USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 976 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: A1009 ASN : amide:sc= -0.418 K(o=-0.42,f=-1.9!) USER MOD Set 1.2: A1010 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 971 ASN :FLIP amide:sc= -0.577 F(o=-5.8!,f=-3.6) USER MOD Set 2.2: A 994 HIS :FLIP no HD1:sc= -2.99! F(o=-5.8,f=-3.6!) USER MOD Set 3.1: A 973 MET CE :methyl 147:sc= -0.387 (180deg=-1.06) USER MOD Set 3.2: A 975 HIS : no HD1:sc=-0.00184 X(o=-3.3,f=-3.2) USER MOD Set 3.3: A 987 THR OG1 : rot 180:sc= -2.89! USER MOD Set 4.1: A 927 SER OG : rot -66:sc= 1.26 USER MOD Set 4.2: A 944 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 901 HIS : no HE2:sc= -0.0117 K(o=-0.012,f=-3.5!) USER MOD Single : A 903 GLN : amide:sc= -2.02 X(o=-2,f=-2.1) USER MOD Single : A 907 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.029) USER MOD Single : A 912 LYS NZ :NH3+ 143:sc= -3.33! (180deg=-6.01!) USER MOD Single : A 914 LYS NZ :NH3+ -164:sc= -0.565 (180deg=-1) USER MOD Single : A 915 THR OG1 : rot -150:sc= 0 USER MOD Single : A 916 GLN : amide:sc= -2.47 X(o=-2.5,f=-2.7) USER MOD Single : A 917 THR OG1 : rot 180:sc= -2.7! USER MOD Single : A 918 THR OG1 : rot 180:sc= 0 USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 926 THR OG1 : rot -127:sc= -2.15! USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 930 TYR OH : rot 180:sc= -1.94! USER MOD Single : A 936 TYR OH : rot 150:sc= -0.837 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 942 SER OG : rot 22:sc= 0.0909 USER MOD Single : A 948 ASN :FLIP amide:sc= -0.685 F(o=-1.3,f=-0.68) USER MOD Single : A 952 SER OG : rot 150:sc= -0.493 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 961 LYS NZ :NH3+ -112:sc= -0.215 (180deg=-3.6!) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ -137:sc= -3.13! (180deg=-5.85!) USER MOD Single : A 965 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 978 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 981 GLN : amide:sc= -2.27! C(o=-2.3!,f=-6.8!) USER MOD Single : A 984 SER OG : rot 34:sc= -1.06 USER MOD Single : A 988 TYR OH : rot -140:sc= -0.433 USER MOD Single : A 989 SER OG : rot 180:sc= -0.0553 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 999 HIS : no HD1:sc= -0.988 K(o=-0.99,f=-1.5) USER MOD Single : A1000 SER OG : rot 180:sc= 0 USER MOD Single : A1001 SER OG : rot 170:sc= -0.859 USER MOD Single : A1007 SER OG : rot -72:sc= -0.207 USER MOD Single : A1012 HIS : no HE2:sc= -3.89! C(o=-3.9!,f=-8.3!) USER MOD Single : A1014 SER OG : rot 180:sc= 0 USER MOD Single : A1015 THR OG1 : rot -110:sc= -2.99! USER MOD Single : A1016 LYS NZ :NH3+ -166:sc= -0.0195 (180deg=-0.222) USER MOD Single : A1021 GLN :FLIP amide:sc= -1.58! C(o=-2.6!,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 897 45.583 -6.307 -7.021 1.00 0.00 N ATOM 2 CA GLU A 897 45.696 -4.845 -6.775 1.00 0.00 C ATOM 3 C GLU A 897 44.457 -4.307 -6.064 1.00 0.00 C ATOM 4 O GLU A 897 44.561 -3.485 -5.153 1.00 0.00 O ATOM 5 CB GLU A 897 45.892 -4.137 -8.117 1.00 0.00 C ATOM 6 CG GLU A 897 44.767 -4.385 -9.110 1.00 0.00 C ATOM 7 CD GLU A 897 44.981 -3.663 -10.426 1.00 0.00 C ATOM 8 OE1 GLU A 897 45.069 -2.417 -10.413 1.00 0.00 O ATOM 9 OE2 GLU A 897 45.061 -4.344 -11.470 1.00 0.00 O ATOM 0 HA GLU A 897 46.551 -4.656 -6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 897 45.981 -3.065 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 897 46.833 -4.467 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 897 44.682 -5.455 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 897 43.823 -4.062 -8.672 1.00 0.00 H new ATOM 18 N ALA A 898 43.287 -4.777 -6.487 1.00 0.00 N ATOM 19 CA ALA A 898 42.026 -4.344 -5.895 1.00 0.00 C ATOM 20 C ALA A 898 40.861 -5.182 -6.410 1.00 0.00 C ATOM 21 O ALA A 898 40.754 -5.440 -7.608 1.00 0.00 O ATOM 22 CB ALA A 898 41.783 -2.870 -6.183 1.00 0.00 C ATOM 0 H ALA A 898 43.186 -5.459 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 898 42.095 -4.486 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 898 40.838 -2.563 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 898 42.595 -2.278 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 898 41.742 -2.712 -7.261 1.00 0.00 H new ATOM 28 N GLU A 899 39.990 -5.599 -5.493 1.00 0.00 N ATOM 29 CA GLU A 899 38.826 -6.409 -5.842 1.00 0.00 C ATOM 30 C GLU A 899 37.697 -6.190 -4.841 1.00 0.00 C ATOM 31 O GLU A 899 37.626 -5.148 -4.188 1.00 0.00 O ATOM 32 CB GLU A 899 39.202 -7.896 -5.877 1.00 0.00 C ATOM 33 CG GLU A 899 40.154 -8.272 -7.002 1.00 0.00 C ATOM 34 CD GLU A 899 39.517 -8.162 -8.374 1.00 0.00 C ATOM 35 OE1 GLU A 899 39.075 -7.053 -8.741 1.00 0.00 O ATOM 36 OE2 GLU A 899 39.461 -9.189 -9.084 1.00 0.00 O ATOM 0 H GLU A 899 40.070 -5.388 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 899 38.484 -6.102 -6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 899 39.658 -8.166 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 899 38.291 -8.487 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 899 41.031 -7.626 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 899 40.503 -9.293 -6.850 1.00 0.00 H new ATOM 43 N ALA A 900 36.822 -7.181 -4.726 1.00 0.00 N ATOM 44 CA ALA A 900 35.692 -7.116 -3.805 1.00 0.00 C ATOM 45 C ALA A 900 34.776 -5.936 -4.115 1.00 0.00 C ATOM 46 O ALA A 900 34.576 -5.578 -5.275 1.00 0.00 O ATOM 47 CB ALA A 900 36.183 -7.053 -2.366 1.00 0.00 C ATOM 0 H ALA A 900 36.874 -8.046 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 900 35.106 -8.025 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 900 35.328 -7.005 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 900 36.771 -7.943 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 900 36.802 -6.166 -2.231 1.00 0.00 H new ATOM 53 N HIS A 901 34.210 -5.357 -3.060 1.00 0.00 N ATOM 54 CA HIS A 901 33.289 -4.228 -3.184 1.00 0.00 C ATOM 55 C HIS A 901 31.988 -4.664 -3.851 1.00 0.00 C ATOM 56 O HIS A 901 31.998 -5.261 -4.929 1.00 0.00 O ATOM 57 CB HIS A 901 33.934 -3.084 -3.970 1.00 0.00 C ATOM 58 CG HIS A 901 35.111 -2.477 -3.274 1.00 0.00 C ATOM 59 ND1 HIS A 901 36.220 -3.204 -2.895 1.00 0.00 N ATOM 60 CD2 HIS A 901 35.352 -1.201 -2.888 1.00 0.00 C ATOM 61 CE1 HIS A 901 37.090 -2.404 -2.306 1.00 0.00 C ATOM 62 NE2 HIS A 901 36.587 -1.185 -2.289 1.00 0.00 N ATOM 0 H HIS A 901 34.375 -5.654 -2.098 1.00 0.00 H new ATOM 0 HA HIS A 901 33.059 -3.868 -2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 901 34.249 -3.455 -4.945 1.00 0.00 H new ATOM 0 HB3 HIS A 901 33.188 -2.310 -4.149 1.00 0.00 H new ATOM 0 HD1 HIS A 901 36.348 -4.205 -3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 901 34.695 -0.355 -3.026 1.00 0.00 H new ATOM 0 HE1 HIS A 901 38.049 -2.698 -1.907 1.00 0.00 H new ATOM 71 N CYS A 902 30.869 -4.366 -3.198 1.00 0.00 N ATOM 72 CA CYS A 902 29.555 -4.730 -3.719 1.00 0.00 C ATOM 73 C CYS A 902 29.066 -3.722 -4.750 1.00 0.00 C ATOM 74 O CYS A 902 29.079 -2.515 -4.512 1.00 0.00 O ATOM 75 CB CYS A 902 28.547 -4.845 -2.574 1.00 0.00 C ATOM 76 SG CYS A 902 28.676 -3.510 -1.343 1.00 0.00 S ATOM 0 H CYS A 902 30.846 -3.873 -2.306 1.00 0.00 H new ATOM 0 HA CYS A 902 29.647 -5.697 -4.214 1.00 0.00 H new ATOM 0 HB2 CYS A 902 27.539 -4.848 -2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 902 28.688 -5.803 -2.073 1.00 0.00 H new ATOM 81 N GLN A 903 28.632 -4.231 -5.897 1.00 0.00 N ATOM 82 CA GLN A 903 28.134 -3.384 -6.974 1.00 0.00 C ATOM 83 C GLN A 903 26.829 -2.695 -6.588 1.00 0.00 C ATOM 84 O GLN A 903 26.346 -2.836 -5.463 1.00 0.00 O ATOM 85 CB GLN A 903 27.946 -4.208 -8.249 1.00 0.00 C ATOM 86 CG GLN A 903 27.203 -5.512 -8.025 1.00 0.00 C ATOM 87 CD GLN A 903 25.735 -5.309 -7.714 1.00 0.00 C ATOM 88 OE1 GLN A 903 24.965 -4.867 -8.567 1.00 0.00 O ATOM 89 NE2 GLN A 903 25.341 -5.619 -6.485 1.00 0.00 N ATOM 0 H GLN A 903 28.615 -5.229 -6.105 1.00 0.00 H new ATOM 0 HA GLN A 903 28.875 -2.606 -7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 903 27.402 -3.611 -8.981 1.00 0.00 H new ATOM 0 HB3 GLN A 903 28.924 -4.426 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 903 27.298 -6.135 -8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 903 27.671 -6.055 -7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 903 26.014 -5.983 -5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 903 24.365 -5.494 -6.215 1.00 0.00 H new ATOM 98 N ALA A 904 26.274 -1.946 -7.535 1.00 0.00 N ATOM 99 CA ALA A 904 25.029 -1.214 -7.324 1.00 0.00 C ATOM 100 C ALA A 904 23.963 -2.080 -6.652 1.00 0.00 C ATOM 101 O ALA A 904 23.791 -3.247 -6.997 1.00 0.00 O ATOM 102 CB ALA A 904 24.513 -0.671 -8.647 1.00 0.00 C ATOM 0 H ALA A 904 26.672 -1.829 -8.467 1.00 0.00 H new ATOM 0 HA ALA A 904 25.244 -0.383 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 904 23.584 -0.126 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 904 25.255 0.001 -9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 904 24.330 -1.498 -9.333 1.00 0.00 H new ATOM 108 N PRO A 905 23.228 -1.509 -5.680 1.00 0.00 N ATOM 109 CA PRO A 905 22.170 -2.216 -4.954 1.00 0.00 C ATOM 110 C PRO A 905 20.908 -2.384 -5.795 1.00 0.00 C ATOM 111 O PRO A 905 19.851 -1.854 -5.449 1.00 0.00 O ATOM 112 CB PRO A 905 21.882 -1.315 -3.742 1.00 0.00 C ATOM 113 CG PRO A 905 22.899 -0.219 -3.788 1.00 0.00 C ATOM 114 CD PRO A 905 23.363 -0.127 -5.211 1.00 0.00 C ATOM 0 HA PRO A 905 22.478 -3.226 -4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 905 20.871 -0.910 -3.789 1.00 0.00 H new ATOM 0 HB3 PRO A 905 21.957 -1.878 -2.812 1.00 0.00 H new ATOM 0 HG2 PRO A 905 22.466 0.726 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 905 23.734 -0.436 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 905 22.750 0.561 -5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 905 24.392 0.226 -5.280 1.00 0.00 H new ATOM 122 N ASP A 906 21.027 -3.127 -6.896 1.00 0.00 N ATOM 123 CA ASP A 906 19.904 -3.370 -7.794 1.00 0.00 C ATOM 124 C ASP A 906 19.015 -2.132 -7.893 1.00 0.00 C ATOM 125 O ASP A 906 19.507 -1.021 -8.092 1.00 0.00 O ATOM 126 CB ASP A 906 19.109 -4.580 -7.299 1.00 0.00 C ATOM 127 CG ASP A 906 18.243 -5.204 -8.382 1.00 0.00 C ATOM 128 OD1 ASP A 906 17.385 -4.497 -8.950 1.00 0.00 O ATOM 129 OD2 ASP A 906 18.427 -6.407 -8.662 1.00 0.00 O ATOM 0 H ASP A 906 21.897 -3.573 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 906 20.283 -3.583 -8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 906 19.801 -5.331 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 906 18.476 -4.276 -6.465 1.00 0.00 H new ATOM 134 N HIS A 907 17.717 -2.328 -7.755 1.00 0.00 N ATOM 135 CA HIS A 907 16.763 -1.226 -7.828 1.00 0.00 C ATOM 136 C HIS A 907 15.440 -1.615 -7.177 1.00 0.00 C ATOM 137 O HIS A 907 14.785 -2.568 -7.599 1.00 0.00 O ATOM 138 CB HIS A 907 16.528 -0.831 -9.289 1.00 0.00 C ATOM 139 CG HIS A 907 15.690 0.400 -9.466 1.00 0.00 C ATOM 140 ND1 HIS A 907 15.345 0.900 -10.704 1.00 0.00 N ATOM 141 CD2 HIS A 907 15.130 1.236 -8.557 1.00 0.00 C ATOM 142 CE1 HIS A 907 14.612 1.988 -10.550 1.00 0.00 C ATOM 143 NE2 HIS A 907 14.466 2.213 -9.257 1.00 0.00 N ATOM 0 H HIS A 907 17.294 -3.241 -7.591 1.00 0.00 H new ATOM 0 HA HIS A 907 17.179 -0.375 -7.288 1.00 0.00 H new ATOM 0 HB2 HIS A 907 17.493 -0.672 -9.770 1.00 0.00 H new ATOM 0 HB3 HIS A 907 16.047 -1.662 -9.805 1.00 0.00 H new ATOM 0 HD2 HIS A 907 15.194 1.149 -7.482 1.00 0.00 H new ATOM 0 HE1 HIS A 907 14.202 2.591 -11.346 1.00 0.00 H new ATOM 0 HE2 HIS A 907 13.945 2.987 -8.845 1.00 0.00 H new ATOM 152 N PHE A 908 15.051 -0.866 -6.150 1.00 0.00 N ATOM 153 CA PHE A 908 13.803 -1.127 -5.445 1.00 0.00 C ATOM 154 C PHE A 908 12.643 -0.393 -6.101 1.00 0.00 C ATOM 155 O PHE A 908 