USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 957 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 978 THR OG1 : rot 180:sc= -0.145 USER MOD Set 1.2: A 984 SER OG : rot 136:sc= 0.0553 USER MOD Set 2.1: A 927 SER OG : rot 23:sc= 0.0545 USER MOD Set 2.2: A 942 SER OG : rot 160:sc= -2.97! USER MOD Single : A 901 HIS : no HE2:sc= -2.15 K(o=-2.1,f=-4.2!) USER MOD Single : A 903 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 907 HIS :FLIP no HD1:sc= -0.505 F(o=-3.4!,f=-0.51) USER MOD Single : A 912 LYS NZ :NH3+ -146:sc= -0.0516 (180deg=-0.432) USER MOD Single : A 914 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 THR OG1 : rot 2:sc= -1.09! USER MOD Single : A 916 GLN :FLIP amide:sc= -3.52! C(o=-4.7!,f=-3.5!) USER MOD Single : A 917 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 918 THR OG1 : rot -61:sc= 0.287 USER MOD Single : A 920 SER OG : rot 81:sc= 0.88 USER MOD Single : A 926 THR OG1 : rot 98:sc= 0.00672 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 930 TYR OH : rot 180:sc= -0.995 USER MOD Single : A 936 TYR OH : rot 180:sc=-0.00906 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 944 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 948 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 952 SER OG : rot 180:sc= 0 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ -169:sc= -0.128 (180deg=-0.329) USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 961 LYS NZ :NH3+ 163:sc= -0.121 (180deg=-0.571) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot 180:sc=-0.00658 USER MOD Single : A 971 ASN :FLIP amide:sc= -1.88! C(o=-3.1!,f=-1.9!) USER MOD Single : A 973 MET CE :methyl -161:sc= -0.192 (180deg=-0.786) USER MOD Single : A 975 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 981 GLN :FLIP amide:sc= -2.9! C(o=-7!,f=-2.9!) USER MOD Single : A 987 THR OG1 : rot 180:sc= -2.71! USER MOD Single : A 988 TYR OH : rot 70:sc= 0 USER MOD Single : A 989 SER OG : rot 180:sc= 0 USER MOD Single : A 991 THR OG1 : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-1.8!) USER MOD Single : A 999 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1000 SER OG : rot -48:sc= 0.971 USER MOD Single : A1001 SER OG : rot -170:sc= 0.0104 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1009 ASN : amide:sc= -0.399 K(o=-0.4,f=-4.5!) USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1012 HIS : no HE2:sc= -4.43! C(o=-4.4!,f=-8.2!) USER MOD Single : A1014 SER OG : rot 85:sc= 0.246 USER MOD Single : A1015 THR OG1 : rot 180:sc= 0 USER MOD Single : A1016 LYS NZ :NH3+ -165:sc= -0.0286 (180deg=-0.346) USER MOD Single : A1021 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 900 36.370 -7.008 -3.676 1.00 0.00 N ATOM 44 CA ALA A 900 34.922 -7.166 -3.763 1.00 0.00 C ATOM 45 C ALA A 900 34.195 -5.907 -3.307 1.00 0.00 C ATOM 46 O ALA A 900 34.540 -5.321 -2.281 1.00 0.00 O ATOM 47 CB ALA A 900 34.473 -8.349 -2.926 1.00 0.00 C ATOM 0 HA ALA A 900 34.670 -7.344 -4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 900 33.391 -8.457 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 900 34.953 -9.257 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 900 34.752 -8.185 -1.885 1.00 0.00 H new ATOM 53 N HIS A 901 33.179 -5.507 -4.066 1.00 0.00 N ATOM 54 CA HIS A 901 32.393 -4.325 -3.729 1.00 0.00 C ATOM 55 C HIS A 901 30.974 -4.435 -4.279 1.00 0.00 C ATOM 56 O HIS A 901 30.773 -4.760 -5.449 1.00 0.00 O ATOM 57 CB HIS A 901 33.053 -3.055 -4.276 1.00 0.00 C ATOM 58 CG HIS A 901 34.400 -2.770 -3.689 1.00 0.00 C ATOM 59 ND1 HIS A 901 35.538 -3.466 -4.035 1.00 0.00 N ATOM 60 CD2 HIS A 901 34.782 -1.865 -2.760 1.00 0.00 C ATOM 61 CE1 HIS A 901 36.564 -3.000 -3.343 1.00 0.00 C ATOM 62 NE2 HIS A 901 36.131 -2.028 -2.563 1.00 0.00 N ATOM 0 H HIS A 901 32.881 -5.983 -4.917 1.00 0.00 H new ATOM 0 HA HIS A 901 32.348 -4.264 -2.642 1.00 0.00 H new ATOM 0 HB2 HIS A 901 33.151 -3.145 -5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 901 32.397 -2.206 -4.085 1.00 0.00 H new ATOM 0 HD1 HIS A 901 35.582 -4.222 -4.718 1.00 0.00 H new ATOM 0 HD2 HIS A 901 34.145 -1.147 -2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 901 37.582 -3.354 -3.406 1.00 0.00 H new ATOM 71 N CYS A 902 29.995 -4.149 -3.425 1.00 0.00 N ATOM 72 CA CYS A 902 28.592 -4.202 -3.820 1.00 0.00 C ATOM 73 C CYS A 902 28.193 -2.913 -4.528 1.00 0.00 C ATOM 74 O CYS A 902 28.254 -1.836 -3.944 1.00 0.00 O ATOM 75 CB CYS A 902 27.703 -4.412 -2.590 1.00 0.00 C ATOM 76 SG CYS A 902 27.909 -3.141 -1.298 1.00 0.00 S ATOM 0 H CYS A 902 30.149 -3.878 -2.454 1.00 0.00 H new ATOM 0 HA CYS A 902 28.457 -5.040 -4.504 1.00 0.00 H new ATOM 0 HB2 CYS A 902 26.660 -4.427 -2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 902 27.920 -5.390 -2.161 1.00 0.00 H new ATOM 81 N GLN A 903 27.784 -3.022 -5.786 1.00 0.00 N ATOM 82 CA GLN A 903 27.382 -1.847 -6.547 1.00 0.00 C ATOM 83 C GLN A 903 26.024 -1.335 -6.096 1.00 0.00 C ATOM 84 O GLN A 903 25.349 -1.963 -5.281 1.00 0.00 O ATOM 85 CB GLN A 903 27.347 -2.143 -8.043 1.00 0.00 C ATOM 86 CG GLN A 903 26.524 -3.364 -8.409 1.00 0.00 C ATOM 87 CD GLN A 903 26.426 -3.575 -9.909 1.00 0.00 C ATOM 88 OE1 GLN A 903 26.976 -2.640 -10.678 1.00 0.00 O flip ATOM 89 NE2 GLN A 903 25.854 -4.562 -10.372 1.00 0.00 N flip ATOM 0 H GLN A 903 27.722 -3.903 -6.296 1.00 0.00 H new ATOM 0 HA GLN A 903 28.127 -1.074 -6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 903 26.944 -1.275 -8.566 1.00 0.00 H new ATOM 0 HB3 GLN A 903 28.367 -2.285 -8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 903 26.968 -4.247 -7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 903 25.521 -3.259 -7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 903 25.446 -5.256 -9.745 1.00 0.00 H new ATOM 0 HE22 GLN A 903 25.788 -4.686 -11.382 1.00 0.00 H new ATOM 98 N ALA A 904 25.636 -0.189 -6.640 1.00 0.00 N ATOM 99 CA ALA A 904 24.357 0.430 -6.312 1.00 0.00 C ATOM 100 C ALA A 904 23.222 -0.592 -6.345 1.00 0.00 C ATOM 101 O ALA A 904 23.135 -1.402 -7.268 1.00 0.00 O ATOM 102 CB ALA A 904 24.065 1.574 -7.271 1.00 0.00 C ATOM 0 H ALA A 904 26.193 0.334 -7.315 1.00 0.00 H new ATOM 0 HA ALA A 904 24.424 0.825 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 904 23.107 2.028 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 904 24.853 2.323 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 904 24.025 1.192 -8.291 1.00 0.00 H new ATOM 108 N PRO A 905 22.332 -0.564 -5.336 1.00 0.00 N ATOM 109 CA PRO A 905 21.196 -1.490 -5.258 1.00 0.00 C ATOM 110 C PRO A 905 20.386 -1.505 -6.536 1.00 0.00 C ATOM 111 O PRO A 905 20.113 -0.467 -7.137 1.00 0.00 O ATOM 112 CB PRO A 905 20.372 -0.949 -4.091 1.00 0.00 C ATOM 113 CG PRO A 905 21.357 -0.220 -3.244 1.00 0.00 C ATOM 114 CD PRO A 905 22.359 0.370 -4.196 1.00 0.00 C ATOM 0 HA PRO A 905 21.514 -2.523 -5.116 1.00 0.00 H new ATOM 0 HB2 PRO A 905 19.580 -0.286 -4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 905 19.892 -1.756 -3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 905 20.868 0.559 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 905 21.840 -0.895 -2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 905 22.082 1.380 -4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 905 23.351 0.431 -3.749 1.00 0.00 H new ATOM 122 N ASP A 906 20.034 -2.707 -6.953 1.00 0.00 N ATOM 123 CA ASP A 906 19.286 -2.909 -8.170 1.00 0.00 C ATOM 124 C ASP A 906 17.887 -2.310 -8.109 1.00 0.00 C ATOM 125 O ASP A 906 16.985 -2.869 -7.486 1.00 0.00 O ATOM 126 CB ASP A 906 19.194 -4.390 -8.453 1.00 0.00 C ATOM 127 CG ASP A 906 20.550 -5.038 -8.659 1.00 0.00 C ATOM 128 OD1 ASP A 906 21.569 -4.319 -8.590 1.00 0.00 O ATOM 129 OD2 ASP A 906 20.592 -6.264 -8.889 1.00 0.00 O ATOM 0 H ASP A 906 20.261 -3.568 -6.455 1.00 0.00 H new ATOM 0 HA ASP A 906 19.816 -2.394 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 906 18.684 -4.882 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 906 18.583 -4.547 -9.342 1.00 0.00 H new ATOM 134 N HIS A 907 17.737 -1.186 -8.801 1.00 0.00 N ATOM 135 CA HIS A 907 16.470 -0.448 -8.922 1.00 0.00 C ATOM 136 C HIS A 907 15.373 -0.923 -7.963 1.00 0.00 C ATOM 137 O HIS A 907 14.811 -2.004 -8.131 1.00 0.00 O ATOM 138 CB HIS A 907 15.961 -0.481 -10.372 1.00 0.00 C ATOM 139 CG HIS A 907 15.803 -1.852 -10.968 1.00 0.00 C ATOM 140 ND1 HIS A 907 16.039 -3.087 -10.461 1.00 0.00 N flip ATOM 141 CD2 HIS A 907 15.349 -2.055 -12.255 1.00 0.00 C flip ATOM 142 CE1 HIS A 907 15.727 -3.997 -11.440 1.00 0.00 C flip ATOM 143 NE2 HIS A 907 15.314 -3.350 -12.512 1.00 0.00 N flip ATOM 0 H HIS A 907 18.506 -0.747 -9.307 1.00 0.00 H new ATOM 0 HA HIS A 907 16.699 0.578 -8.632 1.00 0.00 H new ATOM 0 HB2 HIS A 907 14.998 0.028 -10.413 1.00 0.00 H new ATOM 0 HB3 HIS A 907 16.650 0.090 -10.994 1.00 0.00 H new ATOM 0 HD2 HIS A 907 15.066 -1.275 -12.946 1.00 0.00 H new ATOM 0 HE1 HIS A 907 15.807 -5.070 -11.347 1.00 0.00 H new ATOM 0 HE2 HIS A 907 15.018 -3.777 -13.390 1.00 0.00 H new ATOM 152 N PHE A 908 15.036 -0.088 -6.984 1.00 0.00 N ATOM 153 CA PHE A 908 13.973 -0.420 -6.041 1.00 0.00 C ATOM 154 C PHE A 908 12.631 0.083 -6.561 1.00 0.00 C ATOM 155 O PHE A 908 12.509 1.230 -6.991 1.00 0.00 O ATOM 156 CB PHE A 908 14.258 0.161 -4.656 1.00 0.00 C ATOM 157 CG PHE A 908 15.210 -0.668 -3.839 1.00 0.00 C ATOM 158 CD1 PHE A 908 16.368 -1.184 -4.401 1.00 0.00 C ATOM 159 CD2 PHE A 908 14.939 -0.938 -2.507 1.00 0.00 C ATOM 160 CE1 PHE A 908 17.235 -1.953 -3.649 1.00 0.00 C ATOM 161 CE2 PHE A 908 15.803 -1.706 -1.751 1.00 0.00 C ATOM 162 CZ PHE A 908 16.953 -2.214 -2.322 1.00 0.00 C ATOM 0 H PHE A 908 15.480 0.816 -6.824 1.00 0.00 H new ATOM 0 HA PHE A 908 13.933 -1.505 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 908 14.669 1.164 -4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 908 13.318 0.261 -4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 908 16.594 -0.983 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 908 14.041 -0.543 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 908 18.133 -2.350 -4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 908 15.579 -1.909 -0.714 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.630 -2.814 -1.733 1.00 0.00 H new ATOM 172 N LEU A 909 11.633 -0.790 -6.536 1.00 0.00 N ATOM 173 CA LEU A 909 10.300 -0.450 -7.023 1.00 0.00 C ATOM 174 C LEU A 909 9.556 0.444 -6.045 1.00 0.00 C ATOM 175 O LEU A 909 9.304 1.615 -6.323 1.00 0.00 O ATOM 176 CB LEU A 909 9.486 -1.719 -7.259 1.00 0.00 C ATOM 177 CG LEU A 909 9.993 -2.630 -8.375 1.00 0.00 C ATOM 178 CD1 LEU A 909 9.923 -1.922 -9.720 1.00 0.00 C ATOM 179 CD2 LEU A 909 11.408 -3.110 -8.094 1.00 0.00 C ATOM 0 H LEU A 909 11.721 -1.743 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 909 10.425 0.093 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 909 9.460 -2.291 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 909 8.459 -1.433 -7.486 1.00 0.00 H new ATOM 0 HG LEU A 909 9.345 -3.505 -8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 909 10.289 -2.588 -10.501 1.00 0.00 H new ATOM 0 HD12 LEU A 909 8.890 -1.646 -9.933 1.00 0.00 H new ATOM 0 HD13 LEU A 909 10.540 -1.024 -9.691 1.00 0.00 H new ATOM 0 HD21 LEU A 909 11.741 -3.756 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 909 12.075 -2.251 -8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 909 11.424 -3.667 -7.157 1.00 0.00 H new ATOM 191 N PHE A 910 9.200 -0.124 -4.898 1.00 0.00 N ATOM 192 CA PHE A 910 8.478 0.615 -3.876 1.00 0.00 C ATOM 193 C PHE A 910 9.443 1.381 -2.989 1.00 0.00 C ATOM 194 O PHE A 910 9.112 1.742 -1.860 1.00 0.00 O ATOM 195 CB PHE A 910 7.625 -0.343 -3.037 1.00 0.00 C ATOM 196 CG PHE A 910 8.351 -1.585 -2.592 1.00 0.00 C ATOM 197 CD1 PHE A 910 9.546 -1.502 -1.893 1.00 0.00 C ATOM 198 CD2 PHE A 910 7.834 -2.838 -2.877 1.00 0.00 C ATOM 199 CE1 PHE A 910 10.210 -2.645 -1.488 1.00 0.00 C ATOM 200 CE2 PHE A 910 8.493 -3.984 -2.475 1.00 0.00 C ATOM 201 CZ PHE A 910 9.682 -3.888 -1.779 1.00 0.00 C ATOM 0 H PHE A 910 9.401 -1.094 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 910 7.820 1.333 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.262 0.187 -2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 910 6.749 -0.635 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 910 9.963 -0.533 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 910 6.904 -2.920 -3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 910 11.140 -2.566 -0.945 1.00 0.00 H new ATOM 0 HE2 PHE A 910 8.078 -4.954 -2.705 1.00 0.00 H new ATOM 0 HZ PHE A 910 10.198 -4.783 -1.463 1.00 0.00 H new ATOM 211 N ALA A 911 10.640 1.624 -3.509 1.00 0.00 N ATOM 212 CA ALA A 911 11.658 2.344 -2.753 1.00 0.00 C ATOM 213 C ALA A 911 12.585 3.149 -3.659 1.00 0.00 C ATOM 214 O ALA A 911 12.821 2.784 -4.810 1.00 0.00 O ATOM 215 CB ALA A 911 12.464 1.374 -1.907 1.00 0.00 C ATOM 0 H ALA A 911 10.929 1.336 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 911 11.143 3.052 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 911 13.221 1.922 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.801 0.859 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.950 0.643 -2.554 1.00 0.00 H new ATOM 221 N LYS A 912 13.107 4.248 -3.120 1.00 0.00 N ATOM 222 CA LYS A 912 14.014 5.116 -3.863 1.00 0.00 C ATOM 223 C LYS A 912 15.141 5.618 -2.961 1.00 0.00 C ATOM 224 O LYS A 912 14.908 5.997 -1.812 1.00 0.00 O ATOM 225 CB LYS A 912 13.248 6.297 -4.462 1.00 0.00 C ATOM 226 CG LYS A 912 12.484 7.115 -3.433 1.00 0.00 C ATOM 227 CD LYS A 912 11.713 8.251 -4.084 1.00 0.00 C ATOM 228 CE LYS A 912 10.916 9.044 -3.061 1.00 0.00 C ATOM 229 NZ LYS A 912 9.919 8.192 -2.355 1.00 0.00 N ATOM 0 H LYS A 912 12.916 4.559 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 912 14.455 4.537 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 912 13.951 6.948 -4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 912 12.548 5.923 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 912 11.793 6.468 -2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 912 13.181 7.521 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 912 12.407 8.915 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 912 11.038 7.848 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 912 11.597 9.486 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 912 10.403 9.867 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 9.072 8.755 -2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 9.656 7.390 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 10.332 7.835 -1.470 1.00 0.00 H new ATOM 243 N LEU A 913 16.363 5.603 -3.492 1.00 0.00 N ATOM 244 CA LEU A 913 17.543 6.041 -2.748 1.00 0.00 C ATOM 245 C LEU A 913 17.287 7.351 -2.009 1.00 0.00 C ATOM 246 O LEU A 913 16.650 8.262 -2.537 1.00 0.00 O ATOM 247 CB LEU A 913 18.742 6.187 -3.697 1.00 0.00 C ATOM 248 CG LEU A 913 20.090 6.520 -3.037 1.00 0.00 C ATOM 249 CD1 LEU A 913 20.168 7.990 -2.654 1.00 0.00 C ATOM 250 CD2 LEU A 913 20.337 5.625 -1.829 1.00 0.00 C ATOM 0 H LEU A 913 16.562 5.290 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 