PRO A 167 -14.479 5.915 3.818 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.202 6.192 3.243 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.625 6.175 4.897 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.532 8.513 3.235 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.670 8.273 4.965 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.737 9.930 3.745 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.605 9.309 5.379 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.281 7.374 1.243 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.247 7.288 -0.244 1.00 0.01 C ATOM 2661 C ALA A 168 -13.306 6.177 -0.725 1.00 0.01 C ATOM 2662 O ALA A 168 -12.132 6.136 -0.415 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.764 8.623 -0.812 1.00 0.18 C ATOM 0 H ALA A 168 -13.669 8.078 1.656 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.254 7.059 -0.592 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.737 8.567 -1.900 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.446 9.416 -0.507 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.764 8.839 -0.435 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.859 5.286 -1.502 1.00 0.01 N ATOM 2670 CA ILE A 169 -13.090 4.141 -2.075 1.00 0.01 C ATOM 2671 C ILE A 169 -13.685 3.860 -3.454 1.00 0.01 C ATOM 2672 O ILE A 169 -14.885 3.719 -3.588 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.265 2.918 -1.163 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.875 3.301 0.274 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.389 1.753 -1.653 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.854 2.052 1.157 1.00 3.99 C ATOM 0 H ILE A 169 -14.842 5.304 -1.772 1.00 0.01 H new ATOM 0 HA ILE A 169 -12.026 4.364 -2.153 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.307 2.598 -1.188 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.895 3.778 0.280 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.585 4.027 0.672 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.525 0.894 -0.996 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.678 1.482 -2.668 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.342 2.056 -1.643 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.577 2.330 2.174 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.843 1.594 1.163 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -12.127 1.341 0.764 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.875 3.822 -4.495 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.421 3.601 -5.876 1.00 0.01 C ATOM 2690 C GLN A 170 -13.004 2.253 -6.476 1.00 0.02 C ATOM 2691 O GLN A 170 -13.652 1.785 -7.392 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.933 4.726 -6.790 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.448 6.070 -6.265 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.938 6.203 -6.586 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.391 5.751 -7.619 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.724 6.806 -5.738 1.00 5.17 N ATOM 0 H GLN A 170 -11.862 3.935 -4.445 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.508 3.597 -5.797 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.844 4.732 -6.828 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.287 4.561 -7.808 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.289 6.138 -5.189 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.892 6.889 -6.722 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.344 7.185 -4.871 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.719 6.898 -5.942 1.00 5.17 H new ATOM 2705 N SER A 171 -11.968 1.593 -6.019 1.00 0.01 N ATOM 2706 CA SER A 171 -11.631 0.278 -6.660 1.00 0.01 C ATOM 2707 C SER A 171 -10.801 -0.582 -5.699 1.00 0.01 C ATOM 2708 O SER A 171 -10.188 -0.082 -4.777 1.00 0.01 O ATOM 2709 CB SER A 171 -10.827 0.535 -7.937 1.00 0.01 C ATOM 2710 OG SER A 171 -9.461 0.725 -7.600 1.00 0.02 O ATOM 0 H SER A 171 -11.358 1.891 -5.257 1.00 0.01 H new ATOM 0 HA SER A 171 -12.553 -0.251 -6.900 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.931 -0.307 -8.622 1.00 0.01 H new ATOM 0 HB3 SER A 171 -11.212 1.415 -8.452 1.00 0.01 H new ATOM 0 HG SER A 171 -9.146 1.573 -7.976 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.748 -1.876 -5.929 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.916 -2.756 -5.040 1.00 0.01 C ATOM 2718 C PHE A 172 -9.434 -3.999 -5.801 1.00 0.01 C ATOM 2719 O PHE A 172 -10.042 -4.424 -6.764 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.684 -3.168 -3.769 1.00 1.06 C ATOM 2721 CG PHE A 172 -12.085 -3.671 -4.072 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.271 -4.889 -4.742 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.200 -2.936 -3.643 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.566 -5.363 -4.988 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.494 -3.414 -3.885 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.677 -4.626 -4.558 1.00 1.92 C ATOM 0 H PHE A 172 -11.238 -2.356 -6.684 1.00 0.01 H new ATOM 0 HA PHE A 172 -9.046 -2.177 -4.730 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.127 -3.947 -3.248 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.746 -2.315 -3.094 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.415 -5.462 -5.068 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -13.060 -1.999 -3.125 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.708 -6.298 -5.510 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.350 -2.847 -3.552 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.675 -4.994 -4.746 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.328 -4.580 -5.384 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.789 -5.787 -6.096 1.00 0.01 C ATOM 2738 C ARG A 173 -7.145 -6.760 -5.102 1.00 0.01 C ATOM 2739 O ARG A 173 -6.637 -6.374 -4.069 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.700 -5.364 -7.085 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.220 -4.286 -8.038 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.125 -3.935 -9.057 1.00 0.01 C ATOM 2743 NE ARG A 173 -5.196 -2.932 -8.465 1.00 0.01 N ATOM 