12.763 0.774 -6.471 1.00 0.00 O ATOM 156 CB PHE A 908 13.917 -0.723 -3.976 1.00 0.00 C ATOM 157 CG PHE A 908 14.929 -1.525 -3.213 1.00 0.00 C ATOM 158 CD1 PHE A 908 16.284 -1.367 -3.453 1.00 0.00 C ATOM 159 CD2 PHE A 908 14.523 -2.433 -2.251 1.00 0.00 C ATOM 160 CE1 PHE A 908 17.217 -2.104 -2.748 1.00 0.00 C ATOM 161 CE2 PHE A 908 15.450 -3.172 -1.542 1.00 0.00 C ATOM 162 CZ PHE A 908 16.799 -3.007 -1.790 1.00 0.00 C ATOM 0 H PHE A 908 15.582 -0.074 -5.788 1.00 0.00 H new ATOM 0 HA PHE A 908 13.608 -2.198 -5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 908 14.182 0.333 -3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 908 12.943 -0.834 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 908 16.615 -0.660 -4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 908 13.470 -2.565 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 908 18.271 -1.974 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 908 15.120 -3.878 -0.794 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.525 -3.583 -1.236 1.00 0.00 H new ATOM 172 N LEU A 909 11.524 -1.089 -6.246 1.00 0.00 N ATOM 173 CA LEU A 909 10.341 -0.511 -6.865 1.00 0.00 C ATOM 174 C LEU A 909 9.598 0.397 -5.898 1.00 0.00 C ATOM 175 O LEU A 909 9.400 1.578 -6.172 1.00 0.00 O ATOM 176 CB LEU A 909 9.413 -1.620 -7.344 1.00 0.00 C ATOM 177 CG LEU A 909 10.084 -2.678 -8.213 1.00 0.00 C ATOM 178 CD1 LEU A 909 9.076 -3.736 -8.618 1.00 0.00 C ATOM 179 CD2 LEU A 909 10.721 -2.037 -9.436 1.00 0.00 C ATOM 0 H LEU A 909 11.411 -2.056 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 909 10.665 0.090 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 909 8.973 -2.108 -6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 909 8.594 -1.173 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 909 10.874 -3.159 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 909 9.566 -4.487 -9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 909 8.670 -4.212 -7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 909 8.267 -3.271 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 909 11.195 -2.807 -10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 909 9.954 -1.531 -10.023 1.00 0.00 H new ATOM 0 HD23 LEU A 909 11.471 -1.313 -9.118 1.00 0.00 H new ATOM 191 N PHE A 910 9.182 -0.164 -4.769 1.00 0.00 N ATOM 192 CA PHE A 910 8.450 0.598 -3.765 1.00 0.00 C ATOM 193 C PHE A 910 9.397 1.343 -2.832 1.00 0.00 C ATOM 194 O PHE A 910 9.055 1.626 -1.684 1.00 0.00 O ATOM 195 CB PHE A 910 7.532 -0.330 -2.962 1.00 0.00 C ATOM 196 CG PHE A 910 8.195 -1.592 -2.478 1.00 0.00 C ATOM 197 CD1 PHE A 910 9.416 -1.555 -1.822 1.00 0.00 C ATOM 198 CD2 PHE A 910 7.589 -2.823 -2.682 1.00 0.00 C ATOM 199 CE1 PHE A 910 10.019 -2.717 -1.379 1.00 0.00 C ATOM 200 CE2 PHE A 910 8.187 -3.988 -2.242 1.00 0.00 C ATOM 201 CZ PHE A 910 9.403 -3.936 -1.590 1.00 0.00 C ATOM 0 H PHE A 910 9.339 -1.142 -4.526 1.00 0.00 H new ATOM 0 HA PHE A 910 7.842 1.339 -4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.146 0.216 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 910 6.675 -0.598 -3.580 1.00 0.00 H new ATOM 0 HD1 PHE A 910 9.902 -0.605 -1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 910 6.638 -2.871 -3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 910 10.970 -2.672 -0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 910 7.703 -4.939 -2.408 1.00 0.00 H new ATOM 0 HZ PHE A 910 9.872 -4.846 -1.246 1.00 0.00 H new ATOM 211 N ALA A 911 10.585 1.666 -3.332 1.00 0.00 N ATOM 212 CA ALA A 911 11.569 2.386 -2.533 1.00 0.00 C ATOM 213 C ALA A 911 12.561 3.136 -3.414 1.00 0.00 C ATOM 214 O ALA A 911 13.248 2.537 -4.240 1.00 0.00 O ATOM 215 CB ALA A 911 12.303 1.424 -1.612 1.00 0.00 C ATOM 0 H ALA A 911 10.888 1.442 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 911 11.037 3.122 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 911 13.035 1.974 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.588 0.941 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.813 0.667 -2.208 1.00 0.00 H new ATOM 221 N LYS A 912 12.641 4.449 -3.221 1.00 0.00 N ATOM 222 CA LYS A 912 13.564 5.276 -3.989 1.00 0.00 C ATOM 223 C LYS A 912 14.808 5.586 -3.171 1.00 0.00 C ATOM 224 O LYS A 912 14.715 5.996 -2.013 1.00 0.00 O ATOM 225 CB LYS A 912 12.891 6.578 -4.425 1.00 0.00 C ATOM 226 CG LYS A 912 11.696 6.369 -5.343 1.00 0.00 C ATOM 227 CD LYS A 912 11.073 7.689 -5.778 1.00 0.00 C ATOM 228 CE LYS A 912 10.385 8.409 -4.625 1.00 0.00 C ATOM 229 NZ LYS A 912 11.350 8.873 -3.591 1.00 0.00 N ATOM 0 H LYS A 912 12.079 4.962 -2.541 1.00 0.00 H new ATOM 0 HA LYS A 912 13.855 4.719 -4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 912 12.567 7.124 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 912 13.624 7.203 -4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 912 12.009 5.808 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 912 10.946 5.766 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 912 11.846 8.333 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 912 10.349 7.503 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 912 9.832 9.265 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 912 9.657 7.741 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 11.043 9.794 -3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 11.388 8.181 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 12.294 8.969 -4.016 1.00 0.00 H new ATOM 243 N LEU A 913 15.972 5.387 -3.781 1.00 0.00 N ATOM 244 CA LEU A 913 17.240 5.646 -3.112 1.00 0.00 C ATOM 245 C LEU A 913 17.245 7.011 -2.434 1.00 0.00 C ATOM 246 O LEU A 913 16.916 8.024 -3.050 1.00 0.00 O ATOM 247 CB LEU A 913 18.392 5.571 -4.105 1.00 0.00 C ATOM 248 CG LEU A 913 19.749 5.972 -3.531 1.00 0.00 C ATOM 249 CD1 LEU A 913 20.203 4.976 -2.475 1.00 0.00 C ATOM 250 CD2 LEU A 913 20.775 6.091 -4.638 1.00 0.00 C ATOM 0 H LEU A 913 16.062 5.047 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 913 17.367 4.879 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.460 4.553 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 913 18.166 6.216 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 913 19.647 6.946 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 913 21.172 5.281 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 913 19.474 4.946 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 913 20.289 3.986 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 913 21.737 6.377 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 913 20.874 5.132 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 913 20.454 6.849 -5.352 1.00 0.00 H new ATOM 262 N LYS A 914 17.631 7.026 -1.166 1.00 0.00 N ATOM 263 CA LYS A 914 17.694 8.261 -0.399 1.00 0.00 C ATOM 264 C LYS A 914 19.101 8.853 -0.435 1.00 0.00 C ATOM 265 O LYS A 914 19.277 10.062 -0.587 1.00 0.00 O ATOM 266 CB LYS A 914 17.277 8.000 1.043 1.00 0.00 C ATOM 267 CG LYS A 914 17.005 9.271 1.825 1.00 0.00 C ATOM 268 CD LYS A 914 16.520 8.972 3.230 1.00 0.00 C ATOM 269 CE LYS A 914 16.086 10.241 3.937 1.00 0.00 C ATOM 270 NZ LYS A 914 14.881 10.845 3.304 1.00 0.00 N ATOM 0 H LYS A 914 17.906 6.193 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 914 17.008 8.979 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 914 16.381 7.379 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 914 18.061 7.433 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 914 17.914 9.870 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 914 16.258 9.868 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 914 15.686 8.271 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 914 17.315 8.489 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 914 15.874 10.019 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 914 16.903 10.962 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 14.775 11.828 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 14.988 10.831 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 14.037 10.299 3.572 1.00 0.00 H new ATOM 284 N THR A 915 20.101 7.987 -0.280 1.00 0.00 N ATOM 285 CA THR A 915 21.499 8.409 -0.276 1.00 0.00 C ATOM 286 C THR A 915 21.923 8.985 -1.626 1.00 0.00 C ATOM 287 O THR A 915 21.479 8.530 -2.680 1.00 0.00 O ATOM 288 CB THR A 915 22.433 7.240 0.089 1.00 0.00 C ATOM 289 OG1 THR A 915 22.029 6.661 1.335 1.00 0.00 O ATOM 290 CG2 THR A 915 23.876 7.713 0.195 1.00 0.00 C ATOM 0 H THR A 915 19.967 6.984 -0.155 1.00 0.00 H new ATOM 0 HA THR A 915 21.584 9.190 0.480 1.00 0.00 H new ATOM 0 HB THR A 915 22.366 6.492 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 915 22.812 6.291 1.793 1.00 0.00 H new ATOM 0 HG21 THR A 915 24.517 6.870 0.454 1.00 0.00 H new ATOM 0 HG22 THR A 915 24.193 8.130 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 915 23.952 8.478 0.968 1.00 0.00 H new ATOM 298 N GLN A 916 22.788 9.995 -1.574 1.00 0.00 N ATOM 299 CA GLN A 916 23.293 10.661 -2.773 1.00 0.00 C ATOM 300 C GLN A 916 24.376 9.840 -3.477 1.00 0.00 C ATOM 301 O GLN A 916 25.440 10.361 -3.810 1.00 0.00 O ATOM 302 CB GLN A 916 23.841 12.043 -2.405 1.00 0.00 C ATOM 303 CG GLN A 916 24.642 12.056 -1.111 1.00 0.00 C ATOM 304 CD GLN A 916 25.871 11.166 -1.156 1.00 0.00 C ATOM 305 OE1 GLN A 916 26.801 11.410 -1.925 1.00 0.00 O ATOM 306 NE2 GLN A 916 25.877 10.124 -0.331 1.00 0.00 N ATOM 0 H GLN A 916 23.158 10.374 -0.702 1.00 0.00 H new ATOM 0 HA GLN A 916 22.460 10.765 -3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 916 24.473 12.402 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 916 23.010 12.742 -2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 916 24.950 13.079 -0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 916 24.000 11.735 -0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 916 25.084 9.960 0.289 1.00 0.00 H new ATOM 0 HE22 GLN A 916 26.674 9.488 -0.318 1.00 0.00 H new ATOM 315 N THR A 917 24.105 8.559 -3.706 1.00 0.00 N ATOM 316 CA THR A 917 25.071 7.688 -4.370 1.00 0.00 C ATOM 317 C THR A 917 25.024 7.857 -5.882 1.00 0.00 C ATOM 318 O THR A 917 23.965 8.101 -6.461 1.00 0.00 O ATOM 319 CB THR A 917 24.832 6.207 -4.034 1.00 0.00 C ATOM 320 OG1 THR A 917 23.602 5.763 -4.614 1.00 0.00 O ATOM 321 CG2 THR A 917 24.791 5.997 -2.534 1.00 0.00 C ATOM 0 H THR A 917 23.231 8.103 -3.444 1.00 0.00 H new ATOM 0 HA THR A 917 26.052 7.984 -3.999 1.00 0.00 H new ATOM 0 HB THR A 917 25.657 5.627 -4.447 1.00 0.00 H new ATOM 0 HG1 THR A 917 23.460 4.818 -4.396 1.00 0.00 H new ATOM 0 HG21 THR A 917 24.621 4.942 -2.319 1.00 0.00 H new ATOM 0 HG22 THR A 917 25.740 6.308 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 917 23.983 6.590 -2.106 1.00 0.00 H new ATOM 329 N THR A 918 26.184 7.719 -6.515 1.00 0.00 N ATOM 330 CA THR A 918 26.291 7.849 -7.961 1.00 0.00 C ATOM 331 C THR A 918 27.177 6.748 -8.534 1.00 0.00 C ATOM 332 O THR A 918 26.948 6.265 -9.643 1.00 0.00 O ATOM 333 CB THR A 918 26.861 9.220 -8.367 1.00 0.00 C ATOM 334 OG1 THR A 918 28.158 9.404 -7.787 1.00 0.00 O ATOM 335 CG2 THR A 918 25.937 10.345 -7.922 1.00 0.00 C ATOM 0 H THR A 918 27.066 7.516 -6.045 1.00 0.00 H new ATOM 0 HA THR A 918 25.284 7.758 -8.367 1.00 0.00 H new ATOM 0 HB THR A 918 26.942 9.246 -9.454 1.00 0.00 H new ATOM 0 HG1 THR A 918 28.514 10.278 -8.052 1.00 0.00 H new ATOM 0 HG21 THR A 918 26.361 11.304 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 918 24.960 10.220 -8.389 1.00 0.00 H new ATOM 0 HG23 THR A 918 25.827 10.318 -6.838 1.00 0.00 H new ATOM 343 N ALA A 919 28.188 6.357 -7.765 1.00 0.00 N ATOM 344 CA ALA A 919 29.113 5.310 -8.182 1.00 0.00 C ATOM 345 C ALA A 919 28.423 3.950 -8.202 1.00 0.00 C ATOM 346 O ALA A 919 27.422 3.742 -7.515 1.00 0.00 O ATOM 347 CB