913 17.769 5.280 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.853 5.257 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 913 18.513 6.968 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 913 20.877 6.327 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 913 21.133 8.194 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.058 8.605 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 913 19.370 8.226 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 913 21.296 5.879 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 913 19.542 5.773 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 913 20.349 4.582 -2.145 1.00 0.00 H new ATOM 262 N LYS A 914 17.801 7.433 -0.784 1.00 0.00 N ATOM 263 CA LYS A 914 17.647 8.624 0.047 1.00 0.00 C ATOM 264 C LYS A 914 18.828 8.775 0.997 1.00 0.00 C ATOM 265 O LYS A 914 18.662 8.814 2.217 1.00 0.00 O ATOM 266 CB LYS A 914 16.341 8.570 0.835 1.00 0.00 C ATOM 267 CG LYS A 914 15.105 8.750 -0.029 1.00 0.00 C ATOM 268 CD LYS A 914 15.064 10.129 -0.674 1.00 0.00 C ATOM 269 CE LYS A 914 15.012 11.236 0.368 1.00 0.00 C ATOM 270 NZ LYS A 914 14.991 12.587 -0.258 1.00 0.00 N ATOM 0 H LYS A 914 18.332 6.682 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 914 17.618 9.492 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 914 16.277 7.613 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 914 16.355 9.345 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 914 15.089 7.985 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 914 14.212 8.606 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 914 15.944 10.263 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 914 14.193 10.201 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 914 14.125 11.109 0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 914 15.876 11.155 1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 14.956 13.314 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 15.850 12.718 -0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 14.153 12.674 -0.868 1.00 0.00 H new ATOM 284 N THR A 915 20.020 8.854 0.420 1.00 0.00 N ATOM 285 CA THR A 915 21.254 8.992 1.187 1.00 0.00 C ATOM 286 C THR A 915 22.423 9.356 0.276 1.00 0.00 C ATOM 287 O THR A 915 22.592 8.772 -0.796 1.00 0.00 O ATOM 288 CB THR A 915 21.593 7.687 1.940 1.00 0.00 C ATOM 289 OG1 THR A 915 20.694 7.505 3.039 1.00 0.00 O ATOM 290 CG2 THR A 915 23.028 7.697 2.445 1.00 0.00 C ATOM 0 H THR A 915 20.160 8.824 -0.590 1.00 0.00 H new ATOM 0 HA THR A 915 21.094 9.791 1.911 1.00 0.00 H new ATOM 0 HB THR A 915 21.484 6.859 1.240 1.00 0.00 H new ATOM 0 HG1 THR A 915 20.042 8.236 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 915 23.235 6.765 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 915 23.710 7.797 1.601 1.00 0.00 H new ATOM 0 HG23 THR A 915 23.168 8.536 3.126 1.00 0.00 H new ATOM 298 N GLN A 916 23.227 10.326 0.708 1.00 0.00 N ATOM 299 CA GLN A 916 24.381 10.767 -0.070 1.00 0.00 C ATOM 300 C GLN A 916 25.296 9.588 -0.378 1.00 0.00 C ATOM 301 O GLN A 916 25.530 8.735 0.480 1.00 0.00 O ATOM 302 CB GLN A 916 25.158 11.854 0.676 1.00 0.00 C ATOM 303 CG GLN A 916 25.840 11.366 1.942 1.00 0.00 C ATOM 304 CD GLN A 916 24.862 10.934 3.016 1.00 0.00 C ATOM 305 OE1 GLN A 916 24.999 9.698 3.480 1.00 0.00 O flip ATOM 306 NE2 GLN A 916 23.997 11.707 3.430 1.00 0.00 N flip ATOM 0 H GLN A 916 23.100 10.820 1.591 1.00 0.00 H new ATOM 0 HA GLN A 916 24.017 11.186 -1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 916 25.911 12.272 0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 916 24.475 12.664 0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 916 26.493 10.529 1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 916 26.474 12.160 2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 916 23.928 12.649 3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 916 23.350 11.405 4.158 1.00 0.00 H new ATOM 315 N THR A 917 25.804 9.538 -1.607 1.00 0.00 N ATOM 316 CA THR A 917 26.683 8.450 -2.020 1.00 0.00 C ATOM 317 C THR A 917 27.669 8.907 -3.091 1.00 0.00 C ATOM 318 O THR A 917 28.878 8.797 -2.905 1.00 0.00 O ATOM 319 CB THR A 917 25.873 7.261 -2.579 1.00 0.00 C ATOM 320 OG1 THR A 917 25.201 7.648 -3.784 1.00 0.00 O ATOM 321 CG2 THR A 917 24.849 6.765 -1.569 1.00 0.00 C ATOM 0 H THR A 917 25.623 10.235 -2.330 1.00 0.00 H new ATOM 0 HA THR A 917 27.231 8.137 -1.131 1.00 0.00 H new ATOM 0 HB THR A 917 26.572 6.452 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 917 24.691 6.887 -4.133 1.00 0.00 H new ATOM 0 HG21 THR A 917 24.295 5.927 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 917 25.360 6.440 -0.663 1.00 0.00 H new ATOM 0 HG23 THR A 917 24.157 7.572 -1.326 1.00 0.00 H new ATOM 329 N THR A 918 27.131 9.419 -4.201 1.00 0.00 N ATOM 330 CA THR A 918 27.927 9.909 -5.335 1.00 0.00 C ATOM 331 C THR A 918 28.643 8.774 -6.075 1.00 0.00 C ATOM 332 O THR A 918 28.559 8.678 -7.299 1.00 0.00 O ATOM 333 CB THR A 918 28.967 10.970 -4.911 1.00 0.00 C ATOM 334 OG1 THR A 918 30.042 10.362 -4.185 1.00 0.00 O ATOM 335 CG2 THR A 918 28.320 12.048 -4.056 1.00 0.00 C ATOM 0 H THR A 918 26.125 9.507 -4.341 1.00 0.00 H new ATOM 0 HA THR A 918 27.209 10.374 -6.011 1.00 0.00 H new ATOM 0 HB THR A 918 29.364 11.428 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 918 29.691 9.943 -3.372 1.00 0.00 H new ATOM 0 HG21 THR A 918 29.071 12.784 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 918 27.530 12.538 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 918 27.895 11.595 -3.160 1.00 0.00 H new ATOM 343 N ALA A 919 29.344 7.922 -5.334 1.00 0.00 N ATOM 344 CA ALA A 919 30.070 6.803 -5.927 1.00 0.00 C ATOM 345 C ALA A 919 29.116 5.736 -6.453 1.00 0.00 C ATOM 346 O ALA A 919 28.033 5.532 -5.903 1.00 0.00 O ATOM 347 CB ALA A 919 31.028 6.201 -4.910 1.00 0.00 C ATOM 0 H ALA A 919 29.425 7.985 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 919 30.642 7.184 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 919 31.564 5.367 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 919 31.742 6.960 -4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 919 30.466 5.844 -4.047 1.00 0.00 H new ATOM 353 N SER A 920 29.526 5.056 -7.522 1.00 0.00 N ATOM 354 CA SER A 920 28.707 4.008 -8.122 1.00 0.00 C ATOM 355 C SER A 920 28.943 2.672 -7.423 1.00 0.00 C ATOM 356 O SER A 920 27.995 1.983 -7.050 1.00 0.00 O ATOM 357 CB SER A 920 29.017 3.879 -9.614 1.00 0.00 C ATOM 358 OG SER A 920 30.379 3.555 -9.827 1.00 0.00 O ATOM 0 H SER A 920 30.419 5.213 -7.989 1.00 0.00 H new ATOM 0 HA SER A 920 27.659 4.283 -8.001 1.00 0.00 H new ATOM 0 HB2 SER A 920 28.384 3.109 -10.055 1.00 0.00 H new ATOM 0 HB3 SER A 920 28.779 4.815 -10.120 1.00 0.00 H new ATOM 0 HG SER A 920 30.511 2.593 -9.696 1.00 0.00 H new ATOM 364 N ASP A 921 30.212 2.318 -7.240 1.00 0.00 N ATOM 365 CA ASP A 921 30.565 1.071 -6.570 1.00 0.00 C ATOM 366 C ASP A 921 30.585 1.273 -5.060 1.00 0.00 C ATOM 367 O ASP A 921 31.295 2.141 -4.552 1.00 0.00 O ATOM 368 CB ASP A 921 31.929 0.570 -7.051 1.00 0.00 C ATOM 369 CG ASP A 921 31.947 0.280 -8.539 1.00 0.00 C ATOM 370 OD1 ASP A 921 31.703 1.215 -9.330 1.00 0.00 O ATOM 371 OD2 ASP A 921 32.208 -0.883 -8.914 1.00 0.00 O ATOM 0 H ASP A 921 31.010 2.875 -7.545 1.00 0.00 H new ATOM 0 HA ASP A 921 29.813 0.322 -6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 921 32.689 1.316 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 921 32.194 -0.335 -6.504 1.00 0.00 H new ATOM 376 N PHE A 922 29.796 0.478 -4.346 1.00 0.00 N ATOM 377 CA PHE A 922 29.721 0.587 -2.894 1.00 0.00 C ATOM 378 C PHE A 922 30.489 -0.529 -2.197 1.00 0.00 C ATOM 379 O PHE A 922 30.550 -1.658 -2.682 1.00 0.00 O ATOM 380 CB PHE A 922 28.268 0.593 -2.426 1.00 0.00 C ATOM 381 CG PHE A 922 27.514 1.805 -2.872 1.00 0.00 C ATOM 382 CD1 PHE A 922 27.083 1.935 -4.185 1.00 0.00 C ATOM 383 CD2 PHE A 922 27.249 2.825 -1.979 1.00 0.00 C ATOM 384 CE1 PHE A 922 26.400 3.063 -4.592 1.00 0.00 C ATOM 385 CE2 PHE A 922 26.567 3.953 -2.379 1.00 0.00 C ATOM 386 CZ PHE A 922 26.141 4.075 -3.688 1.00 0.00 C ATOM 0 H PHE A 922 29.201 -0.247 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 922 30.188 1.533 -2.621 1.00 0.00 H new ATOM 0 HB2 PHE A 922 27.767 -0.299 -2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.243 0.536 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 922 27.284 1.146 -4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.580 2.737 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 922 26.068 3.154 -5.616 1.00 0.00 H new ATOM 0 HE2 PHE A 922 26.365 4.742 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 922 25.607 4.959 -4.003 1.00 0.00 H new ATOM 396 N PRO A 923 31.084 -0.217 -1.035 1.00 0.00 N ATOM 397 CA PRO A 923 31.851 -1.171 -0.242 1.00 0.00 C ATOM 398 C PRO A 923 30.952 -2.013 0.659 1.00 0.00 C ATOM 399 O PRO A 923 29.999 -1.501 1.245 1.00 0.00 O ATOM 400 CB PRO A 923 32.773 -0.275 0.605 1.00 0.00 C ATOM 401 CG PRO A 923 32.410 1.143 0.264 1.00 0.00 C ATOM 402 CD PRO A 923 31.056 1.093 -0.383 1.00 0.00 C ATOM 0 HA PRO A 923 32.390 -1.885 -0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 923 32.633 -0.468 1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.821 -0.473 0.381 1.00 0.00 H new ATOM 0 HG2 PRO A 923 32.389 1.764 1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 923 33.146 1.580 -0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.251 1.169 0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 923 30.915 1.903 -1.099 1.00 0.00 H new ATOM 410 N ILE A 924 31.260 -3.302 0.771 1.00 0.00 N ATOM 411 CA ILE A 924 30.475 -4.202 1.610 1.00 0.00 C ATOM 412 C ILE A 924 30.341 -3.640 3.021 1.00 0.00 C ATOM 413 O ILE A 924 31.184 -2.864 3.474 1.00 0.00 O ATOM 414 CB ILE A 924 31.101 -5.604 1.678 1.00 0.00 C ATOM 415 CG1 ILE A 924 31.371 -6.136 0.268 1.00 0.00 C ATOM 416 CG2 ILE A 924 30.169 -6.537 2.431 1.00 0.00 C ATOM 417 CD1 ILE A 924 32.054 -7.487 0.246 1.00 0.00 C ATOM 0 H ILE A 924 32.045 -3.745 0.293 1.00 0.00 H new ATOM 0 HA ILE A 924 29.488 -4.286 1.155 1.00 0.00 H new ATOM 0 HB ILE A 924 32.053 -5.548 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 924 30.426 -6.208 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 924 31.990 -5.417 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 924 30.612 -7.532 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 924 30.014 -6.159 3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 924 29.212 -6.591 1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 924 32.212 -7.798 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 924 33.015 -7.417 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 924 31.427 -8.220 0.754 1.00 0.00 H new ATOM 429 N GLY A 925 29.262 -4.011 3.699 1.00 0.00 N ATOM 430 CA GLY A 925 29.019 -3.509 5.036 1.00 0.00 C ATOM 431 C GLY A 925 28.221 -2.226 4.988 1.00 0.00 C ATOM 432 O GLY A 925 27.302 -2.020 5.782 1.00 0.00 O ATOM 0 H GLY A 925 28.551 -4.651 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 925 28.480 -4.257 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 925 29.968 -3.334 5.542 1.00 0.00 H new ATOM 436 N THR A 926 28.565 -1.374 4.029 1.00 0.00 N ATOM 437 CA THR A 926 27.875 -0.109 3.836 1.00 0.00 C ATOM 438 C THR A 926 26.384 -0.343 3.618 1.00 0.00 C ATOM 439 O THR A 926 25.991 -1.262 2.900 1.00 0.00 O ATOM 440 CB THR A 926 28.452 0.655 2.629 1.00 0.00 C ATOM 441 OG1 THR A 926 29.795 1.069 2.906 1.00 0.00 O ATOM 442 CG2 THR A 926 27.599 1.864 2.290 1.00 0.00 C ATOM 0 H THR A 926 29.325 -1.541 3.369 1.00 0.00 H new ATOM 0 HA THR A 926 28.021 0.489 4.736 1.00 0.00 H new ATOM 0 HB THR A 926 28.451 -0.017 1.771 1.00 0.00 H new ATOM 0 HG1 THR A 926 30.423 0.434 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 926 28.029 2.385 1.435 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.588 1.539 2.046 1.00 0.00 H new ATOM 0 HG23 THR A 926 27.567 2.538 3.146 1.00 0.00 H new ATOM 450 N SER A 927 25.558 0.485 4.244 1.00 0.00 N ATOM 451 CA SER A 927 24.112 0.354 4.118 1.00 0.00 C ATOM 452 C SER A 927 23.492 1.627 3.544 1.00 0.00 C ATOM 453 O SER A 927 23.796 2.732 3.992 1.00 0.00 O ATOM 454 CB SER A 927 23.498 0.035 5.480 1.00 0.00 C ATOM 455 OG SER A 927 23.761 1.067 6.414 1.00 0.00 O ATOM 0 H SER A 927 25.863 1.252 4.843 1.00 0.00 H new ATOM 0 HA SER A 927 23.901 -0.463 3.429 1.00 0.00 H new ATOM 0 HB2 SER A 927 22.421 -0.098 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 927 23.901 -0.907 5.852 1.00 0.00 H new ATOM 0 HG SER A 927 23.951 1.901 5.935 1.00 0.00 H new ATOM 461 N LEU A 928 22.623 1.462 2.547 1.00 0.00 N ATOM 462 CA LEU A 928 21.965 2.603 1.911 1.00 0.00 C ATOM 463 C LEU A 928 20.500 2.713 2.324 1.00 0.00 C ATOM 464 O LEU A 928 19.778 1.718 2.372 1.00 0.00 O ATOM 465 CB LEU A 928 22.065 2.503 0.388 1.00 0.00 C ATOM 466 CG LEU A 928 23.479 2.629 -0.182 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.443 2.558 -1.702 1.00 0.00 C ATOM 468 CD2 LEU A 928 24.127 3.926 0.277 1.00 0.00 C ATOM 0 H LEU A 928 22.359 0.554 2.164 1.00 0.00 H new ATOM 0 HA LEU A 928 22.482 3.502 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 928 21.648 1.546 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.442 3.281 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 928 24.078 1.798 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 928 24.456 2.649 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 928 23.018 1.603 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 928 22.829 3.371 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 928 25.132 3.998 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 928 23.531 4.772 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 928 24.183 3.940 1.365 1.00 0.00 H new ATOM 480 N LYS A 929 20.072 3.938 2.618 1.00 0.00 N ATOM 481 CA LYS A 929 18.695 4.202 3.025 1.00 0.00 C ATOM 482 C LYS A 929 17.783 4.418 1.823 1.00 0.00 C ATOM 483 O LYS A 929 18.112 5.177 0.911 1.00 0.00 O ATOM 484 CB LYS A 929 18.643 5.437 3.925 1.00 0.00 C ATOM 485 CG LYS A 929 19.339 5.247 5.261 1.00 0.00 C ATOM 486 CD LYS A 929 19.290 6.513 6.100 1.00 0.00 C ATOM 487 CE LYS A 929 20.039 6.339 7.410 1.00 0.00 C ATOM 488 NZ LYS A 929 20.005 7.576 8.238 1.00 0.00 N ATOM 0 H LYS A 929 20.663 4.768 2.581 1.00 0.00 H new ATOM 0 HA LYS A 929 18.341 3.327 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 929 19.102 6.276 3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 929 17.601 5.703 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 929 18.866 4.430 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 929 20.377 4.960 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 929 19.724 7.340 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 929 18.252 6.776 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 929 19.601 5.514 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 929 21.075 6.069 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 20.527 7.416 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 20.446 8.358 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 19.018 