2744 CZ ARG A 173 -4.040 -2.704 -9.027 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -3.701 -3.349 -10.110 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -3.223 -1.827 -8.509 1.00 0.01 N ATOM 0 H ARG A 173 -7.778 -4.270 -4.583 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.622 -6.267 -6.610 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.834 -4.987 -6.540 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.365 -6.230 -7.656 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.112 -4.641 -8.554 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.508 -3.397 -7.477 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -5.575 -4.833 -9.339 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -6.575 -3.537 -9.967 1.00 0.01 H new ATOM 0 HE ARG A 173 -5.463 -2.424 -7.622 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -4.340 -4.032 -10.518 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -2.798 -3.170 -10.548 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -3.488 -1.320 -7.665 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -2.320 -1.649 -8.949 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.152 -8.025 -5.433 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.529 -9.050 -4.546 1.00 0.01 C ATOM 2762 C ARG A 174 -5.041 -9.194 -4.902 1.00 0.01 C ATOM 2763 O ARG A 174 -4.666 -9.133 -6.056 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.221 -10.399 -4.753 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.009 -10.868 -6.194 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.973 -12.014 -6.505 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.766 -12.472 -7.907 1.00 0.01 N ATOM 2768 CZ ARG A 174 -8.257 -13.615 -8.299 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.929 -14.359 -7.465 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -8.074 -14.015 -9.528 1.00 0.01 N ATOM 0 H ARG A 174 -7.567 -8.394 -6.288 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.635 -8.739 -3.507 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.820 -11.136 -4.057 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.287 -10.309 -4.542 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.175 -10.041 -6.885 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -5.979 -11.197 -6.333 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.808 -12.840 -5.813 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -9.003 -11.684 -6.367 1.00 0.01 H new ATOM 0 HE ARG A 174 -7.240 -11.892 -8.561 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -9.071 -14.047 -6.504 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -9.312 -15.253 -7.773 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -7.548 -13.434 -10.180 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.457 -14.909 -9.836 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.194 -9.413 -3.924 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.733 -9.589 -4.229 1.00 0.01 C ATOM 2786 C ILE A 175 -2.428 -11.082 -4.372 1.00 0.00 C ATOM 2787 O ILE A 175 -2.774 -11.875 -3.519 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.853 -9.018 -3.108 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.326 -7.610 -2.730 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.405 -8.947 -3.603 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.334 -6.983 -1.738 1.00 3.04 C ATOM 0 H ILE A 175 -4.445 -9.477 -2.937 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.513 -9.054 -5.153 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.922 -9.662 -2.232 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.404 -6.990 -3.623 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.320 -7.656 -2.286 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.230 -8.543 -2.814 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.062 -9.947 -3.868 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.351 -8.301 -4.479 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.671 -5.982 -1.470 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.278 -7.599 -0.841 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.348 -6.922 -2.199 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.780 -11.473 -5.441 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.446 -12.920 -5.644 1.00 0.00 C ATOM 2805 C VAL A 176 -0.003 -13.050 -6.139 1.00 0.01 C ATOM 2806 O VAL A 176 0.496 -12.208 -6.862 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.384 -13.521 -6.692 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.983 -14.973 -6.964 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -3.821 -13.479 -6.170 1.00 1.89 C ATOM 0 H VAL A 176 -1.466 -10.851 -6.186 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.561 -13.448 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.314 -12.946 -7.616 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.652 -15.401 -7.711 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -0.958 -15.004 -7.334 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -2.053 -15.549 -6.041 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -4.491 -13.907 -6.915 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -3.890 -14.055 -5.247 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -4.107 -12.445 -5.975 1.00 1.89 H new ATOM 2819 N GLU A 177 0.670 -14.100 -5.757 1.00 0.01 N ATOM 2820 CA GLU A 177 2.081 -14.292 -6.200 1.00 0.01 C ATOM 2821 C GLU A 177 2.096 -14.839 -7.628 1.00 0.01 C ATOM 2822 CB GLU A 177 2.778 -15.284 -5.267 1.00 2.15 C ATOM 2823 CG GLU A 177 1.893 -16.519 -5.085 1.00 3.19 C ATOM 2824 CD GLU A 177 2.678 -17.604 -4.348 1.00 4.20 C ATOM 2825 OE1 GLU A 177 3.754 -17.299 -3.859 1.00 4.89 O ATOM 2826 OE2 GLU A 177 2.192 -18.721 -4.285 1.00 4.77 O ATOM 0 H GLU A 177 0.302 -14.837 -5.155 1.00 0.01 H new ATOM 0 HA GLU A 177 2.605 -13.336 -6.171 1.00 0.01 H new ATOM 0 HB2 GLU A 177 3.744 -15.573 -5.682 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.973 -14.817 -4.302 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.997 -16.258 -4.522 1.00 3.19 H new ATOM 0 HG3 GLU A 177 1.563 -16.890 -6.056 1.00 3.19 H new TER 2833 GLU A 177