ALA A 919 30.323 5.279 -7.262 1.00 0.00 C ATOM 0 H ALA A 919 28.388 6.752 -6.846 1.00 0.00 H new ATOM 0 HA ALA A 919 29.449 5.534 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 919 31.005 4.493 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 919 30.834 6.241 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 919 29.998 5.081 -6.240 1.00 0.00 H new ATOM 353 N SER A 920 28.959 3.029 -8.996 1.00 0.00 N ATOM 354 CA SER A 920 28.389 1.691 -9.108 1.00 0.00 C ATOM 355 C SER A 920 28.905 0.780 -8.000 1.00 0.00 C ATOM 356 O SER A 920 28.159 -0.032 -7.454 1.00 0.00 O ATOM 357 CB SER A 920 28.714 1.089 -10.470 1.00 0.00 C ATOM 358 OG SER A 920 28.183 1.880 -11.520 1.00 0.00 O ATOM 0 H SER A 920 29.787 3.184 -9.571 1.00 0.00 H new ATOM 0 HA SER A 920 27.307 1.777 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 920 29.795 1.005 -10.585 1.00 0.00 H new ATOM 0 HB3 SER A 920 28.308 0.079 -10.531 1.00 0.00 H new ATOM 0 HG SER A 920 28.407 1.472 -12.382 1.00 0.00 H new ATOM 364 N ASP A 921 30.185 0.919 -7.670 1.00 0.00 N ATOM 365 CA ASP A 921 30.795 0.108 -6.621 1.00 0.00 C ATOM 366 C ASP A 921 30.532 0.719 -5.248 1.00 0.00 C ATOM 367 O ASP A 921 30.480 1.941 -5.103 1.00 0.00 O ATOM 368 CB ASP A 921 32.301 -0.024 -6.857 1.00 0.00 C ATOM 369 CG ASP A 921 32.623 -0.696 -8.177 1.00 0.00 C ATOM 370 OD1 ASP A 921 32.224 -0.157 -9.230 1.00 0.00 O ATOM 371 OD2 ASP A 921 33.276 -1.761 -8.157 1.00 0.00 O ATOM 0 H ASP A 921 30.819 1.584 -8.112 1.00 0.00 H new ATOM 0 HA ASP A 921 30.346 -0.885 -6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 921 32.757 0.966 -6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 921 32.745 -0.597 -6.043 1.00 0.00 H new ATOM 376 N PHE A 922 30.360 -0.136 -4.244 1.00 0.00 N ATOM 377 CA PHE A 922 30.095 0.328 -2.887 1.00 0.00 C ATOM 378 C PHE A 922 30.912 -0.444 -1.856 1.00 0.00 C ATOM 379 O PHE A 922 31.036 -1.667 -1.935 1.00 0.00 O ATOM 380 CB PHE A 922 28.608 0.199 -2.548 1.00 0.00 C ATOM 381 CG PHE A 922 27.723 1.105 -3.347 1.00 0.00 C ATOM 382 CD1 PHE A 922 27.359 0.782 -4.644 1.00 0.00 C ATOM 383 CD2 PHE A 922 27.246 2.281 -2.794 1.00 0.00 C ATOM 384 CE1 PHE A 922 26.538 1.619 -5.376 1.00 0.00 C ATOM 385 CE2 PHE A 922 26.426 3.120 -3.519 1.00 0.00 C ATOM 386 CZ PHE A 922 26.071 2.790 -4.813 1.00 0.00 C ATOM 0 H PHE A 922 30.399 -1.150 -4.344 1.00 0.00 H new ATOM 0 HA PHE A 922 30.388 1.377 -2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 922 28.297 -0.833 -2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.467 0.412 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 922 27.721 -0.134 -5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.519 2.545 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 922 26.262 1.357 -6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 922 26.061 4.035 -3.075 1.00 0.00 H new ATOM 0 HZ PHE A 922 25.430 3.446 -5.383 1.00 0.00 H new ATOM 396 N PRO A 923 31.471 0.271 -0.864 1.00 0.00 N ATOM 397 CA PRO A 923 32.269 -0.342 0.202 1.00 0.00 C ATOM 398 C PRO A 923 31.408 -1.177 1.144 1.00 0.00 C ATOM 399 O PRO A 923 30.318 -0.760 1.535 1.00 0.00 O ATOM 400 CB PRO A 923 32.860 0.860 0.941 1.00 0.00 C ATOM 401 CG PRO A 923 31.898 1.970 0.686 1.00 0.00 C ATOM 402 CD PRO A 923 31.354 1.733 -0.696 1.00 0.00 C ATOM 0 HA PRO A 923 33.023 -1.027 -0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 923 32.960 0.659 2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.855 1.104 0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.098 1.971 1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.393 2.939 0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.320 2.066 -0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 923 31.927 2.271 -1.451 1.00 0.00 H new ATOM 410 N ILE A 924 31.900 -2.358 1.502 1.00 0.00 N ATOM 411 CA ILE A 924 31.168 -3.249 2.394 1.00 0.00 C ATOM 412 C ILE A 924 30.869 -2.571 3.728 1.00 0.00 C ATOM 413 O ILE A 924 31.580 -1.656 4.144 1.00 0.00 O ATOM 414 CB ILE A 924 31.941 -4.553 2.658 1.00 0.00 C ATOM 415 CG1 ILE A 924 32.396 -5.181 1.337 1.00 0.00 C ATOM 416 CG2 ILE A 924 31.060 -5.518 3.433 1.00 0.00 C ATOM 417 CD1 ILE A 924 33.237 -6.427 1.511 1.00 0.00 C ATOM 0 H ILE A 924 32.801 -2.720 1.189 1.00 0.00 H new ATOM 0 HA ILE A 924 30.231 -3.490 1.891 1.00 0.00 H new ATOM 0 HB ILE A 924 32.829 -4.330 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 924 31.517 -5.427 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 924 32.968 -4.444 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 924 31.608 -6.441 3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 924 30.775 -5.067 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 924 30.164 -5.739 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 924 33.521 -6.814 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 924 34.135 -6.184 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 924 32.662 -7.182 2.047 1.00 0.00 H new ATOM 429 N GLY A 925 29.807 -3.022 4.388 1.00 0.00 N ATOM 430 CA GLY A 925 29.421 -2.445 5.662 1.00 0.00 C ATOM 431 C GLY A 925 28.518 -1.244 5.489 1.00 0.00 C ATOM 432 O GLY A 925 27.626 -1.003 6.303 1.00 0.00 O ATOM 0 H GLY A 925 29.206 -3.779 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 925 28.911 -3.199 6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 925 30.315 -2.151 6.212 1.00 0.00 H new ATOM 436 N THR A 926 28.752 -0.491 4.421 1.00 0.00 N ATOM 437 CA THR A 926 27.960 0.695 4.126 1.00 0.00 C ATOM 438 C THR A 926 26.472 0.371 4.039 1.00 0.00 C ATOM 439 O THR A 926 26.049 -0.450 3.224 1.00 0.00 O ATOM 440 CB THR A 926 28.411 1.340 2.801 1.00 0.00 C ATOM 441 OG1 THR A 926 29.716 1.912 2.951 1.00 0.00 O ATOM 442 CG2 THR A 926 27.428 2.408 2.346 1.00 0.00 C ATOM 0 H THR A 926 29.488 -0.683 3.742 1.00 0.00 H new ATOM 0 HA THR A 926 28.120 1.394 4.947 1.00 0.00 H new ATOM 0 HB THR A 926 28.443 0.560 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 926 29.698 2.848 2.661 1.00 0.00 H new ATOM 0 HG21 THR A 926 27.773 2.845 1.409 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.446 1.959 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 926 27.359 3.187 3.106 1.00 0.00 H new ATOM 450 N SER A 927 25.680 1.041 4.871 1.00 0.00 N ATOM 451 CA SER A 927 24.234 0.847 4.878 1.00 0.00 C ATOM 452 C SER A 927 23.566 1.897 3.999 1.00 0.00 C ATOM 453 O SER A 927 23.711 3.097 4.239 1.00 0.00 O ATOM 454 CB SER A 927 23.690 0.938 6.305 1.00 0.00 C ATOM 455 OG SER A 927 24.293 -0.031 7.145 1.00 0.00 O ATOM 0 H SER A 927 26.016 1.724 5.550 1.00 0.00 H new ATOM 0 HA SER A 927 24.012 -0.145 4.483 1.00 0.00 H new ATOM 0 HB2 SER A 927 23.874 1.935 6.705 1.00 0.00 H new ATOM 0 HB3 SER A 927 22.610 0.793 6.295 1.00 0.00 H new ATOM 0 HG SER A 927 24.028 -0.928 6.852 1.00 0.00 H new ATOM 461 N LEU A 928 22.841 1.451 2.980 1.00 0.00 N ATOM 462 CA LEU A 928 22.170 2.375 2.075 1.00 0.00 C ATOM 463 C LEU A 928 20.696 2.517 2.443 1.00 0.00 C ATOM 464 O LEU A 928 19.947 1.542 2.427 1.00 0.00 O ATOM 465 CB LEU A 928 22.314 1.898 0.632 1.00 0.00 C ATOM 466 CG LEU A 928 22.341 3.015 -0.410 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.492 3.970 -0.126 1.00 0.00 C ATOM 468 CD2 LEU A 928 22.461 2.436 -1.809 1.00 0.00 C ATOM 0 H LEU A 928 22.704 0.464 2.761 1.00 0.00 H new ATOM 0 HA LEU A 928 22.641 3.353 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 928 23.232 1.317 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.488 1.225 0.402 1.00 0.00 H new ATOM 0 HG LEU A 928 21.405 3.570 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 928 23.501 4.762 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 928 23.365 4.408 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 928 24.435 3.425 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 928 22.479 3.246 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 928 23.382 1.858 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 928 21.608 1.787 -2.009 1.00 0.00 H new ATOM 480 N LYS A 929 20.293 3.737 2.786 1.00 0.00 N ATOM 481 CA LYS A 929 18.913 4.013 3.180 1.00 0.00 C ATOM 482 C LYS A 929 18.013 4.280 1.974 1.00 0.00 C ATOM 483 O LYS A 929 18.402 4.973 1.033 1.00 0.00 O ATOM 484 CB LYS A 929 18.878 5.208 4.133 1.00 0.00 C ATOM 485 CG LYS A 929 17.488 5.548 4.642 1.00 0.00 C ATOM 486 CD LYS A 929 17.525 6.694 5.641 1.00 0.00 C ATOM 487 CE LYS A 929 18.337 6.332 6.876 1.00 0.00 C ATOM 488 NZ LYS A 929 18.407 7.461 7.844 1.00 0.00 N ATOM 0 H LYS A 929 20.904 4.554 2.799 1.00 0.00 H new ATOM 0 HA LYS A 929 18.529 3.126 3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 929 19.526 5.000 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 929 19.291 6.079 3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 929 16.847 5.817 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 929 17.046 4.669 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 929 17.955 7.577 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 929 16.508 6.954 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 929 17.891 5.464 7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 929 19.346 6.047 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 18.968 7.175 8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 18.855 8.282 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 17.446 7.717 8.149 1.00 0.00 H new ATOM 502 N TYR A 930 16.800 3.729 2.023 1.00 0.00 N ATOM 503 CA TYR A 930 15.819 3.904 0.952 1.00 0.00 C ATOM 504 C TYR A 930 14.462 4.305 1.529 1.00 0.00 C ATOM 505 O TYR A 930 14.002 3.722 2.511 1.00 0.00 O ATOM 506 CB TYR A 930 15.660 2.615 0.138 1.00 0.00 C ATOM 507 CG TYR A 930 16.828 2.289 -0.768 1.00 0.00 C ATOM 508 CD1 TYR A 930 18.107 2.102 -0.260 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.642 2.154 -2.139 1.00 0.00 C ATOM 510 CE1 TYR A 930 19.167 1.795 -1.091 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.697 1.845 -2.976 1.00 0.00 C ATOM 512 CZ TYR A 930 18.957 1.667 -2.448 1.00 0.00 C ATOM 513 OH TYR A 930 20.009 1.359 -3.279 1.00 0.00 O ATOM 0 H TYR A 930 16.472 3.154 2.799 1.00 0.00 H new ATOM 0 HA TYR A 930 16.183 4.695 0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.509 1.783 0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.758 2.694 -0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 930 18.276 2.198 0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.656 2.293 -2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 930 20.156 1.656 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.535 1.744 -4.039 1.00 0.00 H new ATOM 0 HH TYR A 930 19.690 1.305 -4.204 1.00 0.00 H new ATOM 523 N GLU A 931 13.825 5.300 0.916 1.00 0.00 N ATOM 524 CA GLU A 931 12.520 5.771 1.376 1.00 0.00 C ATOM 525 C GLU A 931 11.379 5.114 0.600 1.00 0.00 C ATOM 526 O GLU A 931 11.384 5.085 -0.630 1.00 0.00 O ATOM 527 CB GLU A 931 12.432 7.295 1.253 1.00 0.00 C ATOM 528 CG GLU A 931 13.350 8.038 2.210 1.00 0.00 C ATOM 529 CD GLU A 931 12.982 7.823 3.667 1.00 0.00 C ATOM 530 OE1 GLU A 931 11.982 7.122 3.933 1.00 0.00 O ATOM 531 OE2 GLU A 931 13.691 8.361 4.544 1.00 0.00 O ATOM 0 H GLU A 931 14.190 5.795 0.102 1.00 0.00 H new ATOM 0 HA GLU A 931 12.417 5.489 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 931 12.677 7.583 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 931 11.403 7.607 1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 931 14.377 7.711 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 931 13.315 9.104 1.985 1.00 0.00 H new ATOM 538 N CYS A 932 10.399 4.592 1.337 1.00 0.00 N ATOM 539 CA CYS A 932 9.237 3.936 0.736 1.00 0.00 C ATOM 540 C CYS A 932 8.487 4.876 -0.203 1.00 0.00 C ATOM 541 O CYS A 932 8.557 6.097 -0.063 1.00 0.00 O ATOM 542 CB CYS A 932 8.274 