7.820 8.458 1.00 0.00 H new ATOM 502 N TYR A 930 16.623 3.765 1.838 1.00 0.00 N ATOM 503 CA TYR A 930 15.650 3.908 0.758 1.00 0.00 C ATOM 504 C TYR A 930 14.254 4.149 1.324 1.00 0.00 C ATOM 505 O TYR A 930 13.763 3.372 2.141 1.00 0.00 O ATOM 506 CB TYR A 930 15.640 2.670 -0.144 1.00 0.00 C ATOM 507 CG TYR A 930 16.812 2.588 -1.096 1.00 0.00 C ATOM 508 CD1 TYR A 930 18.116 2.487 -0.627 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.609 2.611 -2.469 1.00 0.00 C ATOM 510 CE1 TYR A 930 19.183 2.413 -1.501 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.671 2.537 -3.349 1.00 0.00 C ATOM 512 CZ TYR A 930 18.955 2.439 -2.861 1.00 0.00 C ATOM 513 OH TYR A 930 20.015 2.371 -3.735 1.00 0.00 O ATOM 0 H TYR A 930 16.334 3.133 2.585 1.00 0.00 H new ATOM 0 HA TYR A 930 15.944 4.769 0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.632 1.778 0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.716 2.662 -0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 930 18.298 2.466 0.437 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.604 2.688 -2.856 1.00 0.00 H new ATOM 0 HE1 TYR A 930 20.191 2.335 -1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.495 2.556 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 930 19.682 2.400 -4.656 1.00 0.00 H new ATOM 523 N GLU A 931 13.622 5.235 0.885 1.00 0.00 N ATOM 524 CA GLU A 931 12.284 5.584 1.353 1.00 0.00 C ATOM 525 C GLU A 931 11.211 5.068 0.401 1.00 0.00 C ATOM 526 O GLU A 931 11.308 5.241 -0.815 1.00 0.00 O ATOM 527 CB GLU A 931 12.150 7.100 1.505 1.00 0.00 C ATOM 528 CG GLU A 931 13.098 7.696 2.532 1.00 0.00 C ATOM 529 CD GLU A 931 12.942 9.199 2.670 1.00 0.00 C ATOM 530 OE1 GLU A 931 12.082 9.775 1.969 1.00 0.00 O ATOM 531 OE2 GLU A 931 13.679 9.800 3.479 1.00 0.00 O ATOM 0 H GLU A 931 14.015 5.888 0.207 1.00 0.00 H new ATOM 0 HA GLU A 931 12.140 5.109 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 931 12.332 7.571 0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 931 11.125 7.339 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 931 12.921 7.226 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 931 14.125 7.466 2.249 1.00 0.00 H new ATOM 538 N CYS A 932 10.183 4.442 0.968 1.00 0.00 N ATOM 539 CA CYS A 932 9.079 3.910 0.179 1.00 0.00 C ATOM 540 C CYS A 932 8.406 5.012 -0.633 1.00 0.00 C ATOM 541 O CYS A 932 8.385 6.173 -0.222 1.00 0.00 O ATOM 542 CB CYS A 932 8.048 3.232 1.084 1.00 0.00 C ATOM 543 SG CYS A 932 8.679 1.785 1.991 1.00 0.00 S ATOM 0 H CYS A 932 10.093 4.291 1.973 1.00 0.00 H new ATOM 0 HA CYS A 932 9.489 3.171 -0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 932 7.677 3.963 1.803 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.197 2.922 0.477 1.00 0.00 H new ATOM 548 N ARG A 933 7.854 4.639 -1.780 1.00 0.00 N ATOM 549 CA ARG A 933 7.173 5.596 -2.648 1.00 0.00 C ATOM 550 C ARG A 933 5.735 5.818 -2.177 1.00 0.00 C ATOM 551 O ARG A 933 5.214 5.030 -1.391 1.00 0.00 O ATOM 552 CB ARG A 933 7.180 5.098 -4.095 1.00 0.00 C ATOM 553 CG ARG A 933 8.573 4.887 -4.659 1.00 0.00 C ATOM 554 CD ARG A 933 8.527 4.547 -6.139 1.00 0.00 C ATOM 555 NE ARG A 933 7.928 5.621 -6.929 1.00 0.00 N ATOM 556 CZ ARG A 933 8.436 6.848 -7.018 1.00 0.00 C ATOM 557 NH1 ARG A 933 9.563 7.154 -6.387 1.00 0.00 N ATOM 558 NH2 ARG A 933 7.819 7.771 -7.743 1.00 0.00 N ATOM 0 H ARG A 933 7.863 3.682 -2.133 1.00 0.00 H new ATOM 0 HA ARG A 933 7.706 6.545 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 933 6.629 4.159 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 933 6.649 5.816 -4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 933 9.168 5.788 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 933 9.069 4.083 -4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 933 9.538 4.353 -6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 933 7.956 3.630 -6.283 1.00 0.00 H new ATOM 0 HE ARG A 933 7.070 5.418 -7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 933 10.044 6.447 -5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 933 9.948 8.096 -6.459 1.00 0.00 H new ATOM 0 HH21 ARG A 933 6.954 7.541 -8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 933 8.209 8.711 -7.811 1.00 0.00 H new ATOM 572 N PRO A 934 5.079 6.906 -2.641 1.00 0.00 N ATOM 573 CA PRO A 934 3.696 7.231 -2.255 1.00 0.00 C ATOM 574 C PRO A 934 2.679 6.217 -2.777 1.00 0.00 C ATOM 575 O PRO A 934 1.815 6.551 -3.586 1.00 0.00 O ATOM 576 CB PRO A 934 3.455 8.603 -2.888 1.00 0.00 C ATOM 577 CG PRO A 934 4.421 8.675 -4.017 1.00 0.00 C ATOM 578 CD PRO A 934 5.634 7.905 -3.572 1.00 0.00 C ATOM 0 HA PRO A 934 3.572 7.218 -1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 934 2.428 8.702 -3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 934 3.625 9.405 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 934 3.995 8.244 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 934 4.677 9.709 -4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 934 6.141 7.433 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 934 6.363 8.551 -3.082 1.00 0.00 H new ATOM 586 N GLU A 935 2.792 4.985 -2.289 1.00 0.00 N ATOM 587 CA GLU A 935 1.909 3.888 -2.668 1.00 0.00 C ATOM 588 C GLU A 935 2.078 2.743 -1.678 1.00 0.00 C ATOM 589 O GLU A 935 1.224 1.864 -1.574 1.00 0.00 O ATOM 590 CB GLU A 935 2.218 3.387 -4.086 1.00 0.00 C ATOM 591 CG GLU A 935 1.770 4.326 -5.194 1.00 0.00 C ATOM 592 CD GLU A 935 2.151 3.826 -6.574 1.00 0.00 C ATOM 593 OE1 GLU A 935 2.768 2.743 -6.666 1.00 0.00 O ATOM 594 OE2 GLU A 935 1.831 4.516 -7.564 1.00 0.00 O ATOM 0 H GLU A 935 3.507 4.718 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 935 0.882 4.253 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 935 3.292 3.225 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 935 1.737 2.419 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 935 0.688 4.451 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 935 2.213 5.309 -5.033 1.00 0.00 H new ATOM 601 N TYR A 936 3.197 2.767 -0.953 1.00 0.00 N ATOM 602 CA TYR A 936 3.502 1.741 0.038 1.00 0.00 C ATOM 603 C TYR A 936 3.878 2.390 1.370 1.00 0.00 C ATOM 604 O TYR A 936 3.705 3.596 1.550 1.00 0.00 O ATOM 605 CB TYR A 936 4.660 0.855 -0.438 1.00 0.00 C ATOM 606 CG TYR A 936 4.498 0.304 -1.841 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.532 1.142 -2.950 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.314 -1.056 -2.053 1.00 0.00 C ATOM 609 CE1 TYR A 936 4.388 0.640 -4.228 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.168 -1.566 -3.329 1.00 0.00 C ATOM 611 CZ TYR A 936 4.205 -0.714 -4.413 1.00 0.00 C ATOM 612 OH TYR A 936 4.061 -1.218 -5.685 1.00 0.00 O ATOM 0 H TYR A 936 3.910 3.492 -1.036 1.00 0.00 H new ATOM 0 HA TYR A 936 2.614 1.124 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.584 1.432 -0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 936 4.771 0.021 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 936 4.673 2.203 -2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 936 4.285 -1.726 -1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 936 4.419 1.305 -5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.026 -2.626 -3.477 1.00 0.00 H new ATOM 0 HH TYR A 936 3.942 -2.190 -5.640 1.00 0.00 H new ATOM 622 N TYR A 937 4.402 1.589 2.295 1.00 0.00 N ATOM 623 CA TYR A 937 4.810 2.096 3.603 1.00 0.00 C ATOM 624 C TYR A 937 5.973 1.283 4.166 1.00 0.00 C ATOM 625 O TYR A 937 5.990 0.057 4.061 1.00 0.00 O ATOM 626 CB TYR A 937 3.624 2.091 4.580 1.00 0.00 C ATOM 627 CG TYR A 937 2.994 0.732 4.809 1.00 0.00 C ATOM 628 CD1 TYR A 937 3.628 -0.236 5.579 1.00 0.00 C ATOM 629 CD2 TYR A 937 1.758 0.420 4.255 1.00 0.00 C ATOM 630 CE1 TYR A 937 3.050 -1.474 5.788 1.00 0.00 C ATOM 631 CE2 TYR A 937 1.174 -0.816 4.460 1.00 0.00 C ATOM 632 CZ TYR A 937 1.825 -1.759 5.228 1.00 0.00 C ATOM 633 OH TYR A 937 1.246 -2.990 5.434 1.00 0.00 O ATOM 0 H TYR A 937 4.554 0.589 2.164 1.00 0.00 H new ATOM 0 HA TYR A 937 5.147 3.125 3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 937 3.960 2.486 5.539 1.00 0.00 H new ATOM 0 HB3 TYR A 937 2.860 2.771 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 937 4.589 -0.017 6.022 1.00 0.00 H new ATOM 0 HD2 TYR A 937 1.245 1.156 3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 937 3.557 -2.215 6.388 1.00 0.00 H new ATOM 0 HE2 TYR A 937 0.213 -1.042 4.021 1.00 0.00 H new ATOM 0 HH TYR A 937 0.383 -3.027 4.971 1.00 0.00 H new ATOM 643 N GLY A 938 6.946 1.968 4.761 1.00 0.00 N ATOM 644 CA GLY A 938 8.089 1.276 5.327 1.00 0.00 C ATOM 645 C GLY A 938 9.235 2.202 5.686 1.00 0.00 C ATOM 646 O GLY A 938 10.297 1.737 6.093 1.00 0.00 O ATOM 0 H GLY A 938 6.963 2.983 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 938 7.773 0.738 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 938 8.443 0.531 4.614 1.00 0.00 H new ATOM 650 N ARG A 939 9.010 3.511 5.534 1.00 0.00 N ATOM 651 CA ARG A 939 10.017 4.537 5.838 1.00 0.00 C ATOM 652 C ARG A 939 11.401 4.186 5.261 1.00 0.00 C ATOM 653 O ARG A 939 11.598 3.104 4.710 1.00 0.00 O ATOM 654 CB ARG A 939 10.079 4.805 7.354 1.00 0.00 C ATOM 655 CG ARG A 939 10.384 3.595 8.217 1.00 0.00 C ATOM 656 CD ARG A 939 11.839 3.162 8.118 1.00 0.00 C ATOM 657 NE ARG A 939 12.108 1.983 8.939 1.00 0.00 N ATOM 658 CZ ARG A 939 13.305 1.415 9.048 1.00 0.00 C ATOM 659 NH1 ARG A 939 14.345 1.923 8.401 1.00 0.00 N ATOM 660 NH2 ARG A 939 13.463 0.340 9.807 1.00 0.00 N ATOM 0 H ARG A 939 8.125 3.891 5.197 1.00 0.00 H new ATOM 0 HA ARG A 939 9.706 5.458 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 939 10.839 5.564 7.541 1.00 0.00 H new ATOM 0 HB3 ARG A 939 9.124 5.225 7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 939 10.146 3.824 9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 939 9.741 2.768 7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 939 12.085 2.945 7.078 1.00 0.00 H new ATOM 0 HD3 ARG A 939 12.485 3.981 8.434 1.00 0.00 H new ATOM 0 HE ARG A 939 11.332 1.572 9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 939 14.228 2.752 7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 939 15.262 1.485 8.486 1.00 0.00 H new ATOM 0 HH21 ARG A 939 12.666 -0.052 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 939 14.382 -0.095 9.890 1.00 0.00 H new ATOM 674 N PRO A 940 12.379 5.113 5.352 1.00 0.00 N ATOM 675 CA PRO A 940 13.729 4.889 4.816 1.00 0.00 C ATOM 676 C PRO A 940 14.419 3.678 5.426 1.00 0.00 C ATOM 677 O PRO A 940 15.118 3.793 6.434 1.00 0.00 O ATOM 678 CB PRO A 940 14.496 6.163 5.179 1.00 0.00 C ATOM 679 CG PRO A 940 13.673 6.842 6.219 1.00 0.00 C ATOM 680 CD PRO A 940 12.250 6.447 5.956 1.00 0.00 C ATOM 0 HA PRO A 940 13.691 4.688 3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 940 15.491 5.928 5.558 1.00 0.00 H new ATOM 0 HB3 PRO A 940 14.630 6.802 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 940 13.982 6.538 7.219 1.00 0.00 H new ATOM 0 HG3 PRO A 940 13.792 7.924 6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 940 11.664 6.418 6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 940 11.755 7.148 5.283 1.00 0.00 H new ATOM 688 N PHE A 941 14.232 2.518 4.807 1.00 0.00 N ATOM 689 CA PHE A 941 14.852 1.293 5.292 1.00 0.00 C ATOM 690 C PHE A 941 16.223 1.086 4.651 1.00 0.00 C ATOM 691 O PHE A 941 16.351 1.014 3.428 1.00 0.00 O ATOM 692 CB PHE A 941 13.940 0.093 5.030 1.00 0.00 C ATOM 693 CG PHE A 941 13.519 -0.057 3.595 1.00 0.00 C ATOM 694 CD1 PHE A 941 12.365 0.555 3.136 1.00 0.00 C ATOM 695 CD2 PHE A 941 14.267 -0.821 2.714 1.00 0.00 C ATOM 696 CE1 PHE A 941 11.964 0.409 1.821 1.00 0.00 C ATOM 697 CE2 PHE A 941 13.872 -0.969 1.398 1.00 0.00 C ATOM 698 CZ PHE A 941 12.720 -0.354 0.952 1.00 0.00 C ATOM 0 H PHE A 941 13.658 2.401 3.972 1.00 0.00 H new ATOM 0 HA PHE A 941 14.997 1.385 6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 941 14.454 -0.816 5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.049 0.185 5.651 1.00 0.00 H new ATOM 0 HD1 PHE A 941 11.772 1.153 3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 941 15.168 -1.306 3.059 1.00 0.00 H new ATOM 0 HE1 PHE A 941 11.062 0.890 1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 941 14.464 -1.565 0.720 1.00 0.00 H new ATOM 0 HZ PHE A 941 12.409 -0.469 -0.076 1.00 0.00 H new ATOM 708 N SER A 942 17.243 1.013 5.495 1.00 0.00 N ATOM 709 CA SER A 942 18.617 0.826 5.042 1.00 0.00 C ATOM 710 C SER A 942 18.870 -0.608 4.570 1.00 0.00 C ATOM 711 O SER A 942 18.140 -1.530 4.933 1.00 0.00 O ATOM 712 CB SER A 942 19.587 1.187 6.165 1.00 0.00 C ATOM 713 OG SER A 942 20.925 1.152 5.711 1.00 0.00 O ATOM 0 H SER A 942 17.144 1.081 6.508 1.00 0.00 H new ATOM 0 HA SER A 942 18.780 1.487 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 942 19.354 2.182 6.545 1.00 0.00 H new ATOM 0 HB3 SER A 942 19.463 0.491 6.995 1.00 0.00 H new ATOM 0 HG SER A 942 21.489 1.678 6.315 1.00 0.00 H new ATOM 719 N ILE A 943 19.926 -0.787 3.775 1.00 0.00 N ATOM 720 CA ILE A 943 20.304 -2.108 3.271 1.00 0.00 C ATOM 721 C ILE A 943 21.818 -2.300 3.343 1.00 0.00 C ATOM 722 O ILE A 943 22.570 -1.728 2.553 1.00 0.00 O ATOM 723 CB ILE A 943 19.830 -2.335 1.820 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.058 -1.079 0.976 1.00 0.00 C ATOM 725 CG2 ILE A 943 18.366 -2.751 1.798 1.00 0.00 C ATOM 726 CD1 ILE A 943 19.676 -1.245 -0.480 1.00 0.00 C ATOM 0 H ILE A 943 20.537 -0.031 3.465 1.00 0.00 H new ATOM 0 HA ILE A 943 19.809 -2.840 3.909 1.00 0.00 H new ATOM 0 HB ILE A 943 20.418 -3.143 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 943 19.483 -0.257 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.109 -0.797 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 943 18.048 -2.907 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 943 18.242 -3.677 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 943 17.758 -1.968 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 943 19.865 -0.314 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 943 20.269 -2.045 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 943 18.618 -1.496 -0.552 1.00 0.00 H new ATOM 738 N THR A 944 22.249 -3.094 4.319 1.00 0.00 N ATOM 739 CA THR A 944 23.667 -3.371 4.547 1.00 0.00 C ATOM 740 C THR A 944 24.221 -4.469 3.640 1.00 0.00 C ATOM 741 O THR A 944 23.665 -5.565 3.574 1.00 0.00 O ATOM 742 CB THR A 944 23.906 -3.801 6.006 1.00 0.00 C ATOM 743 OG1 THR A 944 23.667 -2.701 6.893 1.00 0.00 O ATOM 744 CG2 THR A 944 25.323 -4.323 6.199 1.00 0.00 C ATOM 0 H THR A 944 21.626 -3.565 4.975 1.00 0.00 H new ATOM 0 HA THR A 944 24.187 -2.441 4.319 1.00 0.00 H new ATOM 0 HB THR A 944 23.209 -4.607 6.237 1.00 0.00 H new ATOM 0 HG1 THR A 944 23.820 -2.987 7.818 1.00 0.00 H new ATOM 0 HG21 THR A 944 25.463 -4.619 7.239 1.00 0.00 H new ATOM 0 HG22 THR A 944 25.485 -5.185 5.551 1.00 0.00 H new ATOM 0 HG23 THR A 944 26.037 -3.539 5.946 1.00 0.00 H new ATOM 752 N CYS A 945 25.360 -4.196 2.999 1.00 0.00 N ATOM 753 CA CYS A 945 26.020 -5.203 2.173 1.00 0.00 C ATOM 754 C CYS A 945 26.663 -6.223 3.095 1.00 0.00 C ATOM 755 O CYS A 945 27.295 -5.865 4.088 1.00 0.00 O ATOM 756 CB CYS A 945 27.061 -4.573 1.244 1.00 0.00 C ATOM 757 SG CYS A 945 26.359 -3.469 -0.025 1.00 0.00 S ATOM 0 H CYS A 945 25.838 -3.296 3.036 1.00 0.00 H new ATOM 0 HA CYS A 945 25.283 -5.688 1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 945 27.774 -4.010 1.845 1.00 0.00 H new ATOM 0 HB3 CYS A 945 27.619 -5.368 0.749 1.00 0.00 H new ATOM 762 N LEU A 946 26.437 -7.486 2.806 1.00 0.00 N ATOM 763 CA LEU A 946 26.930 -8.555 3.656 1.00 0.00 C ATOM 764 C LEU A 946 28.359 -8.977 3.384 1.00 0.00 C ATOM 765 O LEU A 946 29.203 -8.909 4.278 1.00 0.00 O ATOM 766 CB LEU A 946 25.974 -9.732 3.558 1.00 0.00 C ATOM 767 CG LEU A 946 24.575 -9.389 4.042 1.00 0.00 C ATOM 768 CD1 LEU A 946 24.674 -8.634 5.355 1.00 0.00 C ATOM 769 CD2 LEU A 946 23.837 -8.579 3.000 1.00 0.00 C ATOM 0 H LEU A 946 25.915 -7.801 1.989 1.00 0.00 H new ATOM 0 HA LEU A 946 26.961 -8.166 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 946 25.924 -10.070 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 946 26.365 -10.563 4.146 1.00 0.00 H new ATOM 0 HG LEU A 946 24.009 -10.307 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 946 23.673 -8.385 5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 946 25.175 -9.257 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 946 25.245 -7.717 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 946 22.837 -8.343 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 946 24.381 -7.654 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 946 23.761 -9.155 2.078 1.00 0.00 H new ATOM 781 N ASP A 947 28.625 -9.435 2.174 1.00 0.00 N ATOM 782 CA ASP A 947 29.961 -9.903 1.824 1.00 0.00 C ATOM 783 C ASP A 947 29.964 -10.566 0.453 1.00 0.00 C ATOM 784 O ASP A 947 30.918 -10.422 -0.313 1.00 0.00 O ATOM 785 CB ASP A 947 30.437 -10.899 2.887 1.00 0.00 C ATOM 786 CG ASP A 947 31.801 -11.494 2.585 1.00 0.00 C ATOM 787 OD1 ASP A 947 32.440 -11.059 1.603 1.00 0.00 O ATOM 788 OD2 ASP A 947 32.235 -12.389 3.339 1.00 0.00 O ATOM 0 H ASP A 947 27.941 -9.494 1.419 1.00 0.00 H new ATOM 0 HA ASP A 947 30.636 -9.048 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 947 30.473 -10.398 3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 947 29.708 -11.705 2.972 1.00 0.00 H new ATOM 793 N ASN A 948 28.893 -11.283 0.141 1.00 0.00 N ATOM 794 CA ASN A 948 28.784 -11.955 -1.146 1.00 0.00 C ATOM 795 C ASN A 948 28.290 -10.977 -2.203 1.00 0.00 C ATOM 796 O ASN A 948 27.506 -11.334 -3.083 1.00 0.00 O ATOM 797 CB ASN A 948 27.833 -13.149 -1.046 1.00 0.00 C ATOM 798 CG ASN A 948 28.281 -14.160 -0.009 1.00 0.00 C ATOM 799 OD1 ASN A 948 29.372 -14.723 -0.104 1.00 0.00 O ATOM 800 ND2 ASN A 948 27.439 -14.395 0.991 1.00 0.00 N ATOM 0 H ASN A 948 28.091 -11.414 0.758 1.00 0.00 H new ATOM 0 HA ASN A 948 29.769 -12.321 -1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 948 26.834 -12.794 -0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 948 27.763 -13.637 -2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 948 27.687 -15.065 1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 948 26.545 -13.906 1.030 1.00 0.00 H new ATOM 807 N LEU A 949 28.763 -9.737 -2.102 1.00 0.00 N ATOM 808 CA LEU A 949 28.388 -8.686 -3.035 1.00 0.00 C ATOM 809 C LEU A 949 26.875 -8.607 -3.186 1.00 0.00 C ATOM 810 O LEU A 949 26.357 -8.459 -4.293 1.00 0.00 O ATOM 811 CB LEU A 949 29.045 -8.924 -4.396 1.00 0.00 C ATOM 812 CG LEU A 949 30.574 -8.986 -4.371 1.00 0.00 C ATOM 813 CD1 LEU A 949 31.122 -9.184 -5.776 1.00 0.00 C ATOM 814 CD2 LEU A 949 31.151 -7.724 -3.747 1.00 0.00 C ATOM 0 H LEU A 949 29.413 -9.437 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 949 28.741 -7.735 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 949 28.665 -9.859 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 949 28.739 -8.128 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 949 30.873 -9.838 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 949 32.211 -9.226 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 949 30.737 -10.116 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 949 30.812 -8.352 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 949 32.239 -7.787 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 949 30.843 -6.856 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 949 30.785 -7.623 -2.725 1.00 0.00 H new ATOM 826 N VAL A 950 26.170 -8.702 -2.063 1.00 0.00 N ATOM 827 CA VAL A 950 24.716 -8.637 -2.077 1.00 0.00 C ATOM 828 C VAL A 950 24.177 -7.761 -0.973 1.00 0.00 C ATOM 829 O VAL A 950 24.733 -7.683 0.124 1.00 0.00 O ATOM 830 CB VAL A 950 24.056 -10.009 -1.926 1.00 0.00 C ATOM 831 CG1 VAL A 950 24.330 -10.868 -3.136 1.00 0.00 C ATOM 832 CG2 VAL A 950 24.513 -10.678 -0.645 1.00 0.00 C ATOM 0 H VAL A 950 26.581 -8.824 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 950 24.472 -8.218 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 950 22.976 -9.875 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 950 23.852 -11.839 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 950 23.931 -10.381 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 950 25.405 -11.005 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 950 24.034 -11.653 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 950 25.595 -10.806 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 950 24.239 -10.057 0.208 1.00 0.00 H new ATOM 842 N TRP A 951 23.062 -7.134 -1.276 1.00 0.00 N ATOM 843 CA TRP A 951 22.379 -6.282 -0.325 1.00 0.00 C ATOM 844 C TRP A 951 21.352 -7.094 0.439 1.00 0.00 C ATOM 845 O TRP A 951 20.460 -7.691 -0.164 1.00 0.00 O ATOM 846 CB TRP A 951 21.707 -5.112 -1.042 1.00 0.00 C ATOM 847 CG TRP A 951 22.686 -4.271 -1.800 1.00 0.00 C ATOM 848 CD1 TRP A 951 23.303 -4.588 -2.975 1.00 0.00 C ATOM 849 CD2 TRP A 951 23.190 -2.990 -1.416 1.00 0.00 C ATOM 850 NE1 TRP A 951 24.150 -3.575 -3.353 1.00 0.00 N ATOM 851 CE2 TRP A 951 24.099 -2.582 -2.410 1.00 0.00 C ATOM 852 CE3 TRP A 951 22.956 -2.145 -0.331 1.00 0.00 C ATOM 853 CZ2 TRP A 951 24.775 -1.367 -2.348 1.00 0.00 C ATOM 854 CZ3 TRP A 951 23.625 -0.939 -0.268 1.00 0.00 C ATOM 855 CH2 TRP A 951 24.526 -0.560 -1.271 1.00 0.00 C ATOM 0 H TRP A 951 22.604 -7.199 -2.185 1.00 0.00 H new ATOM 0 HA TRP A 951 23.108 -5.877 0.377 1.00 0.00 H new ATOM 0 HB2 TRP A 951 20.952 -5.495 -1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 951 21.188 -4.491 -0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 951 23.148 -5.503 -3.528 1.00 0.00 H new ATOM 0 HE1 TRP A 951 24.723 -3.564 -4.197 1.00 0.00 H new ATOM 0 HE3 TRP A 951 22.263 -2.430 0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 25.470 -1.072 -3.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 23.451 -0.278 0.568 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.035 0.389 -1.193 1.00 0.00 H new ATOM 866 N SER A 952 21.479 -7.117 1.761 1.00 0.00 N ATOM 867 CA SER A 952 20.547 -7.863 2.595 1.00 0.00 C ATOM 868 C SER A 952 19.141 -7.723 2.035 1.00 0.00 C ATOM 869 O SER A 952 18.669 -6.611 1.801 1.00 0.00 O ATOM 870 CB SER A 952 20.594 -7.357 4.038 1.00 0.00 C ATOM 871 OG SER A 952 19.692 -8.076 4.861 1.00 0.00 O ATOM 0 H SER A 952 22.214 -6.631 2.275 1.00 0.00 H new ATOM 0 HA SER A 952 20.833 -8.915 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 952 21.607 -7.457 4.429 1.00 0.00 H new ATOM 0 HB3 SER A 952 20.347 -6.296 4.063 1.00 0.00 H new ATOM 0 HG SER A 952 19.743 -7.734 5.778 1.00 0.00 H new ATOM 877 N SER A 953 18.487 -8.851 1.792 1.00 0.00 N ATOM 878 CA SER A 953 17.154 -8.844 1.228 1.00 0.00 C ATOM 879 C SER A 953 16.115 -8.511 2.292 1.00 0.00 C ATOM 880 O SER A 953 15.826 -9.321 3.173 1.00 0.00 O ATOM 881 CB SER A 953 16.861 -10.202 0.606 1.00 0.00 C ATOM 882 OG SER A 953 17.750 -10.476 -0.464 1.00 0.00 O ATOM 0 H SER A 953 18.863 -9.781 1.979 1.00 0.00 H new ATOM 0 HA SER A 953 17.101 -8.075 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 953 16.950 -10.980 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 953 15.833 -10.225 0.244 1.00 0.00 H new ATOM 0 HG SER A 953 17.542 -11.355 -0.845 1.00 0.00 H new ATOM 888 N PRO A 954 15.556 -7.291 2.228 1.00 0.00 N ATOM 889 CA PRO A 954 14.570 -6.803 3.166 1.00 0.00 C ATOM 890 C PRO A 954 13.153 -6.878 2.617 1.00 0.00 C ATOM 891 O PRO A 954 12.440 -5.874 2.577 1.00 0.00 O ATOM 892 CB PRO A 954 14.996 -5.349 3.334 1.00 0.00 C ATOM 893 CG PRO A 954 15.690 -4.985 2.044 1.00 0.00 C ATOM 894 CD PRO A 954 15.849 -6.255 1.241 1.00 0.00 C ATOM 0 HA PRO A 954 14.539 -7.384 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 954 14.135 -4.705 3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 954 15.664 -5.231 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 954 15.107 -4.251 1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 954 16.662 -4.534 2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 954 15.159 -6.291 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 954 16.855 -6.355 0.834 1.00 0.00 H new ATOM 902 N LYS A 955 12.748 -8.067 2.197 1.00 0.00 N ATOM 903 CA LYS A 955 11.406 -8.264 1.655 1.00 0.00 C ATOM 904 C LYS A 955 10.388 -8.324 2.787 1.00 0.00 C ATOM 905 O LYS A 955 9.440 -9.110 2.760 1.00 0.00 O ATOM 906 CB LYS A 955 11.345 -9.546 0.830 1.00 0.00 C ATOM 907 CG LYS A 955 12.316 -9.564 -0.339 1.00 0.00 C ATOM 908 CD LYS A 955 12.201 -10.848 -1.147 1.00 0.00 C ATOM 909 CE LYS A 955 12.542 -12.072 -0.310 1.00 0.00 C ATOM 910 NZ LYS A 955 13.932 -12.015 0.220 1.00 0.00 N ATOM 0 H LYS A 955 13.324 -8.908 2.219 1.00 0.00 H new ATOM 0 HA LYS A 955 11.168 -7.421 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 955 11.555 -10.396 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 955 10.331 -9.677 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 955 12.122 -8.708 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 955 13.335 -9.458 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 955 11.187 -10.944 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 955 12.869 -10.798 -2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 955 11.840 -12.150 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 955 12.421 -12.970 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 14.188 -12.939 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 14.588 -11.780 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 13.992 -11.286 0.960 1.00 0.00 H new ATOM 924 N ASP A 956 10.614 -7.482 3.781 1.00 0.00 N ATOM 925 CA ASP A 956 9.764 -7.392 4.953 1.00 0.00 C ATOM 926 C ASP A 956 9.996 -6.046 5.621 1.00 0.00 C ATOM 927 O ASP A 956 10.340 -5.974 6.802 1.00 0.00 O ATOM 928 CB ASP A 956 10.106 -8.523 5.919 1.00 0.00 C ATOM 929 CG ASP A 956 9.256 -8.499 7.174 1.00 0.00 C ATOM 930 OD1 ASP A 956 8.017 -8.597 7.053 1.00 0.00 O ATOM 931 OD2 ASP A 956 9.830 -8.383 8.277 1.00 0.00 O ATOM 0 H ASP A 956 11.402 -6.835 3.796 1.00 0.00 H new ATOM 0 HA ASP A 956 8.716 -7.481 4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 956 9.973 -9.479 5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 956 11.158 -8.453 6.196 1.00 0.00 H new ATOM 936 N VAL A 957 9.858 -4.978 4.842 1.00 0.00 N ATOM 937 CA VAL A 957 10.111 -3.636 5.346 1.00 0.00 C ATOM 938 C VAL A 957 9.204 -2.604 4.691 1.00 0.00 C ATOM 939 O VAL A 957 9.057 -1.492 5.194 1.00 0.00 O ATOM 940 CB VAL A 957 11.570 -3.233 5.073 1.00 0.00 C ATOM 941 CG1 VAL A 957 12.525 -4.308 5.569 1.00 0.00 C ATOM 942 CG2 VAL A 957 11.771 -2.991 3.586 1.00 0.00 C ATOM 0 H VAL A 957 9.573 -5.017 3.863 1.00 0.00 H new ATOM 0 HA VAL A 957 9.910 -3.656 6.417 1.00 0.00 H new ATOM 0 HB VAL A 957 11.785 -2.311 5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 957 13.552 -4.004 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 957 12.392 -4.446 6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 957 12.316 -5.246 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 957 12.807 -2.706 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 957 11.541 -3.903 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 957 11.110 -2.190 3.255 1.00 0.00 H new ATOM 952 N CYS A 958 8.610 -2.970 3.566 1.00 0.00 N ATOM 953 CA CYS A 958 7.732 -2.057 2.848 1.00 0.00 C ATOM 954 C CYS A 958 6.616 -2.817 2.145 1.00 0.00 C ATOM 955 O CYS A 958 6.846 -3.855 1.524 1.00 0.00 O ATOM 956 CB CYS A 958 8.534 -1.238 1.832 1.00 0.00 C ATOM 957 SG CYS A 958 7.653 0.223 1.194 1.00 0.00 S ATOM 0 H CYS A 958 8.718 -3.887 3.132 1.00 0.00 H new ATOM 0 HA CYS A 958 7.281 -1.379 3.572 1.00 0.00 H new ATOM 0 HB2 CYS A 958 9.465 -0.913 2.297 1.00 0.00 H new ATOM 0 HB3 CYS A 958 8.803 -1.881 0.994 1.00 0.00 H new ATOM 962 N LYS A 959 5.403 -2.292 2.267 1.00 0.00 N ATOM 963 CA LYS A 959 4.225 -2.909 1.669 1.00 0.00 C ATOM 964 C LYS A 959 3.219 -1.839 1.260 1.00 0.00 C ATOM 965 O LYS A 959 3.166 -0.767 1.862 1.00 0.00 O ATOM 966 CB LYS A 959 3.601 -3.890 2.662 1.00 0.00 C ATOM 967 CG LYS A 959 4.493 -5.087 2.962 1.00 0.00 C ATOM 968 CD LYS A 959 4.178 -5.698 4.317 1.00 0.00 C ATOM 969 CE LYS A 959 4.637 -4.792 5.449 1.00 0.00 C ATOM 970 NZ LYS A 959 4.320 -5.367 6.785 1.00 0.00 N ATOM 0 H LYS A 959 5.208 -1.432 2.780 1.00 0.00 H new ATOM 0 HA LYS A 959 4.519 -3.456 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 959 3.382 -3.366 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 959 2.650 -4.244 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 959 4.365 -5.840 2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 959 5.538 -4.778 2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 959 3.105 -5.873 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 959 4.666 -6.669 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 959 5.712 -4.629 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 959 4.159 -3.818 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 4.649 -4.719 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 3.292 -5.499 6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 4.797 -6.285 6.890 1.00 0.00 H new ATOM 984 N ARG A 960 2.447 -2.117 0.215 1.00 0.00 N ATOM 985 CA ARG A 960 1.474 -1.153 -0.290 1.00 0.00 C ATOM 986 C ARG A 960 0.532 -0.649 0.797 1.00 0.00 C ATOM 987 O ARG A 960 -0.006 -1.425 1.587 1.00 0.00 O ATOM 988 CB ARG A 960 0.642 -1.754 -1.423 1.00 0.00 C ATOM 989 CG ARG A 960 -0.297 -0.738 -2.055 1.00 0.00 C ATOM 990 CD ARG A 960 -1.105 -1.336 -3.190 1.00 0.00 C ATOM 991 NE ARG A 960 -0.268 -1.738 -4.318 1.00 0.00 N ATOM 992 CZ ARG A 960 0.429 -0.884 -5.063 1.00 0.00 C ATOM 993 NH1 ARG A 960 0.384 0.416 -4.809 1.00 0.00 N ATOM 994 NH2 ARG A 960 1.169 -1.332 -6.068 1.00 0.00 N ATOM 0 H ARG A 960 2.475 -2.998 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 960 2.054 -0.308 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 960 1.309 -2.153 -2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 960 0.061 -2.592 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 960 -0.974 -0.349 -1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 960 0.282 0.107 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -1.656 -2.202 -2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 960 -1.843 -0.609 -3.529 1.00 0.00 H new ATOM 0 HE ARG A 960 -0.215 -2.730 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -0.187 0.766 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 960 0.920 1.067 -5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 960 1.204 -2.331 -6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 960 1.703 -0.677 -6.639 1.00 0.00 H new ATOM 1008 N LYS A 961 0.321 0.664 0.796 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.578 1.312 1.741 1.00 0.00 C ATOM 1010 C LYS A 961 -1.970 0.699 1.654 1.00 0.00 C ATOM 1011 O LYS A 961 -2.291 0.011 0.686 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.669 2.807 1.428 1.00 0.00 C ATOM 1013 CG LYS A 961 0.575 3.603 1.784 1.00 0.00 C ATOM 1014 CD LYS A 961 0.685 3.827 3.284 1.00 0.00 C ATOM 1015 CE LYS A 961 1.826 4.771 3.626 1.00 0.00 C ATOM 1016 NZ LYS A 961 1.672 6.095 2.961 1.00 0.00 N ATOM 0 H LYS A 961 0.768 1.306 0.141 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.185 1.169 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 961 -0.872 2.931 0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -1.519 3.227 1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 961 1.460 3.075 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 961 0.551 4.565 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 961 -0.252 4.236 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 961 0.840 2.871 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 961 1.870 4.911 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 961 2.772 4.321 3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 2.287 6.792 3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 1.940 6.014 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 0.682 6.405 3.030 1.00 0.00 H new ATOM 1030 N SER A 962 -2.798 0.965 2.654 1.00 0.00 N ATOM 1031 CA SER A 962 -4.161 0.449 2.669 1.00 0.00 C ATOM 1032 C SER A 962 -5.099 1.458 3.321 1.00 0.00 C ATOM 1033 O SER A 962 -4.795 2.009 4.379 1.00 0.00 O ATOM 1034 CB SER A 962 -4.224 -0.888 3.409 1.00 0.00 C ATOM 1035 OG SER A 962 -3.976 -0.719 4.794 1.00 0.00 O ATOM 0 H SER A 962 -2.552 1.534 3.464 1.00 0.00 H new ATOM 0 HA SER A 962 -4.479 0.287 1.639 1.00 0.00 H new ATOM 0 HB2 SER A 962 -5.205 -1.340 3.265 1.00 0.00 H new ATOM 0 HB3 SER A 962 -3.491 -1.575 2.987 1.00 0.00 H new ATOM 0 HG SER A 962 -4.024 -1.589 5.243 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.231 1.709 2.673 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.206 2.668 3.178 1.00 0.00 C ATOM 1043 C CYS A 963 -8.092 2.044 4.251 1.00 0.00 C ATOM 1044 O CYS A 963 -9.279 2.352 4.343 1.00 0.00 O ATOM 1045 CB CYS A 963 -8.070 3.189 2.027 1.00 0.00 C ATOM 1046 SG CYS A 963 -7.121 3.856 0.621 1.00 0.00 S ATOM 0 H CYS A 963 -6.496 1.261 1.796 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.662 3.498 3.629 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.706 2.379 1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -8.730 3.968 2.407 1.00 0.00 H new ATOM 1051 N LYS A 964 -7.498 1.178 5.065 1.00 0.00 N ATOM 1052 CA LYS A 964 -8.219 0.504 6.142 1.00 0.00 C ATOM 1053 C LYS A 964 -9.349 -0.361 5.586 1.00 0.00 C ATOM 1054 O LYS A 964 -10.083 0.061 4.692 1.00 0.00 O ATOM 1055 CB LYS A 964 -8.776 1.538 7.122 1.00 0.00 C ATOM 1056 CG LYS A 964 -9.627 0.952 8.244 1.00 0.00 C ATOM 1057 CD LYS A 964 -8.780 0.355 9.365 1.00 0.00 C ATOM 1058 CE LYS A 964 -8.082 -0.928 8.943 1.00 0.00 C ATOM 1059 NZ LYS A 964 -7.272 -1.509 10.048 1.00 0.00 N ATOM 0 H LYS A 964 -6.512 0.924 4.999 1.00 0.00 H new ATOM 0 HA LYS A 964 -7.522 -0.148 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -7.944 2.087 7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -9.376 2.260 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -10.270 1.731 8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -10.281 0.181 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -8.034 1.084 9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -9.414 0.153 10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -8.826 -1.655 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -7.437 -0.726 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -6.813 -2.382 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -6.546 -0.825 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -7.891 -1.726 10.855 1.00 0.00 H new ATOM 1073 N THR A 965 -9.487 -1.574 6.115 1.00 0.00 N ATOM 1074 CA THR A 965 -10.532 -2.480 5.656 1.00 0.00 C ATOM 1075 C THR A 965 -11.903 -1.820 5.775 1.00 0.00 C ATOM 1076 O THR A 965 -12.254 -1.289 6.829 1.00 0.00 O ATOM 1077 CB THR A 965 -10.535 -3.801 6.448 1.00 0.00 C ATOM 1078 OG1 THR A 965 -9.226 -4.384 6.433 1.00 0.00 O ATOM 1079 CG2 THR A 965 -11.535 -4.786 5.855 1.00 0.00 C ATOM 0 H THR A 965 -8.893 -1.948 6.855 1.00 0.00 H new ATOM 0 HA THR A 965 -10.321 -2.706 4.611 1.00 0.00 H new ATOM 0 HB THR A 965 -10.826 -3.581 7.475 1.00 0.00 H new ATOM 0 HG1 THR A 965 -9.236 -5.223 6.940 1.00 0.00 H new ATOM 0 HG21 THR A 965 -11.519 -5.711 6.431 1.00 0.00 H new ATOM 0 HG22 THR A 965 -12.535 -4.354 5.889 1.00 0.00 H new ATOM 0 HG23 THR A 965 -11.267 -4.998 4.820 1.00 0.00 H new ATOM 1087 N PRO A 966 -12.696 -1.837 4.691 1.00 0.00 N ATOM 1088 CA PRO A 966 -14.029 -1.225 4.681 1.00 0.00 C ATOM 1089 C PRO A 966 -15.037 -1.997 5.525 1.00 0.00 C ATOM 1090 O PRO A 966 -15.295 -3.174 5.275 1.00 0.00 O ATOM 1091 CB PRO A 966 -14.428 -1.277 3.205 1.00 0.00 C ATOM 1092 CG PRO A 966 -13.664 -2.428 2.650 1.00 0.00 C ATOM 1093 CD PRO A 966 -12.355 -2.442 3.389 1.00 0.00 C ATOM 0 HA PRO A 966 -14.015 -0.221 5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -15.502 -1.422 3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -14.174 -0.349 2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -14.205 -3.363 2.794 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -13.507 -2.313 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -11.969 -3.455 3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -11.591 -1.867 2.866 1.00 0.00 H new ATOM 1101 N PRO A 967 -15.635 -1.338 6.534 1.00 0.00 N ATOM 1102 CA PRO A 967 -16.630 -1.968 7.403 1.00 0.00 C ATOM 1103 C PRO A 967 -17.928 -2.238 6.655 1.00 0.00 C ATOM 1104 O PRO A 967 -18.528 -1.325 6.087 1.00 0.00 O ATOM 1105 CB PRO A 967 -16.863 -0.936 8.518 1.00 0.00 C ATOM 1106 CG PRO A 967 -15.788 0.089 8.353 1.00 0.00 C ATOM 1107 CD PRO A 967 -15.403 0.064 6.903 1.00 0.00 C ATOM 0 HA PRO A 967 -16.291 -2.933 7.779 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -17.851 -0.484 8.433 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -16.810 -1.404 9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -16.145 1.077 8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -14.931 -0.140 8.987 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -16.013 0.745 6.310 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -14.363 0.355 6.755 1.00 0.00 H new ATOM 1115 N ASP A 968 -18.358 -3.494 6.651 1.00 0.00 N ATOM 1116 CA ASP A 968 -19.587 -3.868 5.964 1.00 0.00 C ATOM 1117 C ASP A 968 -20.791 -3.161 6.579 1.00 0.00 C ATOM 1118 O ASP A 968 -21.073 -3.322 7.767 1.00 0.00 O ATOM 1119 CB ASP A 968 -19.786 -5.385 6.023 1.00 0.00 C ATOM 1120 CG ASP A 968 -18.650 -6.143 5.366 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -18.423 -5.940 4.155 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -17.986 -6.939 6.064 1.00 0.00 O ATOM 0 H ASP A 968 -17.877 -4.266 7.113 1.00 0.00 H new ATOM 0 HA ASP A 968 -19.501 -3.559 4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -19.873 -5.697 7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -20.724 -5.645 5.533 1.00 0.00 H new ATOM 1127 N PRO A 969 -21.525 -2.370 5.776 1.00 0.00 N ATOM 1128 CA PRO A 969 -22.707 -1.649 6.253 1.00 0.00 C ATOM 1129 C PRO A 969 -23.843 -2.594 6.591 1.00 0.00 C ATOM 1130 O PRO A 969 -24.067 -3.586 5.897 1.00 0.00 O ATOM 1131 CB PRO A 969 -23.085 -0.747 5.077 1.00 0.00 C ATOM 1132 CG PRO A 969 -22.525 -1.431 3.879 1.00 0.00 C ATOM 1133 CD PRO A 969 -21.271 -2.124 4.343 1.00 0.00 C ATOM 0 HA PRO A 969 -22.508 -1.095 7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -24.166 -0.632 4.998 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -22.666 0.252 5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -23.238 -2.147 3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -22.304 -0.714 3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -21.101 -3.054 3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -20.389 -1.502 4.193 1.00 0.00 H new ATOM 1141 N VAL A 970 -24.553 -2.279 7.664 1.00 0.00 N ATOM 1142 CA VAL A 970 -25.665 -3.085 8.109 1.00 0.00 C ATOM 1143 C VAL A 970 -26.572 -3.460 6.941 1.00 0.00 C ATOM 1144 O VAL A 970 -27.005 -2.597 6.177 1.00 0.00 O ATOM 1145 CB VAL A 970 -26.464 -2.330 9.173 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -26.716 -0.911 8.714 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -27.755 -3.047 9.479 1.00 0.00 C ATOM 0 H VAL A 970 -24.371 -1.460 8.244 1.00 0.00 H new ATOM 0 HA VAL A 970 -25.270 -4.005 8.541 1.00 0.00 H new ATOM 0 HB VAL A 970 -25.884 -2.294 10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -27.285 -0.378 9.475 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -25.764 -0.406 8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -27.281 -0.925 7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -28.308 -2.493 10.238 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -28.356 -3.118 8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -27.536 -4.049 9.848 1.00 0.00 H new ATOM 1157 N ASN A 971 -26.843 -4.757 6.805 1.00 0.00 N ATOM 1158 CA ASN A 971 -27.686 -5.261 5.727 1.00 0.00 C ATOM 1159 C ASN A 971 -27.017 -5.052 4.369 1.00 0.00 C ATOM 1160 O ASN A 971 -27.636 -4.541 3.434 1.00 0.00 O ATOM 1161 CB ASN A 971 -29.059 -4.583 5.747 1.00 0.00 C ATOM 1162 CG ASN A 971 -29.812 -4.832 7.039 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -30.175 -3.757 7.730 1.00 0.00 O flip ATOM 1164 ND2 ASN A 971 -30.068 -5.977 7.411 1.00 0.00 N flip ATOM 0 H ASN A 971 -26.488 -5.479 7.432 1.00 0.00 H new ATOM 0 HA ASN A 971 -27.824 -6.331 5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -28.932 -3.510 5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -29.653 -4.947 4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -29.770 -6.774 6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -30.578 -6.128 8.281 1.00 0.00 H new ATOM 1171 N GLY A 972 -25.751 -5.454 4.264 1.00 0.00 N ATOM 1172 CA GLY A 972 -25.026 -5.304 3.013 1.00 0.00 C ATOM 1173 C GLY A 972 -23.766 -6.150 2.956 1.00 0.00 C ATOM 1174 O GLY A 972 -23.647 -7.139 3.680 1.00 0.00 O ATOM 0 H GLY A 972 -25.216 -5.880 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -25.680 -5.578 2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -24.760 -4.256 2.876 1.00 0.00 H new ATOM 1178 N MET A 973 -22.827 -5.760 2.090 1.00 0.00 N ATOM 1179 CA MET A 973 -21.569 -6.491 1.932 1.00 0.00 C ATOM 1180 C MET A 973 -20.718 -5.874 0.821 1.00 0.00 C ATOM 1181 O MET A 973 -21.193 -5.685 -0.299 1.00 0.00 O ATOM 1182 CB MET A 973 -21.855 -7.959 1.600 1.00 0.00 C ATOM 1183 CG MET A 973 -20.616 -8.835 1.552 1.00 0.00 C ATOM 1184 SD MET A 973 -20.981 -10.519 1.017 1.00 0.00 S ATOM 1185 CE MET A 973 -22.261 -10.982 2.184 1.00 0.00 C ATOM 0 H MET A 973 -22.915 -4.942 1.488 1.00 0.00 H new ATOM 0 HA MET A 973 -21.018 -6.429 2.871 1.00 0.00 H new ATOM 0 HB2 MET A 973 -22.543 -8.361 2.343 1.00 0.00 H new ATOM 0 HB3 MET A 973 -22.361 -8.011 0.636 1.00 0.00 H new ATOM 0 HG2 MET A 973 -19.887 -8.391 0.873 1.00 0.00 H new ATOM 0 HG3 MET A 973 -20.156 -8.863 2.540 1.00 0.00 H new ATOM 0 HE1 MET A 973 -22.352 -12.068 2.213 1.00 0.00 H new ATOM 0 HE2 MET A 973 -22.000 -10.613 3.176 1.00 0.00 H new ATOM 0 HE3 MET A 973 -23.211 -10.547 1.874 1.00 0.00 H new ATOM 1195 N VAL A 974 -19.458 -5.566 1.130 1.00 0.00 N ATOM 1196 CA VAL A 974 -18.556 -4.980 0.140 1.00 0.00 C ATOM 1197 C VAL A 974 -17.614 -6.026 -0.447 1.00 0.00 C ATOM 1198 O VAL A 974 -16.975 -6.782 0.286 1.00 0.00 O ATOM 1199 CB VAL A 974 -17.706 -3.833 0.731 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -16.788 -4.343 1.833 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -16.889 -3.164 -0.363 1.00 0.00 C ATOM 0 H VAL A 974 -19.042 -5.711 2.050 1.00 0.00 H new ATOM 0 HA VAL A 974 -19.197 -4.579 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 974 -18.385 -3.100 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -16.202 -3.515 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -17.387 -4.780 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -16.117 -5.100 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -16.295 -2.358 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -16.226 -3.897 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -17.559 -2.756 -1.120 1.00 0.00 H new ATOM 1211 N HIS A 975 -17.512 -6.051 -1.772 1.00 0.00 N ATOM 1212 CA HIS A 975 -16.621 -6.988 -2.440 1.00 0.00 C ATOM 1213 C HIS A 975 -15.262 -6.339 -2.653 1.00 0.00 C ATOM 1214 O HIS A 975 -15.130 -5.414 -3.456 1.00 0.00 O ATOM 1215 CB HIS A 975 -17.185 -7.418 -3.797 1.00 0.00 C ATOM 1216 CG HIS A 975 -18.624 -7.817 -3.771 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -19.143 -8.735 -2.883 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -19.657 -7.423 -4.550 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -20.435 -8.889 -3.119 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -20.771 -8.104 -4.125 1.00 0.00 N ATOM 0 H HIS A 975 -18.032 -5.437 -2.399 1.00 0.00 H new ATOM 0 HA HIS A 975 -16.524 -7.870 -1.807 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -17.061 -6.598 -4.504 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -16.596 -8.255 -4.173 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -19.614 -6.706 -5.356 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -21.102 -9.546 -2.580 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -21.706 -8.017 -4.522 1.00 0.00 H new ATOM 1229 N VAL A 976 -14.250 -6.825 -1.948 1.00 0.00 N ATOM 1230 CA VAL A 976 -12.913 -6.289 -2.088 1.00 0.00 C ATOM 1231 C VAL A 976 -12.398 -6.542 -3.498 1.00 0.00 C ATOM 1232 O VAL A 976 -11.457 -5.895 -3.959 1.00 0.00 O ATOM 1233 CB VAL A 976 -11.959 -6.907 -1.059 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -12.450 -6.639 0.357 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -11.816 -8.389 -1.315 1.00 0.00 C ATOM 0 H VAL A 976 -14.334 -7.588 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 976 -12.955 -5.215 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 976 -10.978 -6.443 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -11.759 -7.086 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -12.503 -5.564 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -13.440 -7.076 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -11.137 -8.821 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -12.792 -8.868 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -11.416 -8.548 -2.316 1.00 0.00 H new ATOM 1245 N ILE A 977 -13.046 -7.496 -4.171 1.00 0.00 N ATOM 1246 CA ILE A 977 -12.710 -7.887 -5.538 1.00 0.00 C ATOM 1247 C ILE A 977 -11.428 -8.713 -5.564 1.00 0.00 C ATOM 1248 O ILE A 977 -11.369 -9.773 -6.186 1.00 0.00 O ATOM 1249 CB ILE A 977 -12.550 -6.665 -6.471 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -13.653 -5.632 -6.211 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -12.581 -7.112 -7.924 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -15.053 -6.148 -6.469 1.00 0.00 C ATOM 0 H ILE A 977 -13.826 -8.022 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 977 -13.542 -8.489 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 977 -11.588 -6.196 -6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -13.586 -5.296 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -13.476 -4.760 -6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -12.468 -6.244 -8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -11.765 -7.812 -8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -13.532 -7.601 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -15.776 -5.359 -6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -15.141 -6.457 -7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -15.252 -7.001 -5.820 1.00 0.00 H new ATOM 1264 N THR A 978 -10.410 -8.222 -4.868 1.00 0.00 N ATOM 1265 CA THR A 978 -9.125 -8.902 -4.779 1.00 0.00 C ATOM 1266 C THR A 978 -8.486 -8.620 -3.426 1.00 0.00 C ATOM 1267 O THR A 978 -8.066 -9.535 -2.717 1.00 0.00 O ATOM 1268 CB THR A 978 -8.163 -8.449 -5.895 1.00 0.00 C ATOM 1269 OG1 THR A 978 -7.938 -7.038 -5.808 1.00 0.00 O ATOM 1270 CG2 THR A 978 -8.724 -8.792 -7.267 1.00 0.00 C ATOM 0 H THR A 978 -10.452 -7.344 -4.351 1.00 0.00 H new ATOM 0 HA THR A 978 -9.307 -9.970 -4.896 1.00 0.00 H new ATOM 0 HB THR A 978 -7.218 -8.976 -5.763 1.00 0.00 H new ATOM 0 HG1 THR A 978 -7.325 -6.760 -6.520 1.00 0.00 H new ATOM 0 HG21 THR A 978 -8.027 -8.462 -8.038 1.00 0.00 H new ATOM 0 HG22 THR A 978 -8.866 -9.870 -7.343 1.00 0.00 H new ATOM 0 HG23 THR A 978 -9.681 -8.290 -7.405 1.00 0.00 H new ATOM 1278 N ASP A 979 -8.438 -7.338 -3.074 1.00 0.00 N ATOM 1279 CA ASP A 979 -7.876 -6.894 -1.804 1.00 0.00 C ATOM 1280 C ASP A 979 -8.440 -5.524 -1.438 1.00 0.00 C ATOM 1281 O ASP A 979 -9.567 -5.194 -1.808 1.00 0.00 O ATOM 1282 CB ASP A 979 -6.348 -6.826 -1.889 1.00 0.00 C ATOM 1283 CG ASP A 979 -5.709 -8.185 -2.094 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -5.881 -9.060 -1.219 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -5.036 -8.376 -3.129 1.00 0.00 O ATOM 0 H ASP A 979 -8.787 -6.580 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 979 -8.149 -7.612 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -6.063 -6.168 -2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -5.957 -6.380 -0.974 1.00 0.00 H new ATOM 1290 N ILE A 980 -7.653 -4.722 -0.728 1.00 0.00 N ATOM 1291 CA ILE A 980 -8.084 -3.385 -0.334 1.00 0.00 C ATOM 1292 C ILE A 980 -6.894 -2.443 -0.193 1.00 0.00 C ATOM 1293 O ILE A 980 -6.955 -1.448 0.528 1.00 0.00 O ATOM 1294 CB ILE A 980 -8.872 -3.408 0.992 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -8.104 -4.192 2.057 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -10.258 -3.998 0.780 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -8.823 -4.274 3.385 1.00 0.00 C ATOM 0 H ILE A 980 -6.716 -4.974 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 980 -8.740 -3.022 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 980 -8.990 -2.383 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -7.920 -5.202 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -7.131 -3.725 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -10.799 -4.006 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -10.804 -3.394 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -10.166 -5.018 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -8.219 -4.844 4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -8.984 -3.269 3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -9.785 -4.768 3.248 1.00 0.00 H new ATOM 1309 N GLN A 981 -5.816 -2.759 -0.905 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.612 -1.938 -0.880 1.00 0.00 C ATOM 1311 C GLN A 981 -4.773 -0.740 -1.813 1.00 0.00 C ATOM 1312 O GLN A 981 -5.660 -0.728 -2.667 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.393 -2.762 -1.301 1.00 0.00 C ATOM 1314 CG GLN A 981 -3.195 -4.042 -0.502 1.00 0.00 C ATOM 1315 CD GLN A 981 -2.903 -3.803 0.970 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -2.720 -2.545 1.349 1.00 0.00 O flip ATOM 1317 NE2 GLN A 981 -2.828 -4.747 1.757 1.00 0.00 N flip ATOM 0 H GLN A 981 -5.753 -3.580 -1.507 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.460 -1.580 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.489 -3.018 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.500 -2.144 -1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -4.090 -4.658 -0.591 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -2.373 -4.609 -0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -2.975 -5.700 1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -2.618 -4.576 2.740 1.00 0.00 H new ATOM 1326 N VAL A 982 -3.914 0.262 -1.648 1.00 0.00 N ATOM 1327 CA VAL A 982 -3.964 1.459 -2.484 1.00 0.00 C ATOM 1328 C VAL A 982 -3.879 1.100 -3.965 1.00 0.00 C ATOM 1329 O VAL A 982 -2.790 0.960 -4.524 1.00 0.00 O ATOM 1330 CB VAL A 982 -2.831 2.441 -2.117 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -2.711 3.559 -3.142 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -3.065 3.011 -0.728 1.00 0.00 C ATOM 0 H VAL A 982 -3.176 0.270 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 982 -4.922 1.945 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 982 -1.890 1.890 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -1.904 4.232 -2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -2.495 3.133 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -3.648 4.114 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -2.260 3.703 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -4.018 3.540 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -3.085 2.200 -0.000 1.00 0.00 H new ATOM 1342 N GLY A 983 -5.042 0.946 -4.589 1.00 0.00 N ATOM 1343 CA GLY A 983 -5.097 0.601 -5.997 1.00 0.00 C ATOM 1344 C GLY A 983 -6.375 -0.130 -6.359 1.00 0.00 C ATOM 1345 O GLY A 983 -7.034 0.207 -7.343 1.00 0.00 O ATOM 0 H GLY A 983 -5.952 1.055 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -5.018 1.509 -6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -4.240 -0.023 -6.250 1.00 0.00 H new ATOM 1349 N SER A 984 -6.722 -1.135 -5.560 1.00 0.00 N ATOM 1350 CA SER A 984 -7.927 -1.924 -5.794 1.00 0.00 C ATOM 1351 C SER A 984 -9.178 -1.163 -5.367 1.00 0.00 C ATOM 1352 O SER A 984 -9.180 -0.469 -4.347 1.00 0.00 O ATOM 1353 CB SER A 984 -7.845 -3.253 -5.040 1.00 0.00 C ATOM 1354 OG SER A 984 -9.013 -4.029 -5.246 1.00 0.00 O ATOM 0 H SER A 984 -6.184 -1.423 -4.743 1.00 0.00 H new ATOM 0 HA SER A 984 -7.995 -2.120 -6.864 1.00 0.00 H new ATOM 0 HB2 SER A 984 -6.970 -3.811 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.714 -3.063 -3.975 1.00 0.00 H new ATOM 0 HG SER A 984 -8.761 -4.959 -5.425 1.00 0.00 H new ATOM 1360 N ARG A 985 -10.243 -1.303 -6.151 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.504 -0.637 -5.851 1.00 0.00 C ATOM 1362 C ARG A 985 -12.515 -1.633 -5.284 1.00 0.00 C ATOM 1363 O ARG A 985 -12.709 -2.717 -5.834 1.00 0.00 O ATOM 1364 CB ARG A 985 -12.069 0.031 -7.109 1.00 0.00 C ATOM 1365 CG ARG A 985 -12.548 -0.954 -8.164 1.00 0.00 C ATOM 1366 CD ARG A 985 -13.027 -0.254 -9.432 1.00 0.00 C ATOM 1367 NE ARG A 985 -14.039 0.770 -9.169 1.00 0.00 N ATOM 1368 CZ ARG A 985 -13.756 2.022 -8.815 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -12.495 2.423 -8.719 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -14.738 2.880 -8.572 1.00 0.00 N ATOM 0 H ARG A 985 -10.257 -1.871 -6.998 1.00 0.00 H new ATOM 0 HA ARG A 985 -11.316 0.132 -5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -12.900 0.677 -6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -11.302 0.671 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -11.738 -1.639 -8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -13.359 -1.556 -7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -12.174 0.205 -9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -13.437 -0.995 -10.118 1.00 0.00 H new ATOM 0 HE ARG A 985 -15.021 0.509 -9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -11.736 1.771 -8.917 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -12.285 3.383 -8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -15.709 2.581 -8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -14.522 3.839 -8.301 1.00 0.00 H new ATOM 1384 N ILE A 986 -13.153 -1.259 -4.182 1.00 0.00 N ATOM 1385 CA ILE A 986 -14.142 -2.116 -3.539 1.00 0.00 C ATOM 1386 C ILE A 986 -15.559 -1.722 -3.936 1.00 0.00 C ATOM 1387 O ILE A 986 -15.951 -0.561 -3.808 1.00 0.00 O ATOM 1388 CB ILE A 986 -14.018 -2.051 -2.007 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -14.111 -0.597 -1.534 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -12.713 -2.688 -1.556 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -14.044 -0.438 -0.031 1.00 0.00 C ATOM 0 H ILE A 986 -13.003 -0.365 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 986 -13.946 -3.134 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 986 -14.840 -2.610 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.301 -0.025 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -15.045 -0.167 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -12.639 -2.635 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -12.690 -3.731 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -11.874 -2.155 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -14.116 0.619 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -14.869 -0.981 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -13.098 -0.837 0.335 1.00 0.00 H new ATOM 1403 N THR A 987 -16.331 -2.695 -4.405 1.00 0.00 N ATOM 1404 CA THR A 987 -17.710 -2.442 -4.800 1.00 0.00 C ATOM 1405 C THR A 987 -18.669 -2.806 -3.684 1.00 0.00 C ATOM 1406 O THR A 987 -18.569 -3.876 -3.088 1.00 0.00 O ATOM 1407 CB THR A 987 -18.097 -3.207 -6.074 1.00 0.00 C ATOM 1408 OG1 THR A 987 -17.579 -4.542 -6.030 1.00 0.00 O ATOM 1409 CG2 THR A 987 -17.579 -2.481 -7.302 1.00 0.00 C ATOM 0 H THR A 987 -16.027 -3.662 -4.520 1.00 0.00 H new ATOM 0 HA THR A 987 -17.783 -1.375 -5.008 1.00 0.00 H new ATOM 0 HB THR A 987 -19.184 -3.258 -6.132 1.00 0.00 H new ATOM 0 HG1 THR A 987 -17.834 -5.019 -6.847 1.00 0.00 H new ATOM 0 HG21 THR A 987 -17.861 -3.035 -8.198 1.00 0.00 H new ATOM 0 HG22 THR A 987 -18.011 -1.481 -7.343 1.00 0.00 H new ATOM 0 HG23 THR A 987 -16.493 -2.405 -7.249 1.00 0.00 H new ATOM 1417 N TYR A 988 -19.599 -1.908 -3.403 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.576 -2.136 -2.348 1.00 0.00 C ATOM 1419 C TYR A 988 -21.883 -2.683 -2.908 1.00 0.00 C ATOM 1420 O TYR A 988 -22.350 -2.253 -3.962 1.00 0.00 O ATOM 1421 CB TYR A 988 -20.839 -0.851 -1.560 1.00 0.00 C ATOM 1422 CG TYR A 988 -19.654 -0.392 -0.737 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.472 0.010 -1.343 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -19.725 -0.358 0.650 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.391 0.432 -0.591 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -18.650 0.063 1.409 1.00 0.00 C ATOM 1427 CZ TYR A 988 -17.486 0.457 0.784 1.00 0.00 C ATOM 1428 OH TYR A 988 -16.413 0.876 1.537 1.00 0.00 O ATOM 0 H TYR A 988 -19.699 -1.016 -3.888 1.00 0.00 H new ATOM 0 HA TYR A 988 -20.156 -2.882 -1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.117 -0.059 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -21.691 -1.008 -0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.395 -0.007 -2.420 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -20.635 -0.666 1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.478 0.740 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -18.721 0.083 2.486 1.00 0.00 H new ATOM 0 HH TYR A 988 -16.285 1.840 1.416 1.00 0.00 H new ATOM 1438 N SER A 989 -22.467 -3.633 -2.187 1.00 0.00 N ATOM 1439 CA SER A 989 -23.724 -4.244 -2.595 1.00 0.00 C ATOM 1440 C SER A 989 -24.484 -4.747 -1.375 1.00 0.00 C ATOM 1441 O SER A 989 -24.019 -5.634 -0.660 1.00 0.00 O ATOM 1442 CB SER A 989 -23.464 -5.398 -3.565 1.00 0.00 C ATOM 1443 OG SER A 989 -24.678 -6.004 -3.976 1.00 0.00 O ATOM 0 H SER A 989 -22.087 -3.997 -1.313 1.00 0.00 H new ATOM 0 HA SER A 989 -24.329 -3.491 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 989 -22.925 -5.029 -4.437 1.00 0.00 H new ATOM 0 HB3 SER A 989 -22.826 -6.142 -3.087 1.00 0.00 H new ATOM 0 HG SER A 989 -24.484 -6.737 -4.597 1.00 0.00 H new ATOM 1449 N CYS A 990 -25.653 -4.164 -1.140 1.00 0.00 N ATOM 1450 CA CYS A 990 -26.483 -4.537 -0.003 1.00 0.00 C ATOM 1451 C CYS A 990 -27.137 -5.895 -0.213 1.00 0.00 C ATOM 1452 O CYS A 990 -27.470 -6.269 -1.337 1.00 0.00 O ATOM 1453 CB CYS A 990 -27.551 -3.474 0.242 1.00 0.00 C ATOM 1454 SG CYS A 990 -26.873 -1.821 0.598 1.00 0.00 S ATOM 0 H CYS A 990 -26.048 -3.428 -1.725 1.00 0.00 H new ATOM 0 HA CYS A 990 -25.837 -4.606 0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -28.196 -3.411 -0.634 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -28.178 -3.787 1.077 1.00 0.00 H new ATOM 1459 N THR A 991 -27.323 -6.625 0.881 1.00 0.00 N ATOM 1460 CA THR A 991 -27.943 -7.940 0.822 1.00 0.00 C ATOM 1461 C THR A 991 -29.391 -7.830 0.363 1.00 0.00 C ATOM 1462 O THR A 991 -30.053 -6.823 0.614 1.00 0.00 O ATOM 1463 CB THR A 991 -27.896 -8.651 2.189 1.00 0.00 C ATOM 1464 OG1 THR A 991 -28.518 -9.937 2.094 1.00 0.00 O ATOM 1465 CG2 THR A 991 -28.595 -7.822 3.256 1.00 0.00 C ATOM 0 H THR A 991 -27.053 -6.327 1.818 1.00 0.00 H new ATOM 0 HA THR A 991 -27.376 -8.531 0.103 1.00 0.00 H new ATOM 0 HB THR A 991 -26.851 -8.773 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 991 -28.482 -10.383 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 991 -28.548 -8.345 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 991 -28.101 -6.855 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 991 -29.637 -7.672 2.975 1.00 0.00 H new ATOM 1473 N THR A 992 -29.870 -8.863 -0.324 1.00 0.00 N ATOM 1474 CA THR A 992 -31.238 -8.874 -0.833 1.00 0.00 C ATOM 1475 C THR A 992 -32.231 -8.429 0.236 1.00 0.00 C ATOM 1476 O THR A 992 -32.494 -9.153 1.198 1.00 0.00 O ATOM 1477 CB THR A 992 -31.635 -10.273 -1.338 1.00 0.00 C ATOM 1478 OG1 THR A 992 -30.737 -10.694 -2.373 1.00 0.00 O ATOM 1479 CG2 THR A 992 -33.061 -10.275 -1.870 1.00 0.00 C ATOM 0 H THR A 992 -29.332 -9.702 -0.541 1.00 0.00 H new ATOM 0 HA THR A 992 -31.271 -8.171 -1.665 1.00 0.00 H new ATOM 0 HB THR A 992 -31.576 -10.966 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 992 -30.995 -11.585 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 992 -33.317 -11.275 -2.221 1.00 0.00 H new ATOM 0 HG22 THR A 992 -33.747 -9.983 -1.075 1.00 0.00 H new ATOM 0 HG23 THR A 992 -33.142 -9.569 -2.696 