3.447 1.821 1.00 0.00 C ATOM 543 SG CYS A 932 8.973 2.211 2.963 1.00 0.00 S ATOM 0 H CYS A 932 10.387 4.611 2.357 1.00 0.00 H new ATOM 0 HA CYS A 932 9.609 3.087 0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 932 7.936 4.306 2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.394 3.020 1.340 1.00 0.00 H new ATOM 548 N ARG A 933 7.747 4.294 -1.144 1.00 0.00 N ATOM 549 CA ARG A 933 6.957 5.074 -2.089 1.00 0.00 C ATOM 550 C ARG A 933 5.602 5.429 -1.481 1.00 0.00 C ATOM 551 O ARG A 933 5.091 4.705 -0.628 1.00 0.00 O ATOM 552 CB ARG A 933 6.753 4.311 -3.401 1.00 0.00 C ATOM 553 CG ARG A 933 7.939 4.387 -4.345 1.00 0.00 C ATOM 554 CD ARG A 933 7.611 3.777 -5.700 1.00 0.00 C ATOM 555 NE ARG A 933 8.630 4.085 -6.701 1.00 0.00 N ATOM 556 CZ ARG A 933 8.907 5.317 -7.121 1.00 0.00 C ATOM 557 NH1 ARG A 933 8.235 6.355 -6.639 1.00 0.00 N ATOM 558 NH2 ARG A 933 9.854 5.511 -8.028 1.00 0.00 N ATOM 0 H ARG A 933 7.679 3.284 -1.271 1.00 0.00 H new ATOM 0 HA ARG A 933 7.505 5.991 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 933 6.548 3.265 -3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 933 5.872 4.706 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 933 8.236 5.428 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 933 8.789 3.865 -3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 933 7.519 2.696 -5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 933 6.645 4.149 -6.040 1.00 0.00 H new ATOM 0 HE ARG A 933 9.160 3.311 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 933 7.503 6.210 -5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 933 8.451 7.298 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 933 10.370 4.716 -8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 933 10.066 6.455 -8.350 1.00 0.00 H new ATOM 572 N PRO A 934 5.008 6.558 -1.907 1.00 0.00 N ATOM 573 CA PRO A 934 3.711 7.013 -1.394 1.00 0.00 C ATOM 574 C PRO A 934 2.664 5.903 -1.361 1.00 0.00 C ATOM 575 O PRO A 934 1.960 5.735 -0.365 1.00 0.00 O ATOM 576 CB PRO A 934 3.305 8.095 -2.393 1.00 0.00 C ATOM 577 CG PRO A 934 4.595 8.643 -2.895 1.00 0.00 C ATOM 578 CD PRO A 934 5.558 7.486 -2.915 1.00 0.00 C ATOM 0 HA PRO A 934 3.782 7.359 -0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 934 2.707 7.681 -3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 934 2.704 8.869 -1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 934 4.476 9.069 -3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 934 4.958 9.441 -2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 934 5.608 7.023 -3.901 1.00 0.00 H new ATOM 0 HD3 PRO A 934 6.569 7.802 -2.659 1.00 0.00 H new ATOM 586 N GLU A 935 2.558 5.155 -2.455 1.00 0.00 N ATOM 587 CA GLU A 935 1.587 4.068 -2.549 1.00 0.00 C ATOM 588 C GLU A 935 2.002 2.863 -1.704 1.00 0.00 C ATOM 589 O GLU A 935 1.538 1.746 -1.939 1.00 0.00 O ATOM 590 CB GLU A 935 1.416 3.640 -4.008 1.00 0.00 C ATOM 591 CG GLU A 935 0.948 4.759 -4.926 1.00 0.00 C ATOM 592 CD GLU A 935 -0.429 5.283 -4.563 1.00 0.00 C ATOM 593 OE1 GLU A 935 -0.591 5.811 -3.443 1.00 0.00 O ATOM 594 OE2 GLU A 935 -1.347 5.167 -5.402 1.00 0.00 O ATOM 0 H GLU A 935 3.132 5.281 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 935 0.639 4.440 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 935 2.366 3.253 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 935 0.699 2.821 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 935 1.665 5.579 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.934 4.397 -5.954 1.00 0.00 H new ATOM 601 N TYR A 936 2.871 3.087 -0.722 1.00 0.00 N ATOM 602 CA TYR A 936 3.335 2.008 0.147 1.00 0.00 C ATOM 603 C TYR A 936 3.564 2.500 1.570 1.00 0.00 C ATOM 604 O TYR A 936 4.132 3.571 1.783 1.00 0.00 O ATOM 605 CB TYR A 936 4.629 1.394 -0.391 1.00 0.00 C ATOM 606 CG TYR A 936 4.492 0.788 -1.767 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.579 1.576 -2.906 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.264 -0.571 -1.922 1.00 0.00 C ATOM 609 CE1 TYR A 936 4.445 1.024 -4.164 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.130 -1.131 -3.177 1.00 0.00 C ATOM 611 CZ TYR A 936 4.220 -0.330 -4.295 1.00 0.00 C ATOM 612 OH TYR A 936 4.089 -0.883 -5.548 1.00 0.00 O ATOM 0 H TYR A 936 3.267 4.002 -0.508 1.00 0.00 H new ATOM 0 HA TYR A 936 2.554 1.248 0.161 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.401 2.163 -0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 936 4.970 0.625 0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 936 4.754 2.637 -2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 936 4.190 -1.201 -1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 936 4.516 1.650 -5.041 1.00 0.00 H new ATOM 0 HE2 TYR A 936 3.955 -2.192 -3.282 1.00 0.00 H new ATOM 0 HH TYR A 936 4.408 -1.810 -5.532 1.00 0.00 H new ATOM 622 N TYR A 937 3.133 1.702 2.542 1.00 0.00 N ATOM 623 CA TYR A 937 3.310 2.054 3.947 1.00 0.00 C ATOM 624 C TYR A 937 4.538 1.355 4.520 1.00 0.00 C ATOM 625 O TYR A 937 4.782 0.181 4.240 1.00 0.00 O ATOM 626 CB TYR A 937 2.055 1.712 4.767 1.00 0.00 C ATOM 627 CG TYR A 937 1.721 0.234 4.846 1.00 0.00 C ATOM 628 CD1 TYR A 937 2.466 -0.633 5.637 1.00 0.00 C ATOM 629 CD2 TYR A 937 0.653 -0.292 4.130 1.00 0.00 C ATOM 630 CE1 TYR A 937 2.158 -1.978 5.711 1.00 0.00 C ATOM 631 CE2 TYR A 937 0.339 -1.636 4.198 1.00 0.00 C ATOM 632 CZ TYR A 937 1.093 -2.474 4.989 1.00 0.00 C ATOM 633 OH TYR A 937 0.782 -3.813 5.061 1.00 0.00 O ATOM 0 H TYR A 937 2.661 0.812 2.384 1.00 0.00 H new ATOM 0 HA TYR A 937 3.464 3.131 4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 937 2.186 2.094 5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 937 1.204 2.239 4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 937 3.301 -0.248 6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 937 0.058 0.361 3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 937 2.748 -2.637 6.331 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -0.494 -2.028 3.633 1.00 0.00 H new ATOM 0 HH TYR A 937 0.005 -3.999 4.494 1.00 0.00 H new ATOM 643 N GLY A 938 5.317 2.081 5.315 1.00 0.00 N ATOM 644 CA GLY A 938 6.508 1.500 5.903 1.00 0.00 C ATOM 645 C GLY A 938 7.521 2.533 6.330 1.00 0.00 C ATOM 646 O GLY A 938 7.719 3.545 5.656 1.00 0.00 O ATOM 0 H GLY A 938 5.146 3.056 5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 938 6.224 0.900 6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 938 6.969 0.824 5.183 1.00 0.00 H new ATOM 650 N ARG A 939 8.173 2.268 7.451 1.00 0.00 N ATOM 651 CA ARG A 939 9.186 3.163 7.978 1.00 0.00 C ATOM 652 C ARG A 939 10.457 3.084 7.133 1.00 0.00 C ATOM 653 O ARG A 939 10.681 2.095 6.434 1.00 0.00 O ATOM 654 CB ARG A 939 9.508 2.795 9.423 1.00 0.00 C ATOM 655 CG ARG A 939 10.303 1.507 9.553 1.00 0.00 C ATOM 656 CD ARG A 939 10.613 1.180 11.004 1.00 0.00 C ATOM 657 NE ARG A 939 11.396 -0.046 11.134 1.00 0.00 N ATOM 658 CZ ARG A 939 10.955 -1.249 10.772 1.00 0.00 C ATOM 659 NH1 ARG A 939 9.730 -1.394 10.285 1.00 0.00 N ATOM 660 NH2 ARG A 939 11.740 -2.310 10.902 1.00 0.00 N ATOM 0 H ARG A 939 8.016 1.433 8.016 1.00 0.00 H new ATOM 0 HA ARG A 939 8.800 4.182 7.943 1.00 0.00 H new ATOM 0 HB2 ARG A 939 10.070 3.609 9.881 1.00 0.00 H new ATOM 0 HB3 ARG A 939 8.577 2.697 9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 939 9.741 0.686 9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 939 11.234 1.596 8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 939 11.160 2.009 11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 939 9.681 1.075 11.559 1.00 0.00 H new ATOM 0 HE ARG A 939 12.336 0.023 11.525 1.00 0.00 H new ATOM 0 HH11 ARG A 939 9.121 -0.582 10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 939 9.397 -2.318 10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 939 12.682 -2.204 11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 939 11.402 -3.232 10.625 1.00 0.00 H new ATOM 674 N PRO A 940 11.316 4.115 7.196 1.00 0.00 N ATOM 675 CA PRO A 940 12.572 4.134 6.442 1.00 0.00 C ATOM 676 C PRO A 940 13.446 2.937 6.793 1.00 0.00 C ATOM 677 O PRO A 940 13.401 2.437 7.918 1.00 0.00 O ATOM 678 CB PRO A 940 13.245 5.441 6.878 1.00 0.00 C ATOM 679 CG PRO A 940 12.145 6.280 7.432 1.00 0.00 C ATOM 680 CD PRO A 940 11.145 5.323 8.017 1.00 0.00 C ATOM 0 HA PRO A 940 12.409 4.078 5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 940 14.015 5.257 7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 940 13.731 5.934 6.036 1.00 0.00 H new ATOM 0 HG2 PRO A 940 12.522 6.963 8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 940 11.690 6.891 6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 940 11.345 5.126 9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 940 10.129 5.713 7.953 1.00 0.00 H new ATOM 688 N PHE A 941 14.236 2.472 5.833 1.00 0.00 N ATOM 689 CA PHE A 941 15.105 1.324 6.062 1.00 0.00 C ATOM 690 C PHE A 941 16.461 1.528 5.401 1.00 0.00 C ATOM 691 O PHE A 941 16.791 2.632 4.968 1.00 0.00 O ATOM 692 CB PHE A 941 14.442 0.049 5.532 1.00 0.00 C ATOM 693 CG PHE A 941 14.285 0.015 4.038 1.00 0.00 C ATOM 694 CD1 PHE A 941 13.146 0.525 3.435 1.00 0.00 C ATOM 695 CD2 PHE A 941 15.277 -0.526 3.235 1.00 0.00 C ATOM 696 CE1 PHE A 941 12.999 0.494 2.061 1.00 0.00 C ATOM 697 CE2 PHE A 941 15.135 -0.560 1.861 1.00 0.00 C ATOM 698 CZ PHE A 941 13.995 -0.050 1.273 1.00 0.00 C ATOM 0 H PHE A 941 14.293 2.869 4.895 1.00 0.00 H new ATOM 0 HA PHE A 941 15.263 1.222 7.136 1.00 0.00 H new ATOM 0 HB2 PHE A 941 15.033 -0.812 5.844 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.459 -0.055 5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 941 12.364 0.952 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 941 16.172 -0.926 3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 941 12.106 0.895 1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 941 15.915 -0.985 1.247 1.00 0.00 H new ATOM 0 HZ PHE A 941 13.882 -0.076 0.199 1.00 0.00 H new ATOM 708 N SER A 942 17.244 0.459 5.327 1.00 0.00 N ATOM 709 CA SER A 942 18.567 0.524 4.722 1.00 0.00 C ATOM 710 C SER A 942 19.185 -0.863 4.605 1.00 0.00 C ATOM 711 O SER A 942 19.152 -1.652 5.550 1.00 0.00 O ATOM 712 CB SER A 942 19.482 1.431 5.548 1.00 0.00 C ATOM 713 OG SER A 942 19.625 0.943 6.870 1.00 0.00 O ATOM 0 H SER A 942 16.985 -0.463 5.679 1.00 0.00 H new ATOM 0 HA SER A 942 18.458 0.938 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 942 20.461 1.495 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 942 19.073 2.441 5.572 1.00 0.00 H new ATOM 0 HG SER A 942 19.410 -0.013 6.891 1.00 0.00 H new ATOM 719 N ILE A 943 19.748 -1.153 3.437 1.00 0.00 N ATOM 720 CA ILE A 943 20.374 -2.443 3.190 1.00 0.00 C ATOM 721 C ILE A 943 21.882 -2.383 3.395 1.00 0.00 C ATOM 722 O ILE A 943 22.599 -1.721 2.644 1.00 0.00 O ATOM 723 CB ILE A 943 20.079 -2.940 1.763 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.381 -1.838 0.742 1.00 0.00 C ATOM 725 CG2 ILE A 943 18.635 -3.395 1.651 1.00 0.00 C ATOM 726 CD1 ILE A 943 20.142 -2.256 -0.694 1.00 0.00 C ATOM 0 H ILE A 943 19.783 -0.510 2.646 1.00 0.00 H new ATOM 0 HA ILE A 943 19.948 -3.141 3.910 1.00 0.00 H new ATOM 0 HB ILE A 943 20.724 -3.792 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 943 19.763 -0.969 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.420 -1.527 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 943 18.441 -3.744 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 943 18.454 -4.207 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 943 17.972 -2.561 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 943 20.377 -1.425 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 943 20.780 -3.106 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 943 19.097 -2.538 -0.822 1.00 0.00 H new ATOM 738 N THR A 944 22.357 -3.088 4.413 1.00 0.00 N ATOM 739 CA THR A 944 23.779 -3.133 4.715 1.00 0.00 C ATOM 740 C THR A 944 24.503 -4.087 3.773 1.00 0.00 C ATOM 741 O THR A 944 24.127 -5.250 3.656 1.00 0.00 O ATOM 742 CB THR A 944 24.029 -3.583 6.168 1.00 0.00 C ATOM 743 OG1 THR A 944 23.534 -2.596 7.081 1.00 0.00 O ATOM 744 CG2 THR A 944 25.510 -3.824 6.418 1.00 0.00 C ATOM 0 H THR A 944 21.775 -3.638 5.045 1.00 0.00 H new ATOM 0 HA THR A 944 24.167 -2.123 4.582 1.00 0.00 H new ATOM 0 HB THR A 944 23.498 -4.521 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 944 23.696 -2.891 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 944 25.658 -4.140 7.451 1.00 0.00 H new ATOM 0 HG22 THR A 944 25.871 -4.602 5.745 1.00 0.00 H new ATOM 0 HG23 THR A 944 26.064 -2.903 6.238 1.00 0.00 H new ATOM 752 N CYS A 945 25.553 -3.601 3.118 1.00 0.00 N ATOM 753 CA CYS A 945 26.330 -4.439 2.210 1.00 0.00 C ATOM 754 C CYS A 945 27.166 -5.423 3.003 1.00 0.00 C ATOM 755 O CYS A 945 27.910 -5.043 3.907 1.00 0.00 O ATOM 756 CB CYS A 945 27.212 -3.574 1.309 1.00 0.00 C ATOM 757 SG CYS A 945 28.521 -4.484 0.431 1.00 0.00 S ATOM 0 H CYS A 945 25.884 -2.639 3.197 1.00 0.00 H new ATOM 0 HA CYS A 945 25.647 -5.001 1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 945 26.580 -3.075 0.575 1.00 0.00 H new ATOM 0 HB3 CYS A 945 27.673 -2.794 1.915 1.00 0.00 H new ATOM 762 N LEU A 946 27.001 -6.696 2.688 1.00 0.00 N ATOM 763 CA LEU A 946 27.704 -7.748 3.399 1.00 0.00 C ATOM 764 C LEU A 946 29.063 -8.072 2.814 1.00 0.00 C ATOM 765 O LEU A 946 29.418 -7.660 1.709 1.00 0.00 O ATOM 766 CB LEU A 946 26.858 -9.013 3.465 1.00 0.00 C ATOM 767 CG LEU A 946 25.479 -8.822 4.077 1.00 0.00 C ATOM 768 CD1 LEU A 946 25.579 -8.128 5.426 1.00 0.00 C ATOM 769 CD2 LEU A 946 24.609 -8.048 3.128 1.00 0.00 C ATOM 0 H LEU A 946 26.386 -7.026 1.944 1.00 0.00 H new ATOM 0 HA LEU A 946 27.876 -7.362 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 946 26.742 -9.409 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 946 27.396 -9.764 4.043 1.00 0.00 H new ATOM 0 HG LEU A 946 25.025 -9.798 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 946 24.581 -8.002 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 946 26.183 -8.733 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 946 26.045 -7.151 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 946 23.621 -7.912 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 946 25.058 -7.073 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 946 24.516 -8.596 2.190 1.00 0.00 H new ATOM 781 N ASP A 947 29.799 -8.836 3.597 1.00 0.00 N ATOM 782 CA ASP A 947 31.131 -9.297 3.263 1.00 0.00 C ATOM 783 C ASP A 947 31.191 -9.936 1.879 1.00 0.00 C ATOM 784 O ASP A 947 32.172 -9.773 1.153 1.00 0.00 O ATOM 785 CB ASP A 947 31.544 -10.315 4.307 1.00 0.00 C ATOM 786 CG ASP A 947 32.990 -10.751 4.169 1.00 0.00 C ATOM 787 OD1 ASP A 947 33.882 -9.882 4.263 1.00 0.00 O ATOM 788 OD2 ASP A 947 33.229 -11.959 3.968 1.00 0.00 O ATOM 0 H ASP A 947 29.477 -9.162 4.508 1.00 0.00 H new ATOM 0 HA ASP A 947 31.805 -8.440 3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 947 31.391 -9.892 5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 947 30.898 -11.189 4.230 1.00 0.00 H new ATOM 793 N ASN A 948 30.149 -10.686 1.530 1.00 0.00 N ATOM 794 CA ASN A 948 30.104 -11.374 0.245 1.00 0.00 C ATOM 795 C ASN A 948 29.659 -10.429 -0.864 1.00 0.00 C ATOM 796 O ASN A 948 28.999 -10.838 -1.819 1.00 0.00 O ATOM 797 CB ASN A 948 29.163 -12.579 0.324 1.00 0.00 C ATOM 798 CG ASN A 948 29.198 -13.431 -0.928 1.00 0.00 C ATOM 799 OD1 ASN A 948 28.049 -13.574 -1.581 1.00 0.00 O flip ATOM 800 ND2 ASN A 948 30.245 -13.957 -1.307 1.00 0.00 N flip ATOM 0 H ASN A 948 29.328 -10.832 2.117 1.00 0.00 H new ATOM 0 HA ASN A 948 31.109 -11.724 0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 948 29.435 -13.192 1.183 1.00 0.00 H new ATOM 0 HB3 ASN A 948 28.144 -12.229 0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 948 31.105 -13.821 -0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 948 30.252 -14.528 -2.152 1.00 0.00 H new ATOM 807 N LEU A 949 30.054 -9.168 -0.740 1.00 0.00 N ATOM 808 CA LEU A 949 29.729 -8.156 -1.735 1.00 0.00 C ATOM 809 C LEU A 949 28.251 -8.199 -2.102 1.00 0.00 C ATOM 810 O LEU A 949 27.882 -7.990 -3.259 1.00 0.00 O ATOM 811 CB LEU A 949 30.584 -8.383 -2.977 1.00 0.00 C ATOM 812 CG LEU A 949 32.058 -8.664 -2.683 1.00 0.00 C ATOM 813 CD1 LEU A 949 32.821 -8.931 -3.970 1.00 0.00 C ATOM 814 CD2 LEU A 949 32.677 -7.506 -1.920 1.00 0.00 C ATOM 0 H LEU A 949 30.604 -8.821 0.046 1.00 0.00 H new ATOM 0 HA LEU A 949 29.939 -7.172 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 949 30.172 -9.221 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 949 30.514 -7.504 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 949 32.121 -9.557 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 949 33.868 -9.129 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 949 32.392 -9.796 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 949 32.752 -8.060 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 949 33.726 -7.722 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 949 32.602 -6.596 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 949 32.148 -7.367 -0.977 1.00 0.00 H new ATOM 826 N VAL A 950 27.408 -8.472 -1.114 1.00 0.00 N ATOM 827 CA VAL A 950 25.973 -8.545 -1.341 1.00 0.00 C ATOM 828 C VAL A 950 25.241 -7.417 -0.636 1.00 0.00 C ATOM 829 O VAL A 950 25.830 -6.392 -0.288 1.00 0.00 O ATOM 830 CB VAL A 950 25.391 -9.882 -0.849 1.00 0.00 C ATOM 831 CG1 VAL A 950 25.945 -11.036 -1.654 1.00 0.00 C ATOM 832 CG2 VAL A 950 25.674 -10.080 0.628 1.00 0.00 C ATOM 0 H VAL A 950 27.694 -8.646 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 950 25.828 -8.458 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 950 24.311 -9.853 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 950 25.520 -11.971 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 950 25.685 -10.905 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 950 27.030 -11.065 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 950 25.254 -11.031 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 950 26.751 -10.083 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 950 25.221 -9.269 1.197 1.00 0.00 H new ATOM 842 N TRP A 951 23.952 -7.628 -0.419 1.00 0.00 N ATOM 843 CA TRP A 951 23.114 -6.647 0.248 1.00 0.00 C ATOM 844 C TRP A 951 22.032 -7.339 1.058 1.00 0.00 C ATOM 845 O TRP A 951 21.270 -8.154 0.535 1.00 0.00 O ATOM 846 CB TRP A 951 22.467 -5.703 -0.771 1.00 0.00 C ATOM 847 CG TRP A 951 23.451 -4.842 -1.505 1.00 0.00 C ATOM 848 CD1 TRP A 951 24.160 -5.166 -2.627 1.00 0.00 C ATOM 849 CD2 TRP A 951 23.846 -3.516 -1.150 1.00 0.00 C ATOM 850 NE1 TRP A 951 24.968 -4.116 -2.993 1.00 0.00 N ATOM 851 CE2 TRP A 951 24.793 -3.091 -2.100 1.00 0.00 C ATOM 852 CE3 TRP A 951 23.487 -2.645 -0.122 1.00 0.00 C ATOM 853 CZ2 TRP A 951 25.386 -1.833 -2.047 1.00 0.00 C ATOM 854 CZ3 TRP A 951 24.070 -1.397 -0.068 1.00 0.00 C ATOM 855 CH2 TRP A 951 25.012 -0.999 -1.027 1.00 0.00 C ATOM 0 H TRP A 951 23.461 -8.478 -0.698 1.00 0.00 H new ATOM 0 HA TRP A 951 23.746 -6.063 0.917 1.00 0.00 H new ATOM 0 HB2 TRP A 951 21.904 -6.294 -1.494 1.00 0.00 H new ATOM 0 HB3 TRP A 951 21.751 -5.063 -0.256 1.00 0.00 H new ATOM 0 HD1 TRP A 951 24.095 -6.109 -3.150 1.00 0.00 H new ATOM 0 HE1 TRP A 951 25.595 -4.102 -3.797 1.00 0.00 H new ATOM 0 HE3 TRP A 951 22.763 -2.944 0.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 26.114 -1.526 -2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 23.797 -0.716 0.725 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.452 -0.015 -0.960 1.00 0.00 H new ATOM 866 N SER A 952 21.984 -7.008 2.343 1.00 0.00 N ATOM 867 CA SER A 952 21.010 -7.583 3.264 1.00 0.00 C ATOM 868 C SER A 952 19.651 -7.723 2.595 1.00 0.00 C ATOM 869 O SER A 952 19.242 -6.868 1.810 1.00 0.00 O ATOM 870 CB SER A 952 20.888 -6.716 4.518 1.00 0.00 C ATOM 871 OG SER A 952 20.458 -5.405 4.192 1.00 0.00 O ATOM 0 H SER A 952 22.617 -6.335 2.775 1.00 0.00 H new ATOM 0 HA SER A 952 21.359 -8.575 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 952 20.182 -7.172 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 952 21.851 -6.670 5.027 1.00 0.00 H new ATOM 0 HG SER A 952 19.943 -5.035 4.939 1.00 0.00 H new ATOM 877 N SER A 953 18.963 -8.815 2.898 1.00 0.00 N ATOM 878 CA SER A 953 17.665 -9.079 2.316 1.00 0.00 C ATOM 879 C SER A 953 16.573 -8.276 3.022 1.00 0.00 C ATOM 880 O SER A 953 16.275 -8.508 4.193 1.00 0.00 O ATOM 881 CB SER A 953 17.371 -10.571 2.411 1.00 0.00 C ATOM 882 OG SER A 953 18.390 -11.333 1.792 1.00 0.00 O ATOM 0 H SER A 953 19.288 -9.532 3.547 1.00 0.00 H new ATOM 0 HA SER A 953 17.677 -8.773 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 953 17.281 -10.861 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 953 16.413 -10.787 1.937 1.00 0.00 H new ATOM 0 HG SER A 953 18.178 -12.287 1.869 1.00 0.00 H new ATOM 888 N PRO A 954 15.967 -7.310 2.307 1.00 0.00 N ATOM 889 CA PRO A 954 14.909 -6.453 2.843 1.00 0.00 C ATOM 890 C PRO A 954 13.550 -7.147 2.854 1.00 0.00 C ATOM 891 O PRO A 954 13.228 -7.911 1.944 1.00 0.00 O ATOM 892 CB PRO A 954 14.889 -5.252 1.880 1.00 0.00 C ATOM 893 CG PRO A 954 15.986 -5.495 0.887 1.00 0.00 C ATOM 894 CD PRO A 954 16.267 -6.966 0.916 1.00 0.00 C ATOM 0 HA PRO A 954 15.099 -6.179 3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 954 13.923 -5.169 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 954 15.051 -4.318 2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 954 15.684 -5.177 -0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 954 16.878 -4.924 1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 954 15.637 -7.515 0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 954 17.302 -7.188 0.656 1.00 0.00 H new ATOM 902 N LYS A 955 12.754 -6.876 3.886 1.00 0.00 N ATOM 903 CA LYS A 955 11.430 -7.478 4.002 1.00 0.00 C ATOM 904 C LYS A 955 10.529 -6.666 4.930 1.00 0.00 C ATOM 905 O LYS A 955 10.954 -6.218 5.995 1.00 0.00 O ATOM 906 CB LYS A 955 11.540 -8.918 4.509 1.00 0.00 C ATOM 907 CG LYS A 955 12.139 -9.034 5.903 1.00 0.00 C ATOM 908 CD LYS A 955 12.228 -10.485 6.354 1.00 0.00 C ATOM 909 CE LYS A 955 10.855 -11.138 6.427 1.00 0.00 C ATOM 910 NZ LYS A 955 10.937 -12.560 6.859 1.00 0.00 N ATOM 0 H LYS A 955 13.002 -6.247 4.650 1.00 0.00 H new ATOM 0 HA LYS A 955 10.980 -7.482 3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 955 10.548 -9.369 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 955 12.150 -9.493 3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 955 13.134 -8.588 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 955 11.531 -8.469 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 955 12.860 -11.043 5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 955 12.706 -10.533 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 955 10.226 -10.583 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 955 10.375 -11.083 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 9.981 -12.967 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 11.516 -13.096 6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 11.372 -12.612 7.802 1.00 0.00 H new ATOM 924 N ASP A 956 9.277 -6.491 4.511 1.00 0.00 N ATOM 925 CA ASP A 956 8.291 -5.744 5.289 1.00 0.00 C ATOM 926 C ASP A 956 8.753 -4.313 5.538 1.00 0.00 C ATOM 927 O ASP A 956 8.468 -3.731 6.586 1.00 0.00 O ATOM 928 CB ASP A 956 8.024 -6.442 6.626 1.00 0.00 C ATOM 929 CG ASP A 956 7.624 -7.897 