1.00 0.00 H new ATOM 1487 N GLY A 993 -32.780 -7.231 0.057 1.00 0.00 N ATOM 1488 CA GLY A 993 -33.742 -6.698 1.004 1.00 0.00 C ATOM 1489 C GLY A 993 -33.750 -5.181 1.023 1.00 0.00 C ATOM 1490 O GLY A 993 -34.786 -4.554 0.802 1.00 0.00 O ATOM 0 H GLY A 993 -32.574 -6.618 -0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -34.738 -7.061 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -33.511 -7.071 2.002 1.00 0.00 H new ATOM 1494 N HIS A 994 -32.587 -4.592 1.291 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.448 -3.146 1.341 1.00 0.00 C ATOM 1496 C HIS A 994 -31.793 -2.624 0.066 1.00 0.00 C ATOM 1497 O HIS A 994 -30.932 -3.286 -0.514 1.00 0.00 O ATOM 1498 CB HIS A 994 -31.609 -2.744 2.556 1.00 0.00 C ATOM 1499 CG HIS A 994 -32.124 -3.296 3.849 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -32.263 -4.647 4.088 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -32.527 -2.673 4.983 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -32.731 -4.832 5.310 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -32.899 -3.650 5.874 1.00 0.00 N ATOM 0 H HIS A 994 -31.724 -5.102 1.478 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.442 -2.707 1.427 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -30.584 -3.084 2.408 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.578 -1.656 2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -32.551 -1.607 5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -32.940 -5.787 5.769 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -33.248 -3.489 6.819 1.00 0.00 H new ATOM 1512 N ARG A 995 -32.199 -1.435 -0.361 1.00 0.00 N ATOM 1513 CA ARG A 995 -31.644 -0.825 -1.561 1.00 0.00 C ATOM 1514 C ARG A 995 -30.430 0.025 -1.205 1.00 0.00 C ATOM 1515 O ARG A 995 -30.429 0.723 -0.192 1.00 0.00 O ATOM 1516 CB ARG A 995 -32.692 0.044 -2.254 1.00 0.00 C ATOM 1517 CG ARG A 995 -33.212 1.175 -1.380 1.00 0.00 C ATOM 1518 CD ARG A 995 -34.114 2.117 -2.159 1.00 0.00 C ATOM 1519 NE ARG A 995 -33.417 2.737 -3.282 1.00 0.00 N ATOM 1520 CZ ARG A 995 -33.980 3.615 -4.107 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -35.245 3.974 -3.939 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -33.276 4.136 -5.103 1.00 0.00 N ATOM 0 H ARG A 995 -32.911 -0.874 0.107 1.00 0.00 H new ATOM 0 HA ARG A 995 -31.340 -1.621 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -32.261 0.465 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -33.529 -0.584 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -33.762 0.759 -0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -32.371 1.733 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -34.980 1.567 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -34.490 2.893 -1.492 1.00 0.00 H new ATOM 0 HE ARG A 995 -32.443 2.482 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -35.791 3.576 -3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -35.673 4.648 -4.574 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -32.302 3.863 -5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -33.708 4.809 -5.735 1.00 0.00 H new ATOM 1536 N LEU A 996 -29.397 -0.047 -2.035 1.00 0.00 N ATOM 1537 CA LEU A 996 -28.177 0.715 -1.801 1.00 0.00 C ATOM 1538 C LEU A 996 -28.409 2.201 -2.064 1.00 0.00 C ATOM 1539 O LEU A 996 -28.969 2.582 -3.092 1.00 0.00 O ATOM 1540 CB LEU A 996 -27.046 0.187 -2.693 1.00 0.00 C ATOM 1541 CG LEU A 996 -25.640 0.667 -2.335 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -24.593 -0.165 -3.060 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -25.482 2.133 -2.673 1.00 0.00 C ATOM 0 H LEU A 996 -29.380 -0.625 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.889 0.594 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -27.058 -0.902 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -27.257 0.474 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 996 -25.494 0.543 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -23.598 0.190 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -24.695 -1.211 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -24.736 -0.072 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -24.475 2.460 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -25.646 2.280 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -26.210 2.717 -2.110 1.00 0.00 H new ATOM 1555 N ILE A 997 -27.957 3.035 -1.133 1.00 0.00 N ATOM 1556 CA ILE A 997 -28.092 4.480 -1.262 1.00 0.00 C ATOM 1557 C ILE A 997 -26.746 5.115 -1.601 1.00 0.00 C ATOM 1558 O ILE A 997 -25.739 4.839 -0.948 1.00 0.00 O ATOM 1559 CB ILE A 997 -28.647 5.125 0.031 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -30.112 4.753 0.243 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -28.501 6.629 -0.005 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -30.304 3.381 0.828 1.00 0.00 C ATOM 0 H ILE A 997 -27.492 2.732 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 997 -28.801 4.663 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 997 -28.062 4.737 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -30.574 5.488 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -30.635 4.809 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -28.899 7.055 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -27.447 6.890 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -29.052 7.028 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -31.369 3.184 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -29.872 2.637 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -29.810 3.327 1.798 1.00 0.00 H new ATOM 1574 N GLY A 998 -26.738 5.970 -2.621 1.00 0.00 N ATOM 1575 CA GLY A 998 -25.511 6.635 -3.025 1.00 0.00 C ATOM 1576 C GLY A 998 -24.809 5.940 -4.179 1.00 0.00 C ATOM 1577 O GLY A 998 -25.451 5.502 -5.132 1.00 0.00 O ATOM 0 H GLY A 998 -27.559 6.214 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -25.739 7.662 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -24.834 6.684 -2.172 1.00 0.00 H new ATOM 1581 N HIS A 999 -23.483 5.854 -4.094 1.00 0.00 N ATOM 1582 CA HIS A 999 -22.680 5.225 -5.139 1.00 0.00 C ATOM 1583 C HIS A 999 -22.679 3.704 -4.993 1.00 0.00 C ATOM 1584 O HIS A 999 -23.706 3.109 -4.677 1.00 0.00 O ATOM 1585 CB HIS A 999 -21.249 5.761 -5.078 1.00 0.00 C ATOM 1586 CG HIS A 999 -21.174 7.255 -5.082 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -21.546 8.028 -6.162 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -20.781 8.120 -4.119 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -21.382 9.304 -5.863 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -20.920 9.388 -4.630 1.00 0.00 N ATOM 0 H HIS A 999 -22.941 6.214 -3.309 1.00 0.00 H new ATOM 0 HA HIS A 999 -23.119 5.468 -6.106 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -20.765 5.383 -4.178 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -20.687 5.374 -5.928 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -20.425 7.862 -3.133 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -21.591 10.138 -6.517 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -20.702 10.253 -4.136 1.00 0.00 H new ATOM 1599 N SER A1000 -21.521 3.080 -5.225 1.00 0.00 N ATOM 1600 CA SER A1000 -21.391 1.628 -5.114 1.00 0.00 C ATOM 1601 C SER A1000 -19.972 1.180 -5.458 1.00 0.00 C ATOM 1602 O SER A1000 -19.749 0.033 -5.848 1.00 0.00 O ATOM 1603 CB SER A1000 -22.392 0.934 -6.043 1.00 0.00 C ATOM 1604 OG SER A1000 -22.300 -0.476 -5.933 1.00 0.00 O ATOM 0 H SER A1000 -20.661 3.559 -5.491 1.00 0.00 H new ATOM 0 HA SER A1000 -21.603 1.347 -4.082 1.00 0.00 H new ATOM 0 HB2 SER A1000 -23.404 1.255 -5.797 1.00 0.00 H new ATOM 0 HB3 SER A1000 -22.204 1.234 -7.074 1.00 0.00 H new ATOM 0 HG SER A1000 -21.360 -0.747 -5.982 1.00 0.00 H new ATOM 1610 N SER A1001 -19.015 2.090 -5.309 1.00 0.00 N ATOM 1611 CA SER A1001 -17.617 1.791 -5.604 1.00 0.00 C ATOM 1612 C SER A1001 -16.686 2.763 -4.887 1.00 0.00 C ATOM 1613 O SER A1001 -17.036 3.921 -4.665 1.00 0.00 O ATOM 1614 CB SER A1001 -17.365 1.847 -7.112 1.00 0.00 C ATOM 1615 OG SER A1001 -17.724 3.111 -7.643 1.00 0.00 O ATOM 0 H SER A1001 -19.182 3.043 -4.985 1.00 0.00 H new ATOM 0 HA SER A1001 -17.408 0.783 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A1001 -16.313 1.649 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A1001 -17.938 1.064 -7.609 1.00 0.00 H new ATOM 0 HG SER A1001 -17.704 3.072 -8.622 1.00 0.00 H new ATOM 1621 N ALA A1002 -15.497 2.284 -4.532 1.00 0.00 N ATOM 1622 CA ALA A1002 -14.511 3.113 -3.848 1.00 0.00 C ATOM 1623 C ALA A1002 -13.103 2.570 -4.062 1.00 0.00 C ATOM 1624 O ALA A1002 -12.795 1.449 -3.665 1.00 0.00 O ATOM 1625 CB ALA A1002 -14.828 3.189 -2.362 1.00 0.00 C ATOM 0 H ALA A1002 -15.194 1.326 -4.707 1.00 0.00 H new ATOM 0 HA ALA A1002 -14.556 4.117 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -14.085 3.811 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -15.818 3.624 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -14.809 2.187 -1.934 1.00 0.00 H new ATOM 1631 N GLU A1003 -12.253 3.372 -4.693 1.00 0.00 N ATOM 1632 CA GLU A1003 -10.875 2.962 -4.962 1.00 0.00 C ATOM 1633 C GLU A1003 -9.927 3.492 -3.894 1.00 0.00 C ATOM 1634 O GLU A1003 -9.915 4.686 -3.606 1.00 0.00 O ATOM 1635 CB GLU A1003 -10.424 3.468 -6.333 1.00 0.00 C ATOM 1636 CG GLU A1003 -9.068 2.931 -6.763 1.00 0.00 C ATOM 1637 CD GLU A1003 -8.642 3.441 -8.126 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -9.404 4.222 -8.735 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -7.545 3.058 -8.587 1.00 0.00 O ATOM 0 H GLU A1003 -12.490 4.306 -5.028 1.00 0.00 H new ATOM 0 HA GLU A1003 -10.847 1.872 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -11.169 3.188 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -10.385 4.557 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -8.319 3.214 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -9.102 1.842 -6.782 1.00 0.00 H new ATOM 1646 N CYS A1004 -9.116 2.609 -3.321 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.161 3.023 -2.302 1.00 0.00 C ATOM 1648 C CYS A1004 -7.038 3.832 -2.941 1.00 0.00 C ATOM 1649 O CYS A1004 -6.323 3.337 -3.812 1.00 0.00 O ATOM 1650 CB CYS A1004 -7.583 1.803 -1.581 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.363 2.206 -0.288 1.00 0.00 S ATOM 0 H CYS A1004 -9.101 1.613 -3.542 1.00 0.00 H new ATOM 0 HA CYS A1004 -8.679 3.644 -1.571 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.401 1.241 -1.130 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -7.114 1.149 -2.316 1.00 0.00 H new ATOM 1656 N ILE A1005 -6.891 5.083 -2.513 1.00 0.00 N ATOM 1657 CA ILE A1005 -5.857 5.952 -3.059 1.00 0.00 C ATOM 1658 C ILE A1005 -5.148 6.739 -1.973 1.00 0.00 C ATOM 1659 O ILE A1005 -5.757 7.166 -0.994 1.00 0.00 O ATOM 1660 CB ILE A1005 -6.422 6.940 -4.093 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -7.568 7.753 -3.485 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -6.876 6.188 -5.332 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -8.048 8.881 -4.373 1.00 0.00 C ATOM 0 H ILE A1005 -7.472 5.514 -1.794 1.00 0.00 H new ATOM 0 HA ILE A1005 -5.143 5.290 -3.549 1.00 0.00 H new ATOM 0 HB ILE A1005 -5.638 7.639 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -8.404 7.086 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -7.243 8.166 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -7.275 6.894 -6.060 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -6.029 5.658 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -7.651 5.471 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -8.860 9.413 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -7.225 9.570 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -8.405 8.473 -5.319 1.00 0.00 H new ATOM 1675 N LEU A1006 -3.852 6.929 -2.164 1.00 0.00 N ATOM 1676 CA LEU A1006 -3.039 7.672 -1.209 1.00 0.00 C ATOM 1677 C LEU A1006 -3.121 9.172 -1.472 1.00 0.00 C ATOM 1678 O LEU A1006 -2.828 9.635 -2.574 1.00 0.00 O ATOM 1679 CB LEU A1006 -1.581 7.218 -1.282 1.00 0.00 C ATOM 1680 CG LEU A1006 -0.640 7.918 -0.300 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -0.997 7.556 1.134 1.00 0.00 C ATOM 1682 CD2 LEU A1006 0.806 7.553 -0.597 1.00 0.00 C ATOM 0 H LEU A1006 -3.338 6.579 -2.973 1.00 0.00 H new ATOM 0 HA LEU A1006 -3.429 7.470 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -1.540 6.144 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -1.214 7.383 -2.295 1.00 0.00 H new ATOM 0 HG LEU A1006 -0.756 8.995 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -0.316 8.064 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.021 7.867 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -0.910 6.478 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A1006 1.462 8.060 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A1006 0.936 6.475 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A1006 1.058 7.863 -1.611 1.00 0.00 H new ATOM 1694 N SER A1007 -3.506 9.928 -0.450 1.00 0.00 N ATOM 1695 CA SER A1007 -3.608 11.379 -0.567 1.00 0.00 C ATOM 1696 C SER A1007 -2.337 12.044 -0.054 1.00 0.00 C ATOM 1697 O SER A1007 -1.744 12.888 -0.725 1.00 0.00 O ATOM 1698 CB SER A1007 -4.817 11.894 0.215 1.00 0.00 C ATOM 1699 OG SER A1007 -4.931 13.303 0.112 1.00 0.00 O ATOM 0 H SER A1007 -3.753 9.561 0.469 1.00 0.00 H new ATOM 0 HA SER A1007 -3.737 11.630 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A1007 -5.725 11.424 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A1007 -4.724 11.610 1.263 1.00 0.00 H new ATOM 0 HG SER A1007 -5.713 13.606 0.620 1.00 0.00 H new ATOM 1705 N GLY A1008 -1.930 11.646 1.146 1.00 0.00 N ATOM 1706 CA GLY A1008 -0.733 12.192 1.755 1.00 0.00 C ATOM 1707 C GLY A1008 -0.612 11.791 3.210 1.00 0.00 C ATOM 1708 O GLY A1008 -1.510 12.068 4.006 1.00 0.00 O ATOM 0 H GLY A1008 -2.413 10.948 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A1008 0.144 11.846 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A1008 -0.749 13.279 1.677 1.00 0.00 H new ATOM 1712 N ASN A1009 0.496 11.131 3.554 1.00 0.00 N ATOM 1713 CA ASN A1009 0.740 10.673 4.923 1.00 0.00 C ATOM 1714 C ASN A1009 -0.148 9.481 5.272 1.00 0.00 C ATOM 1715 O ASN A1009 0.275 8.568 5.981 1.00 0.00 O ATOM 1716 CB ASN A1009 0.498 11.801 5.928 1.00 0.00 C ATOM 1717 CG ASN A1009 1.342 13.027 5.644 1.00 0.00 C ATOM 1718 OD1 ASN A1009 1.238 13.634 4.578 1.00 0.00 O ATOM 1719 ND2 ASN A1009 2.187 13.398 6.599 1.00 0.00 N ATOM 0 H ASN A1009 1.243 10.901 2.898 1.00 0.00 H new ATOM 0 HA ASN A1009 1.783 10.363 4.980 1.00 0.00 H new ATOM 0 HB2 ASN A1009 -0.556 12.078 5.910 1.00 0.00 H new ATOM 0 HB3 ASN A1009 0.716 11.440 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A1009 2.782 14.215 6.464 1.00 0.00 H new ATOM 0 HD22 ASN A1009 2.241 12.866 7.467 1.00 0.00 H new ATOM 1726 N THR A1010 -1.383 9.501 4.779 1.00 0.00 N ATOM 1727 CA THR A1010 -2.333 8.432 5.047 1.00 0.00 C ATOM 1728 C THR A1010 -3.248 8.193 3.849 1.00 0.00 C ATOM 1729 O THR A1010 -3.744 9.136 3.234 1.00 0.00 O ATOM 1730 CB THR A1010 -3.193 8.760 6.280 1.00 0.00 C ATOM 1731 OG1 THR A1010 -2.364 8.866 7.443 1.00 0.00 