6.464 1.00 0.00 C ATOM 930 OD1 ASP A 956 7.610 -8.387 5.315 1.00 0.00 O ATOM 931 OD2 ASP A 956 7.330 -8.547 7.487 1.00 0.00 O ATOM 0 H ASP A 956 8.920 -6.860 3.630 1.00 0.00 H new ATOM 0 HA ASP A 956 7.368 -5.712 4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 956 8.919 -6.383 7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 956 7.234 -5.910 7.156 1.00 0.00 H new ATOM 936 N VAL A 957 9.466 -3.754 4.572 1.00 0.00 N ATOM 937 CA VAL A 957 9.966 -2.388 4.688 1.00 0.00 C ATOM 938 C VAL A 957 9.025 -1.374 4.049 1.00 0.00 C ATOM 939 O VAL A 957 8.925 -0.236 4.506 1.00 0.00 O ATOM 940 CB VAL A 957 11.370 -2.242 4.073 1.00 0.00 C ATOM 941 CG1 VAL A 957 12.382 -3.067 4.852 1.00 0.00 C ATOM 942 CG2 VAL A 957 11.364 -2.635 2.606 1.00 0.00 C ATOM 0 H VAL A 957 9.712 -4.222 3.700 1.00 0.00 H new ATOM 0 HA VAL A 957 10.023 -2.179 5.756 1.00 0.00 H new ATOM 0 HB VAL A 957 11.663 -1.194 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 957 13.368 -2.952 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 957 12.412 -2.724 5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 957 12.092 -4.117 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 957 12.367 -2.523 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 957 11.046 -3.673 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 957 10.674 -1.991 2.060 1.00 0.00 H new ATOM 952 N CYS A 958 8.347 -1.786 2.984 1.00 0.00 N ATOM 953 CA CYS A 958 7.425 -0.900 2.272 1.00 0.00 C ATOM 954 C CYS A 958 6.280 -1.689 1.636 1.00 0.00 C ATOM 955 O CYS A 958 6.094 -1.659 0.418 1.00 0.00 O ATOM 956 CB CYS A 958 8.169 -0.124 1.179 1.00 0.00 C ATOM 957 SG CYS A 958 9.669 0.750 1.739 1.00 0.00 S ATOM 0 H CYS A 958 8.416 -2.725 2.593 1.00 0.00 H new ATOM 0 HA CYS A 958 7.010 -0.203 3.000 1.00 0.00 H new ATOM 0 HB2 CYS A 958 8.446 -0.819 0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 958 7.485 0.603 0.741 1.00 0.00 H new ATOM 962 N LYS A 959 5.516 -2.394 2.465 1.00 0.00 N ATOM 963 CA LYS A 959 4.389 -3.191 1.985 1.00 0.00 C ATOM 964 C LYS A 959 3.372 -2.337 1.231 1.00 0.00 C ATOM 965 O LYS A 959 3.240 -1.138 1.482 1.00 0.00 O ATOM 966 CB LYS A 959 3.705 -3.904 3.152 1.00 0.00 C ATOM 967 CG LYS A 959 4.558 -4.991 3.786 1.00 0.00 C ATOM 968 CD LYS A 959 4.844 -6.116 2.804 1.00 0.00 C ATOM 969 CE LYS A 959 5.675 -7.215 3.443 1.00 0.00 C ATOM 970 NZ LYS A 959 5.971 -8.318 2.488 1.00 0.00 N ATOM 0 H LYS A 959 5.656 -2.430 3.475 1.00 0.00 H new ATOM 0 HA LYS A 959 4.786 -3.932 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 959 3.444 -3.169 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 959 2.772 -4.345 2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 959 5.498 -4.562 4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 959 4.048 -5.392 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 959 3.904 -6.533 2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 959 5.370 -5.718 1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 959 6.610 -6.794 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 959 5.144 -7.616 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 6.540 -9.047 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 5.080 -8.738 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 6.501 -7.941 1.676 1.00 0.00 H new ATOM 984 N ARG A 960 2.656 -2.972 0.304 1.00 0.00 N ATOM 985 CA ARG A 960 1.643 -2.293 -0.503 1.00 0.00 C ATOM 986 C ARG A 960 0.637 -1.558 0.380 1.00 0.00 C ATOM 987 O ARG A 960 -0.091 -2.177 1.156 1.00 0.00 O ATOM 988 CB ARG A 960 0.915 -3.316 -1.380 1.00 0.00 C ATOM 989 CG ARG A 960 -0.292 -2.756 -2.119 1.00 0.00 C ATOM 990 CD ARG A 960 0.109 -1.787 -3.216 1.00 0.00 C ATOM 991 NE ARG A 960 0.888 -2.440 -4.265 1.00 0.00 N ATOM 992 CZ ARG A 960 1.322 -1.819 -5.358 1.00 0.00 C ATOM 993 NH1 ARG A 960 1.059 -0.532 -5.543 1.00 0.00 N ATOM 994 NH2 ARG A 960 2.018 -2.486 -6.268 1.00 0.00 N ATOM 0 H ARG A 960 2.760 -3.964 0.092 1.00 0.00 H new ATOM 0 HA ARG A 960 2.142 -1.557 -1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 960 1.618 -3.719 -2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 960 0.591 -4.148 -0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 960 -0.864 -3.577 -2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 960 -0.947 -2.250 -1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -0.786 -1.343 -3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 960 0.692 -0.973 -2.785 1.00 0.00 H new ATOM 0 HE ARG A 960 1.112 -3.429 -4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 960 0.522 -0.016 -4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 960 1.393 -0.059 -6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 960 2.221 -3.476 -6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 960 2.351 -2.009 -7.106 1.00 0.00 H new ATOM 1008 N LYS A 961 0.604 -0.234 0.251 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.309 0.593 1.028 1.00 0.00 C ATOM 1010 C LYS A 961 -1.756 0.156 0.825 1.00 0.00 C ATOM 1011 O LYS A 961 -2.129 -0.310 -0.253 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.140 2.063 0.655 1.00 0.00 C ATOM 1013 CG LYS A 961 -0.634 3.016 1.727 1.00 0.00 C ATOM 1014 CD LYS A 961 -0.218 4.446 1.436 1.00 0.00 C ATOM 1015 CE LYS A 961 -0.363 5.318 2.669 1.00 0.00 C ATOM 1016 NZ LYS A 961 0.135 6.700 2.438 1.00 0.00 N ATOM 0 H LYS A 961 1.203 0.289 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.065 0.467 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 961 0.914 2.262 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -0.679 2.259 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 961 -1.720 2.959 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 961 -0.239 2.711 2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 961 0.817 4.465 1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 961 -0.829 4.849 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 961 -1.411 5.356 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 961 0.186 4.869 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 0.992 6.860 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 0.359 6.824 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 -0.597 7.384 2.717 1.00 0.00 H new ATOM 1030 N SER A 962 -2.567 0.308 1.867 1.00 0.00 N ATOM 1031 CA SER A 962 -3.973 -0.075 1.804 1.00 0.00 C ATOM 1032 C SER A 962 -4.838 0.882 2.618 1.00 0.00 C ATOM 1033 O SER A 962 -4.456 1.306 3.709 1.00 0.00 O ATOM 1034 CB SER A 962 -4.156 -1.503 2.319 1.00 0.00 C ATOM 1035 OG SER A 962 -3.711 -1.624 3.658 1.00 0.00 O ATOM 0 H SER A 962 -2.275 0.694 2.765 1.00 0.00 H new ATOM 0 HA SER A 962 -4.289 -0.025 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 962 -5.207 -1.784 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 962 -3.602 -2.195 1.685 1.00 0.00 H new ATOM 0 HG SER A 962 -3.841 -2.546 3.964 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.006 1.219 2.077 1.00 0.00 N ATOM 1042 CA CYS A 963 -6.928 2.125 2.751 1.00 0.00 C ATOM 1043 C CYS A 963 -7.747 1.376 3.799 1.00 0.00 C ATOM 1044 O CYS A 963 -8.922 1.673 4.011 1.00 0.00 O ATOM 1045 CB CYS A 963 -7.867 2.780 1.735 1.00 0.00 C ATOM 1046 SG CYS A 963 -7.023 3.567 0.323 1.00 0.00 S ATOM 0 H CYS A 963 -6.335 0.878 1.174 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.343 2.899 3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.555 2.025 1.356 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -8.469 3.531 2.247 1.00 0.00 H new ATOM 1051 N LYS A 964 -7.103 0.414 4.452 1.00 0.00 N ATOM 1052 CA LYS A 964 -7.733 -0.397 5.487 1.00 0.00 C ATOM 1053 C LYS A 964 -8.990 -1.096 4.971 1.00 0.00 C ATOM 1054 O LYS A 964 -9.826 -0.489 4.304 1.00 0.00 O ATOM 1055 CB LYS A 964 -8.073 0.472 6.690 1.00 0.00 C ATOM 1056 CG LYS A 964 -8.752 -0.288 7.815 1.00 0.00 C ATOM 1057 CD LYS A 964 -9.048 0.614 9.000 1.00 0.00 C ATOM 1058 CE LYS A 964 -10.165 1.603 8.696 1.00 0.00 C ATOM 1059 NZ LYS A 964 -9.758 2.625 7.692 1.00 0.00 N ATOM 0 H LYS A 964 -6.127 0.175 4.278 1.00 0.00 H new ATOM 0 HA LYS A 964 -7.024 -1.170 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -7.158 0.926 7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -8.723 1.286 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -9.681 -0.727 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -8.114 -1.112 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -9.327 0.004 9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -8.145 1.159 9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -11.036 1.062 8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -10.466 2.102 9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -10.095 3.562 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -8.721 2.639 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -10.174 2.389 6.768 1.00 0.00 H new ATOM 1073 N THR A 965 -9.124 -2.381 5.287 1.00 0.00 N ATOM 1074 CA THR A 965 -10.286 -3.145 4.852 1.00 0.00 C ATOM 1075 C THR A 965 -11.565 -2.529 5.411 1.00 0.00 C ATOM 1076 O THR A 965 -11.703 -2.358 6.622 1.00 0.00 O ATOM 1077 CB THR A 965 -10.204 -4.617 5.298 1.00 0.00 C ATOM 1078 OG1 THR A 965 -8.940 -5.176 4.923 1.00 0.00 O ATOM 1079 CG2 THR A 965 -11.327 -5.430 4.670 1.00 0.00 C ATOM 0 H THR A 965 -8.448 -2.910 5.838 1.00 0.00 H new ATOM 0 HA THR A 965 -10.300 -3.113 3.763 1.00 0.00 H new ATOM 0 HB THR A 965 -10.307 -4.652 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 965 -8.897 -6.111 5.212 1.00 0.00 H new ATOM 0 HG21 THR A 965 -11.252 -6.467 4.997 1.00 0.00 H new ATOM 0 HG22 THR A 965 -12.289 -5.021 4.979 1.00 0.00 H new ATOM 0 HG23 THR A 965 -11.245 -5.385 3.584 1.00 0.00 H new ATOM 1087 N PRO A 966 -12.522 -2.182 4.533 1.00 0.00 N ATOM 1088 CA PRO A 966 -13.791 -1.577 4.950 1.00 0.00 C ATOM 1089 C PRO A 966 -14.709 -2.570 5.655 1.00 0.00 C ATOM 1090 O PRO A 966 -14.950 -3.668 5.153 1.00 0.00 O ATOM 1091 CB PRO A 966 -14.414 -1.125 3.628 1.00 0.00 C ATOM 1092 CG PRO A 966 -13.840 -2.050 2.612 1.00 0.00 C ATOM 1093 CD PRO A 966 -12.441 -2.345 3.069 1.00 0.00 C ATOM 0 HA PRO A 966 -13.640 -0.772 5.669 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -15.501 -1.193 3.658 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -14.165 -0.087 3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -14.428 -2.965 2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -13.840 -1.592 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -12.132 -3.353 2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -11.720 -1.658 2.627 1.00 0.00 H new ATOM 1101 N PRO A 967 -15.244 -2.193 6.830 1.00 0.00 N ATOM 1102 CA PRO A 967 -16.150 -3.056 7.595 1.00 0.00 C ATOM 1103 C PRO A 967 -17.430 -3.350 6.823 1.00 0.00 C ATOM 1104 O PRO A 967 -18.026 -2.450 6.232 1.00 0.00 O ATOM 1105 CB PRO A 967 -16.462 -2.237 8.856 1.00 0.00 C ATOM 1106 CG PRO A 967 -15.398 -1.195 8.921 1.00 0.00 C ATOM 1107 CD PRO A 967 -15.021 -0.902 7.499 1.00 0.00 C ATOM 0 HA PRO A 967 -15.705 -4.027 7.812 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -17.452 -1.785 8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -16.452 -2.866 9.746 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -15.761 -0.297 9.422 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -14.537 -1.550 9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -15.639 -0.113 7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -13.984 -0.576 7.414 1.00 0.00 H new ATOM 1115 N ASP A 968 -17.846 -4.612 6.825 1.00 0.00 N ATOM 1116 CA ASP A 968 -19.057 -5.012 6.115 1.00 0.00 C ATOM 1117 C ASP A 968 -20.264 -4.227 6.624 1.00 0.00 C ATOM 1118 O ASP A 968 -20.657 -4.360 7.783 1.00 0.00 O ATOM 1119 CB ASP A 968 -19.297 -6.515 6.286 1.00 0.00 C ATOM 1120 CG ASP A 968 -20.498 -7.009 5.500 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -21.128 -6.193 4.795 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -20.806 -8.216 5.589 1.00 0.00 O ATOM 0 H ASP A 968 -17.366 -5.372 7.307 1.00 0.00 H new ATOM 0 HA ASP A 968 -18.923 -4.792 5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -18.409 -7.059 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -19.443 -6.738 7.343 1.00 0.00 H new ATOM 1127 N PRO A 969 -20.870 -3.391 5.761 1.00 0.00 N ATOM 1128 CA PRO A 969 -22.036 -2.580 6.129 1.00 0.00 C ATOM 1129 C PRO A 969 -23.245 -3.431 6.482 1.00 0.00 C ATOM 1130 O PRO A 969 -23.528 -4.433 5.826 1.00 0.00 O ATOM 1131 CB PRO A 969 -22.321 -1.747 4.871 1.00 0.00 C ATOM 1132 CG PRO A 969 -21.074 -1.825 4.058 1.00 0.00 C ATOM 1133 CD PRO A 969 -20.467 -3.163 4.364 1.00 0.00 C ATOM 0 HA PRO A 969 -21.839 -1.977 7.015 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -23.175 -2.144 4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -22.559 -0.715 5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -21.294 -1.730 2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -20.389 -1.017 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -20.847 -3.941 3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -19.383 -3.151 4.252 1.00 0.00 H new ATOM 1141 N VAL A 970 -23.955 -3.020 7.526 1.00 0.00 N ATOM 1142 CA VAL A 970 -25.133 -3.726 7.980 1.00 0.00 C ATOM 1143 C VAL A 970 -26.128 -3.914 6.839 1.00 0.00 C ATOM 1144 O VAL A 970 -26.392 -2.985 6.080 1.00 0.00 O ATOM 1145 CB VAL A 970 -25.810 -2.954 9.122 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -26.914 -3.784 9.730 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -24.788 -2.552 10.174 1.00 0.00 C ATOM 0 H VAL A 970 -23.727 -2.191 8.075 1.00 0.00 H new ATOM 0 HA VAL A 970 -24.818 -4.706 8.339 1.00 0.00 H new ATOM 0 HB VAL A 970 -26.251 -2.043 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -27.386 -3.226 10.538 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -27.657 -4.016 8.967 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -26.497 -4.711 10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -25.286 -2.006 10.975 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -24.316 -3.445 10.583 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -24.029 -1.916 9.719 1.00 0.00 H new ATOM 1157 N ASN A 971 -26.670 -5.123 6.723 1.00 0.00 N ATOM 1158 CA ASN A 971 -27.631 -5.438 5.668 1.00 0.00 C ATOM 1159 C ASN A 971 -27.036 -5.161 4.290 1.00 0.00 C ATOM 1160 O ASN A 971 -27.706 -4.613 3.415 1.00 0.00 O ATOM 1161 CB ASN A 971 -28.915 -4.623 5.846 1.00 0.00 C ATOM 1162 CG ASN A 971 -29.581 -4.839 7.193 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -29.017 -5.723 8.008 1.00 0.00 O flip ATOM 1164 ND2 ASN A 971 -30.598 -4.218 7.498 1.00 0.00 N flip ATOM 0 H ASN A 971 -26.460 -5.902 7.347 1.00 0.00 H new ATOM 0 HA ASN A 971 -27.869 -6.499 5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -28.684 -3.564 5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -29.617 -4.886 5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -31.001 -3.547 6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -31.038 -4.374 8.405 1.00 0.00 H new ATOM 1171 N GLY A 972 -25.778 -5.545 4.102 1.00 0.00 N ATOM 1172 CA GLY A 972 -25.123 -5.326 2.826 1.00 0.00 C ATOM 1173 C GLY A 972 -23.914 -6.220 2.633 1.00 0.00 C ATOM 1174 O GLY A 972 -23.827 -7.289 3.238 1.00 0.00 O ATOM 0 H GLY A 972 -25.202 -6.003 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -25.835 -5.505 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -24.815 -4.283 2.754 1.00 0.00 H new ATOM 1178 N MET A 973 -22.983 -5.783 1.783 1.00 0.00 N ATOM 1179 CA MET A 973 -21.774 -6.553 1.500 1.00 0.00 C ATOM 1180 C MET A 973 -20.953 -5.895 0.392 1.00 0.00 C ATOM 1181 O MET A 973 -21.486 -5.544 -0.662 1.00 0.00 O ATOM 1182 CB MET A 973 -22.155 -7.980 1.093 1.00 0.00 C ATOM 1183 CG MET A 973 -20.987 -8.829 0.623 1.00 0.00 C ATOM 1184 SD MET A 973 -21.487 -10.517 0.228 1.00 0.00 S ATOM 1185 CE MET A 973 -22.852 -10.211 -0.895 1.00 0.00 C ATOM 0 H MET A 973 -23.045 -4.898 1.279 1.00 0.00 H new ATOM 0 HA MET A 973 -21.164 -6.583 2.403 1.00 0.00 H new ATOM 0 HB2 MET A 973 -22.629 -8.473 1.942 1.00 0.00 H new ATOM 0 HB3 MET A 973 -22.898 -7.932 0.297 1.00 0.00 H new ATOM 0 HG2 MET A 973 -20.537 -8.370 -0.257 1.00 0.00 H new ATOM 0 HG3 MET A 973 -20.221 -8.851 1.398 1.00 0.00 H new ATOM 0 HE1 MET A 973 -22.891 -11.002 -1.644 1.00 0.00 H new ATOM 0 HE2 MET A 973 -23.787 -10.195 -0.335 1.00 0.00 H new ATOM 0 HE3 MET A 973 -22.708 -9.250 -1.389 1.00 0.00 H new ATOM 1195 N VAL A 974 -19.651 -5.733 0.633 1.00 0.00 N ATOM 1196 CA VAL A 974 -18.765 -5.125 -0.355 1.00 0.00 C ATOM 1197 C VAL A 974 -17.954 -6.178 -1.099 1.00 0.00 C ATOM 1198 O VAL A 974 -17.303 -7.024 -0.484 1.00 0.00 O ATOM 1199 CB VAL A 974 -17.786 -4.112 0.282 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -16.847 -4.799 1.264 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -16.983 -3.407 -0.797 1.00 0.00 C ATOM 0 H VAL A 974 -19.191 -6.013 1.499 1.00 0.00 H new ATOM 0 HA VAL A 974 -19.415 -4.598 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 974 -18.374 -3.375 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -16.170 -4.062 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -17.429 -5.267 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -16.268 -5.561 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -16.298 -2.697 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -16.414 -4.142 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -17.660 -2.875 -1.466 1.00 0.00 H new ATOM 1211 N HIS A 975 -17.975 -6.112 -2.424 1.00 0.00 N ATOM 1212 CA HIS A 975 -17.214 -7.047 -3.235 1.00 0.00 C ATOM 1213 C HIS A 975 -15.808 -6.507 -3.447 1.00 0.00 C ATOM 1214 O HIS A 975 -15.625 -5.482 -4.103 1.00 0.00 O ATOM 1215 CB HIS A 975 -17.876 -7.265 -4.597 1.00 0.00 C ATOM 1216 CG HIS A 975 -19.352 -7.490 -4.535 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -19.943 -8.441 -3.728 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -20.362 -6.884 -5.201 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -21.253 -8.409 -3.902 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -21.533 -7.472 -4.790 1.00 0.00 N ATOM 0 H HIS A 975 -18.508 -5.424 -2.956 1.00 0.00 H new ATOM 0 HA HIS A 975 -17.178 -8.001 -2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -17.679 -6.397 -5.227 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -17.410 -8.123 -5.081 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -20.265 -6.086 -5.922 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -21.972 -9.042 -3.403 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -22.467 -7.225 -5.117 1.00 0.00 H new ATOM 1229 N VAL A 976 -14.816 -7.196 -2.902 1.00 0.00 N ATOM 1230 CA VAL A 976 -13.436 -6.769 -3.056 1.00 0.00 C ATOM 1231 C VAL A 976 -13.050 -6.787 -4.530 1.00 0.00 C ATOM 1232 O VAL A 976 -12.285 -5.942 -4.996 1.00 0.00 O ATOM 1233 CB VAL A 976 -12.484 -7.652 -2.225 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -11.032 -7.309 -2.512 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -12.794 -7.487 -0.742 1.00 0.00 C ATOM 0 H VAL A 976 -14.941 -8.047 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 976 -13.344 -5.749 -2.682 1.00 0.00 H new ATOM 0 HB VAL A 976 -12.639 -8.694 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -10.382 -7.947 -1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -10.822 -7.469 -3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -10.848 -6.265 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -12.119 -8.112 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -12.660 -6.444 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -13.824 -7.787 -0.550 1.00 0.00 H new ATOM 1245 N ILE A 977 -13.626 -7.745 -5.250 1.00 0.00 N ATOM 1246 CA ILE A 977 -13.412 -7.907 -6.687 1.00 0.00 C ATOM 1247 C ILE A 977 -12.013 -8.424 -7.009 1.00 0.00 C ATOM 1248 O ILE A 977 -11.856 -9.370 -7.780 1.00 0.00 O ATOM 1249 CB ILE A 977 -13.662 -6.594 -7.442 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -15.035 -6.042 -7.064 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -13.571 -6.824 -8.944 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -15.457 -4.858 -7.894 1.00 0.00 C ATOM 0 H ILE A 977 -14.260 -8.437 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 977 -14.134 -8.653 -7.020 1.00 0.00 H new ATOM 0 HB ILE A 977 -12.899 -5.867 -7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -15.777 -6.833 -7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -15.025 -5.753 -6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -13.750 -5.885 -9.467 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -12.578 -7.196 -9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -14.320 -7.556 -9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -16.441 -4.519 -7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -14.736 -4.050 -7.769 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -15.500 -5.147 -8.944 1.00 0.00 H new ATOM 1264 N THR A 978 -11.003 -7.804 -6.413 1.00 0.00 N ATOM 1265 CA THR A 978 -9.618 -8.203 -6.635 1.00 0.00 C ATOM 1266 C THR A 978 -8.791 -8.007 -5.372 1.00 0.00 C ATOM 1267 O THR A 978 -8.234 -8.960 -4.828 1.00 0.00 O ATOM 1268 CB THR A 978 -8.977 -7.406 -7.786 1.00 0.00 C ATOM 1269 OG1 THR A 978 -8.994 -6.006 -7.483 1.00 0.00 O ATOM 1270 CG2 THR A 978 -9.717 -7.652 -9.092 1.00 0.00 C ATOM 0 H THR A 978 -11.117 -7.020 -5.770 1.00 0.00 H new ATOM 0 HA THR A 978 -9.629 -9.259 -6.904 1.00 0.00 H new ATOM 0 HB THR A 978 -7.946 -7.742 -7.899 1.00 0.00 H new ATOM 0 HG1 THR A 978 -8.583 -5.507 -8.219 1.00 0.00 H new ATOM 0 HG21 THR A 978 -9.246 -7.079 -9.891 1.00 0.00 H new ATOM 0 HG22 THR A 978 -9.680 -8.713 -9.337 1.00 0.00 H new ATOM 0 HG23 THR A 978 -10.756 -7.340 -8.986 1.00 0.00 H new ATOM 1278 N ASP A 979 -8.725 -6.764 -4.901 1.00 0.00 N ATOM 1279 CA ASP A 979 -7.978 -6.443 -3.692 1.00 0.00 C ATOM 1280 C ASP A 979 -8.582 -5.218 -3.021 1.00 0.00 C ATOM 1281 O ASP A 979 -9.717 -4.837 -3.307 1.00 0.00 O ATOM 1282 CB ASP A 979 -6.503 -6.173 -4.014 1.00 0.00 C ATOM 1283 CG ASP A 979 -5.803 -7.356 -4.656 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -6.136 -7.688 -5.814 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -4.921 -7.950 -4.002 1.00 0.00 O ATOM 0 H ASP A 979 -9.181 -5.964 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 979 -8.037 -7.298 -3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -6.435 -5.314 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -5.981 -5.905 -3.095 1.00 0.00 H new ATOM 1290 N ILE A 980 -7.813 -4.592 -2.143 1.00 0.00 N ATOM 1291 CA ILE A 980 -8.270 -3.400 -1.447 1.00 0.00 C ATOM 1292 C ILE A 980 -7.107 -2.457 -1.187 1.00 0.00 C ATOM 1293 O ILE A 980 -7.183 -1.569 -0.337 1.00 0.00 O ATOM 1294 CB ILE A 980 -8.968 -3.747 -0.118 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -8.120 -4.727 0.695 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -10.353 -4.322 -0.380 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -8.762 -5.143 2.000 1.00 0.00 C ATOM 0 H ILE A 980 -6.869 -4.890 -1.896 1.00 0.00 H new ATOM 0 HA ILE A 980 -8.998 -2.907 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 980 -9.081 -2.832 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -7.930 -5.616 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -7.153 -4.271 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -10.833 -4.562 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -10.956 -3.589 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -10.263 -5.227 