O ATOM 1732 CG2 THR A1010 -4.254 7.697 6.504 1.00 0.00 C ATOM 0 H THR A1010 -1.748 10.250 4.190 1.00 0.00 H new ATOM 0 HA THR A1010 -1.755 7.528 5.239 1.00 0.00 H new ATOM 0 HB THR A1010 -3.691 9.713 6.100 1.00 0.00 H new ATOM 0 HG1 THR A1010 -2.919 9.077 8.223 1.00 0.00 H new ATOM 0 HG21 THR A1010 -4.847 7.954 7.382 1.00 0.00 H new ATOM 0 HG22 THR A1010 -4.904 7.642 5.631 1.00 0.00 H new ATOM 0 HG23 THR A1010 -3.774 6.731 6.661 1.00 0.00 H new ATOM 1740 N ALA A1011 -3.465 6.923 3.525 1.00 0.00 N ATOM 1741 CA ALA A1011 -4.317 6.547 2.403 1.00 0.00 C ATOM 1742 C ALA A1011 -5.791 6.555 2.797 1.00 0.00 C ATOM 1743 O ALA A1011 -6.136 6.325 3.956 1.00 0.00 O ATOM 1744 CB ALA A1011 -3.918 5.176 1.876 1.00 0.00 C ATOM 0 H ALA A1011 -3.060 6.133 4.027 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.178 7.286 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -4.562 4.907 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -2.881 5.202 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -4.026 4.436 2.669 1.00 0.00 H new ATOM 1750 N HIS A1012 -6.657 6.821 1.822 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.097 6.856 2.061 1.00 0.00 C ATOM 1752 C HIS A1012 -8.865 6.519 0.786 1.00 0.00 C ATOM 1753 O HIS A1012 -8.414 6.819 -0.320 1.00 0.00 O ATOM 1754 CB HIS A1012 -8.526 8.231 2.585 1.00 0.00 C ATOM 1755 CG HIS A1012 -8.328 9.346 1.604 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -8.940 9.381 0.369 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -7.586 10.475 1.685 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -8.584 10.483 -0.267 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -7.764 11.164 0.511 1.00 0.00 N ATOM 0 H HIS A1012 -6.386 7.016 0.858 1.00 0.00 H new ATOM 0 HA HIS A1012 -8.331 6.106 2.817 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -9.579 8.190 2.865 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -7.964 8.454 3.492 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -9.570 8.667 0.003 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -6.969 10.778 2.518 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -8.909 10.776 -1.254 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.021 5.879 0.947 1.00 0.00 N ATOM 1769 CA TRP A1013 -10.842 5.488 -0.191 1.00 0.00 C ATOM 1770 C TRP A1013 -11.354 6.707 -0.949 1.00 0.00 C ATOM 1771 O TRP A1013 -11.749 7.709 -0.352 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.015 4.618 0.264 1.00 0.00 C ATOM 1773 CG TRP A1013 -11.586 3.352 0.942 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -11.408 3.155 2.282 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.255 2.111 0.307 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -11.009 1.862 2.519 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -10.903 1.204 1.324 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.228 1.677 -1.021 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -10.527 -0.109 1.054 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -10.854 0.373 -1.288 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.508 -0.506 -0.255 1.00 0.00 C ATOM 0 H TRP A1013 -10.408 5.621 1.855 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.215 4.907 -0.867 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -12.642 5.193 0.946 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -12.630 4.369 -0.601 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -11.559 3.906 3.044 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -10.822 1.458 3.437 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.494 2.348 -1.824 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -10.260 -0.789 1.849 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -10.828 0.027 -2.311 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.220 -1.519 -0.496 1.00 0.00 H new ATOM 1792 N SER A1014 -11.337 6.605 -2.272 1.00 0.00 N ATOM 1793 CA SER A1014 -11.788 7.681 -3.145 1.00 0.00 C ATOM 1794 C SER A1014 -13.264 7.986 -2.929 1.00 0.00 C ATOM 1795 O SER A1014 -13.740 9.069 -3.270 1.00 0.00 O ATOM 1796 CB SER A1014 -11.559 7.297 -4.606 1.00 0.00 C ATOM 1797 OG SER A1014 -10.198 7.003 -4.854 1.00 0.00 O ATOM 0 H SER A1014 -11.011 5.776 -2.769 1.00 0.00 H new ATOM 0 HA SER A1014 -11.211 8.573 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A1014 -12.172 6.431 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A1014 -11.881 8.113 -5.253 1.00 0.00 H new ATOM 0 HG SER A1014 -10.017 6.069 -4.618 1.00 0.00 H new ATOM 1803 N THR A1015 -13.991 7.018 -2.383 1.00 0.00 N ATOM 1804 CA THR A1015 -15.420 7.182 -2.152 1.00 0.00 C ATOM 1805 C THR A1015 -15.841 6.606 -0.805 1.00 0.00 C ATOM 1806 O THR A1015 -15.434 5.507 -0.431 1.00 0.00 O ATOM 1807 CB THR A1015 -16.232 6.490 -3.257 1.00 0.00 C ATOM 1808 OG1 THR A1015 -15.810 6.957 -4.545 1.00 0.00 O ATOM 1809 CG2 THR A1015 -17.718 6.747 -3.087 1.00 0.00 C ATOM 0 H THR A1015 -13.616 6.115 -2.093 1.00 0.00 H new ATOM 0 HA THR A1015 -15.620 8.253 -2.159 1.00 0.00 H new ATOM 0 HB THR A1015 -16.055 5.417 -3.181 1.00 0.00 H new ATOM 0 HG1 THR A1015 -16.332 6.509 -5.243 1.00 0.00 H new ATOM 0 HG21 THR A1015 -18.268 6.245 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A1015 -18.046 6.362 -2.121 1.00 0.00 H new ATOM 0 HG23 THR A1015 -17.910 7.819 -3.134 1.00 0.00 H new ATOM 1817 N LYS A1016 -16.667 7.358 -0.088 1.00 0.00 N ATOM 1818 CA LYS A1016 -17.159 6.931 1.214 1.00 0.00 C ATOM 1819 C LYS A1016 -18.187 5.813 1.064 1.00 0.00 C ATOM 1820 O LYS A1016 -18.920 5.762 0.076 1.00 0.00 O ATOM 1821 CB LYS A1016 -17.772 8.113 1.962 1.00 0.00 C ATOM 1822 CG LYS A1016 -18.983 8.714 1.267 1.00 0.00 C ATOM 1823 CD LYS A1016 -19.564 9.865 2.070 1.00 0.00 C ATOM 1824 CE LYS A1016 -20.740 10.507 1.352 1.00 0.00 C ATOM 1825 NZ LYS A1016 -20.349 11.052 0.023 1.00 0.00 N ATOM 0 H LYS A1016 -17.011 8.270 -0.389 1.00 0.00 H new ATOM 0 HA LYS A1016 -16.316 6.548 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -18.062 7.788 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -17.014 8.886 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -18.699 9.066 0.276 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -19.743 7.945 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -19.886 9.503 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -18.791 10.613 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -21.533 9.770 1.223 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -21.147 11.309 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -21.092 11.694 -0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -19.454 11.574 0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -20.228 10.269 -0.651 1.00 0.00 H new ATOM 1839 N PRO A1017 -18.254 4.896 2.044 1.00 0.00 N ATOM 1840 CA PRO A1017 -19.197 3.773 2.012 1.00 0.00 C ATOM 1841 C PRO A1017 -20.652 4.236 1.956 1.00 0.00 C ATOM 1842 O PRO A1017 -21.079 5.063 2.761 1.00 0.00 O ATOM 1843 CB PRO A1017 -18.923 3.029 3.326 1.00 0.00 C ATOM 1844 CG PRO A1017 -17.559 3.465 3.739 1.00 0.00 C ATOM 1845 CD PRO A1017 -17.419 4.879 3.256 1.00 0.00 C ATOM 0 HA PRO A1017 -19.059 3.157 1.124 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -19.664 3.281 4.084 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -18.966 1.949 3.185 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -17.441 3.408 4.821 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -16.794 2.824 3.301 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -17.769 5.596 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -16.381 5.130 3.035 1.00 0.00 H new ATOM 1853 N PRO A1018 -21.435 3.703 0.998 1.00 0.00 N ATOM 1854 CA PRO A1018 -22.852 4.061 0.839 1.00 0.00 C ATOM 1855 C PRO A1018 -23.695 3.648 2.039 1.00 0.00 C ATOM 1856 O PRO A1018 -23.188 3.525 3.154 1.00 0.00 O ATOM 1857 CB PRO A1018 -23.280 3.284 -0.409 1.00 0.00 C ATOM 1858 CG PRO A1018 -22.299 2.170 -0.526 1.00 0.00 C ATOM 1859 CD PRO A1018 -21.002 2.712 -0.001 1.00 0.00 C ATOM 0 HA PRO A1018 -22.990 5.139 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -24.297 2.905 -0.308 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -23.263 3.919 -1.294 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -22.622 1.302 0.049 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -22.197 1.846 -1.562 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -20.390 1.929 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -20.407 3.170 -0.791 1.00 0.00 H new ATOM 1867 N ILE A1019 -24.987 3.438 1.806 1.00 0.00 N ATOM 1868 CA ILE A1019 -25.897 3.041 2.878 1.00 0.00 C ATOM 1869 C ILE A1019 -26.898 1.993 2.426 1.00 0.00 C ATOM 1870 O ILE A1019 -27.446 2.072 1.329 1.00 0.00 O ATOM 1871 CB ILE A1019 -26.726 4.224 3.403 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -25.847 5.403 3.801 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -27.574 3.777 4.586 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -26.662 6.596 4.241 1.00 0.00 C ATOM 0 H ILE A1019 -25.427 3.535 0.891 1.00 0.00 H new ATOM 0 HA ILE A1019 -25.246 2.644 3.657 1.00 0.00 H new ATOM 0 HB ILE A1019 -27.375 4.560 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -25.181 5.101 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -25.217 5.686 2.958 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -28.159 4.620 4.953 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -28.246 2.979 4.271 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -26.925 3.412 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -25.994 7.412 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -27.309 6.916 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -27.272 6.322 5.102 1.00 0.00 H new ATOM 1886 N CYS A1020 -27.185 1.049 3.306 1.00 0.00 N ATOM 1887 CA CYS A1020 -28.181 0.034 3.025 1.00 0.00 C ATOM 1888 C CYS A1020 -29.469 0.416 3.738 1.00 0.00 C ATOM 1889 O CYS A1020 -29.461 0.674 4.942 1.00 0.00 O ATOM 1890 CB CYS A1020 -27.698 -1.346 3.470 1.00 0.00 C ATOM 1891 SG CYS A1020 -26.263 -1.958 2.530 1.00 0.00 S ATOM 0 H CYS A1020 -26.741 0.966 4.221 1.00 0.00 H new ATOM 0 HA CYS A1020 -28.357 -0.021 1.951 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -27.438 -1.306 4.528 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -28.517 -2.058 3.369 1.00 0.00 H new ATOM 1896 N GLN A1021 -30.568 0.494 2.998 1.00 0.00 N ATOM 1897 CA GLN A1021 -31.836 0.897 3.593 1.00 0.00 C ATOM 1898 C GLN A1021 -33.009 0.171 2.946 1.00 0.00 C ATOM 1899 O GLN A1021 -33.053 0.009 1.729 1.00 0.00 O ATOM 1900 CB GLN A1021 -32.015 2.407 3.430 1.00 0.00 C ATOM 1901 CG GLN A1021 -32.836 3.057 4.528 1.00 0.00 C ATOM 1902 CD GLN A1021 -33.160 4.514 4.247 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -32.690 5.027 3.113 1.00 0.00 O flip ATOM 1904 NE2 GLN A1021 -33.826 5.175 5.043 1.00 0.00 N flip ATOM 0 H GLN A1021 -30.608 0.287 2.000 1.00 0.00 H new ATOM 0 HA GLN A1021 -31.817 0.633 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -31.032 2.877 3.400 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -32.492 2.604 2.470 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -33.766 2.502 4.655 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -32.292 2.987 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -34.168 4.745 5.902 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -34.036 6.153 4.844 1.00 0.00 H new ATOM 1913 N ARG A1022 -33.954 -0.262 3.775 1.00 0.00 N ATOM 1914 CA ARG A1022 -35.135 -0.974 3.299 1.00 0.00 C ATOM 1915 C ARG A1022 -35.749 -0.296 2.090 1.00 0.00 C ATOM 1916 O ARG A1022 -35.905 0.925 2.049 1.00 0.00 O ATOM 1917 CB ARG A1022 -36.179 -1.083 4.410 1.00 0.00 C ATOM 1918 CG ARG A1022 -37.530 -1.576 3.916 1.00 0.00 C ATOM 1919 CD ARG A1022 -38.539 -1.684 5.048 1.00 0.00 C ATOM 1920 NE ARG A1022 -38.776 -0.396 5.695 1.00 0.00 N ATOM 1921 CZ ARG A1022 -39.639 -0.218 6.690 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -40.347 -1.241 7.149 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -39.795 0.985 7.226 1.00 0.00 N ATOM 0 H ARG A1022 -33.924 -0.131 4.786 1.00 0.00 H new ATOM 0 HA ARG A1022 -34.813 -1.973 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -35.811 -1.761 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -36.305 -0.107 4.879 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -37.909 -0.895 3.154 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -37.410 -2.550 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -39.480 -2.073 4.659 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -38.179 -2.400 5.787 1.00 0.00 H new ATOM 0 HE ARG A1022 -38.249 0.413 5.364 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -40.230 -2.167 6.738 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -41.009 -1.102 7.913 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -39.253 1.774 6.875 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -40.457 1.121 7.990 1.00 0.00 H new ATOM 1937 N ILE A1023 -36.101 -1.112 1.110 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.710 -0.626 -0.109 1.00 0.00 C ATOM 1939 C ILE A1023 -38.166 -0.236 0.135 1.00 0.00 C ATOM 1940 O ILE A1023 -38.949 -1.031 0.657 1.00 0.00 O ATOM 1941 CB ILE A1023 -36.650 -1.694 -1.211 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -35.213 -2.184 -1.404 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -37.200 -1.130 -2.503 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -35.077 -3.287 -2.432 1.00 0.00 C ATOM 0 H ILE A1023 -35.972 -2.123 1.140 1.00 0.00 H new ATOM 0 HA ILE A1023 -36.151 0.253 -0.432 1.00 0.00 H new ATOM 0 HB ILE A1023 -37.261 -2.546 -0.912 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -34.589 -1.342 -1.703 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -34.829 -2.541 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -37.155 -1.892 -3.281 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -38.236 -0.824 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -36.606 -0.267 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -34.031 -3.582 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -35.673 -4.146 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -35.429 -2.928 -3.399 1.00 0.00 H new ATOM 1956 N PRO A1024 -38.551 0.995 -0.236 1.00 0.00 N ATOM 1957 CA PRO A1024 -39.920 1.486 -0.052 1.00 0.00 C ATOM 1958 C PRO A1024 -40.919 0.785 -0.967 1.00 0.00 C ATOM 1959 O PRO A1024 -42.132 1.048 -0.828 1.00 0.00 O ATOM 1960 CB PRO A1024 -39.805 2.968 -0.411 1.00 0.00 C ATOM 1961 CG PRO A1024 -38.673 3.021 -1.372 1.00 0.00 C ATOM 1962 CD PRO A1024 -37.687 2.012 -0.864 1.00 0.00 C ATOM 1963 OXT PRO A1024 -40.480 -0.019 -1.815 1.00 0.00 O ATOM 0 HA PRO A1024 -40.292 1.303 0.956 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -40.726 3.342 -0.858 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -39.608 3.578 0.471 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -39.001 2.778 -2.383 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -38.234 4.018 -1.410 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.088 1.591 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -36.993 2.451 -0.147 1.00 0.00 H new