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -8.105 -5.838 2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -8.928 -4.263 2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -9.717 -5.629 1.797 1.00 0.00 H new ATOM 1309 N GLN A 981 -6.034 -2.648 -1.951 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.853 -1.808 -1.838 1.00 0.00 C ATOM 1311 C GLN A 981 -5.073 -0.510 -2.603 1.00 0.00 C ATOM 1312 O GLN A 981 -6.143 -0.299 -3.173 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.623 -2.528 -2.397 1.00 0.00 C ATOM 1314 CG GLN A 981 -3.419 -3.933 -1.850 1.00 0.00 C ATOM 1315 CD GLN A 981 -3.333 -3.977 -0.337 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -4.301 -3.681 0.362 1.00 0.00 O ATOM 1317 NE2 GLN A 981 -2.167 -4.351 0.177 1.00 0.00 N ATOM 0 H GLN A 981 -5.962 -3.381 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.682 -1.590 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.710 -2.582 -3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.737 -1.933 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -4.242 -4.567 -2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -2.505 -4.351 -2.272 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -1.390 -4.588 -0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -2.048 -4.401 1.189 1.00 0.00 H new ATOM 1326 N VAL A 982 -4.060 0.349 -2.623 1.00 0.00 N ATOM 1327 CA VAL A 982 -4.138 1.617 -3.334 1.00 0.00 C ATOM 1328 C VAL A 982 -4.272 1.426 -4.851 1.00 0.00 C ATOM 1329 O VAL A 982 -3.884 2.302 -5.625 1.00 0.00 O ATOM 1330 CB VAL A 982 -2.895 2.470 -3.046 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -2.844 2.866 -1.578 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -1.639 1.717 -3.449 1.00 0.00 C ATOM 0 H VAL A 982 -3.170 0.187 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 982 -5.033 2.124 -2.974 1.00 0.00 H new ATOM 0 HB VAL A 982 -2.953 3.384 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -1.955 3.470 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -3.734 3.443 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -2.806 1.969 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -0.763 2.332 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -1.574 0.788 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -1.677 1.490 -4.514 1.00 0.00 H new ATOM 1342 N GLY A 983 -4.817 0.287 -5.275 1.00 0.00 N ATOM 1343 CA GLY A 983 -4.980 0.024 -6.694 1.00 0.00 C ATOM 1344 C GLY A 983 -6.066 -0.998 -6.981 1.00 0.00 C ATOM 1345 O GLY A 983 -5.884 -1.895 -7.805 1.00 0.00 O ATOM 0 H GLY A 983 -5.148 -0.457 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -5.219 0.956 -7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -4.035 -0.332 -7.104 1.00 0.00 H new ATOM 1349 N SER A 984 -7.200 -0.855 -6.301 1.00 0.00 N ATOM 1350 CA SER A 984 -8.329 -1.758 -6.480 1.00 0.00 C ATOM 1351 C SER A 984 -9.612 -1.108 -5.971 1.00 0.00 C ATOM 1352 O SER A 984 -9.641 -0.537 -4.878 1.00 0.00 O ATOM 1353 CB SER A 984 -8.077 -3.072 -5.740 1.00 0.00 C ATOM 1354 OG SER A 984 -7.843 -2.841 -4.363 1.00 0.00 O ATOM 0 H SER A 984 -7.360 -0.116 -5.616 1.00 0.00 H new ATOM 0 HA SER A 984 -8.441 -1.969 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 984 -8.936 -3.732 -5.861 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.219 -3.582 -6.178 1.00 0.00 H new ATOM 0 HG SER A 984 -8.381 -2.079 -4.063 1.00 0.00 H new ATOM 1360 N ARG A 985 -10.670 -1.186 -6.774 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.951 -0.595 -6.407 1.00 0.00 C ATOM 1362 C ARG A 985 -12.924 -1.650 -5.888 1.00 0.00 C ATOM 1363 O ARG A 985 -13.122 -2.693 -6.512 1.00 0.00 O ATOM 1364 CB ARG A 985 -12.560 0.138 -7.604 1.00 0.00 C ATOM 1365 CG ARG A 985 -12.834 -0.764 -8.795 1.00 0.00 C ATOM 1366 CD ARG A 985 -13.396 0.018 -9.972 1.00 0.00 C ATOM 1367 NE ARG A 985 -12.463 1.036 -10.449 1.00 0.00 N ATOM 1368 CZ ARG A 985 -12.726 1.861 -11.459 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -13.893 1.795 -12.086 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -11.823 2.754 -11.840 1.00 0.00 N ATOM 0 H ARG A 985 -10.664 -1.652 -7.681 1.00 0.00 H new ATOM 0 HA ARG A 985 -11.770 0.120 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -13.492 0.610 -7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -11.885 0.937 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -11.912 -1.262 -9.095 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -13.538 -1.545 -8.507 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -13.630 -0.669 -10.785 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -14.332 0.493 -9.678 1.00 0.00 H new ATOM 0 HE ARG A 985 -11.560 1.119 -9.982 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -14.591 1.111 -11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -14.093 2.429 -12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -10.925 2.809 -11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -12.026 3.386 -12.615 1.00 0.00 H new ATOM 1384 N ILE A 986 -13.534 -1.359 -4.746 1.00 0.00 N ATOM 1385 CA ILE A 986 -14.501 -2.259 -4.129 1.00 0.00 C ATOM 1386 C ILE A 986 -15.926 -1.817 -4.440 1.00 0.00 C ATOM 1387 O ILE A 986 -16.267 -0.643 -4.289 1.00 0.00 O ATOM 1388 CB ILE A 986 -14.313 -2.309 -2.604 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -14.379 -0.896 -2.020 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -12.994 -2.982 -2.255 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -14.214 -0.845 -0.518 1.00 0.00 C ATOM 0 H ILE A 986 -13.374 -0.498 -4.224 1.00 0.00 H new ATOM 0 HA ILE A 986 -14.331 -3.253 -4.543 1.00 0.00 H new ATOM 0 HB ILE A 986 -15.119 -2.899 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.603 -0.286 -2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -15.336 -0.448 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -12.875 -3.010 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -12.990 -3.999 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -12.171 -2.420 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -14.272 0.190 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -15.006 -1.426 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -13.245 -1.262 -0.244 1.00 0.00 H new ATOM 1403 N THR A 987 -16.760 -2.756 -4.871 1.00 0.00 N ATOM 1404 CA THR A 987 -18.148 -2.446 -5.192 1.00 0.00 C ATOM 1405 C THR A 987 -19.067 -2.744 -4.021 1.00 0.00 C ATOM 1406 O THR A 987 -18.983 -3.799 -3.401 1.00 0.00 O ATOM 1407 CB THR A 987 -18.638 -3.215 -6.428 1.00 0.00 C ATOM 1408 OG1 THR A 987 -18.177 -4.570 -6.386 1.00 0.00 O ATOM 1409 CG2 THR A 987 -18.160 -2.535 -7.697 1.00 0.00 C ATOM 0 H THR A 987 -16.501 -3.733 -5.006 1.00 0.00 H new ATOM 0 HA THR A 987 -18.180 -1.379 -5.411 1.00 0.00 H new ATOM 0 HB THR A 987 -19.728 -3.218 -6.425 1.00 0.00 H new ATOM 0 HG1 THR A 987 -18.498 -5.049 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 987 -18.515 -3.092 -8.564 1.00 0.00 H new ATOM 0 HG22 THR A 987 -18.550 -1.518 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 987 -17.070 -2.506 -7.706 1.00 0.00 H new ATOM 1417 N TYR A 988 -19.946 -1.800 -3.726 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.891 -1.952 -2.627 1.00 0.00 C ATOM 1419 C TYR A 988 -22.255 -2.397 -3.135 1.00 0.00 C ATOM 1420 O TYR A 988 -22.743 -1.897 -4.150 1.00 0.00 O ATOM 1421 CB TYR A 988 -21.028 -0.643 -1.847 1.00 0.00 C ATOM 1422 CG TYR A 988 -19.755 -0.202 -1.160 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.623 0.133 -1.892 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -19.689 -0.115 0.224 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.462 0.541 -1.264 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -18.533 0.293 0.860 1.00 0.00 C ATOM 1427 CZ TYR A 988 -17.422 0.619 0.112 1.00 0.00 C ATOM 1428 OH TYR A 988 -16.269 1.026 0.743 1.00 0.00 O ATOM 0 H TYR A 988 -20.026 -0.918 -4.232 1.00 0.00 H new ATOM 0 HA TYR A 988 -20.502 -2.722 -1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.352 0.143 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -21.812 -0.758 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.651 0.074 -2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -20.557 -0.371 0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.590 0.797 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -18.500 0.356 1.938 1.00 0.00 H new ATOM 0 HH TYR A 988 -16.128 0.485 1.548 1.00 0.00 H new ATOM 1438 N SER A 989 -22.871 -3.332 -2.421 1.00 0.00 N ATOM 1439 CA SER A 989 -24.184 -3.835 -2.801 1.00 0.00 C ATOM 1440 C SER A 989 -24.939 -4.354 -1.583 1.00 0.00 C ATOM 1441 O SER A 989 -24.535 -5.337 -0.961 1.00 0.00 O ATOM 1442 CB SER A 989 -24.046 -4.945 -3.843 1.00 0.00 C ATOM 1443 OG SER A 989 -23.406 -4.471 -5.015 1.00 0.00 O ATOM 0 H SER A 989 -22.483 -3.756 -1.578 1.00 0.00 H new ATOM 0 HA SER A 989 -24.751 -3.011 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 989 -23.475 -5.773 -3.423 1.00 0.00 H new ATOM 0 HB3 SER A 989 -25.032 -5.334 -4.096 1.00 0.00 H new ATOM 0 HG SER A 989 -23.329 -5.201 -5.664 1.00 0.00 H new ATOM 1449 N CYS A 990 -26.042 -3.689 -1.255 1.00 0.00 N ATOM 1450 CA CYS A 990 -26.863 -4.081 -0.119 1.00 0.00 C ATOM 1451 C CYS A 990 -27.686 -5.319 -0.448 1.00 0.00 C ATOM 1452 O CYS A 990 -28.048 -5.546 -1.603 1.00 0.00 O ATOM 1453 CB CYS A 990 -27.791 -2.937 0.294 1.00 0.00 C ATOM 1454 SG CYS A 990 -26.926 -1.426 0.829 1.00 0.00 S ATOM 0 H CYS A 990 -26.387 -2.874 -1.762 1.00 0.00 H new ATOM 0 HA CYS A 990 -26.197 -4.314 0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -28.441 -2.691 -0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -28.433 -3.280 1.105 1.00 0.00 H new ATOM 1459 N THR A 991 -27.988 -6.110 0.573 1.00 0.00 N ATOM 1460 CA THR A 991 -28.773 -7.313 0.399 1.00 0.00 C ATOM 1461 C THR A 991 -30.183 -6.970 -0.075 1.00 0.00 C ATOM 1462 O THR A 991 -30.746 -5.951 0.325 1.00 0.00 O ATOM 1463 CB THR A 991 -28.836 -8.102 1.713 1.00 0.00 C ATOM 1464 OG1 THR A 991 -27.548 -8.643 2.024 1.00 0.00 O ATOM 1465 CG2 THR A 991 -29.858 -9.215 1.634 1.00 0.00 C ATOM 0 H THR A 991 -27.696 -5.934 1.534 1.00 0.00 H new ATOM 0 HA THR A 991 -28.292 -7.930 -0.360 1.00 0.00 H new ATOM 0 HB THR A 991 -29.140 -7.416 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 991 -27.598 -9.143 2.865 1.00 0.00 H new ATOM 0 HG21 THR A 991 -29.880 -9.757 2.580 1.00 0.00 H new ATOM 0 HG22 THR A 991 -30.843 -8.792 1.435 1.00 0.00 H new ATOM 0 HG23 THR A 991 -29.589 -9.900 0.830 1.00 0.00 H new ATOM 1473 N THR A 992 -30.734 -7.817 -0.944 1.00 0.00 N ATOM 1474 CA THR A 992 -32.071 -7.605 -1.498 1.00 0.00 C ATOM 1475 C THR A 992 -33.033 -7.031 -0.462 1.00 0.00 C ATOM 1476 O THR A 992 -33.026 -7.433 0.702 1.00 0.00 O ATOM 1477 CB THR A 992 -32.661 -8.914 -2.056 1.00 0.00 C ATOM 1478 OG1 THR A 992 -33.986 -8.682 -2.550 1.00 0.00 O ATOM 1479 CG2 THR A 992 -32.694 -9.996 -0.987 1.00 0.00 C ATOM 0 H THR A 992 -30.272 -8.661 -1.281 1.00 0.00 H new ATOM 0 HA THR A 992 -31.955 -6.885 -2.308 1.00 0.00 H new ATOM 0 HB THR A 992 -32.023 -9.254 -2.872 1.00 0.00 H new ATOM 0 HG1 THR A 992 -34.354 -9.518 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 992 -33.115 -10.910 -1.407 1.00 0.00 H new ATOM 0 HG22 THR A 992 -31.681 -10.191 -0.636 1.00 0.00 H new ATOM 0 HG23 THR A 992 -33.310 -9.663 -0.152 1.00 0.00 H new ATOM 1487 N GLY A 993 -33.857 -6.081 -0.898 1.00 0.00 N ATOM 1488 CA GLY A 993 -34.814 -5.455 -0.005 1.00 0.00 C ATOM 1489 C GLY A 993 -34.323 -4.123 0.531 1.00 0.00 C ATOM 1490 O GLY A 993 -35.093 -3.169 0.635 1.00 0.00 O ATOM 0 H GLY A 993 -33.878 -5.734 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -35.756 -5.306 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -35.020 -6.125 0.830 1.00 0.00 H new ATOM 1494 N HIS A 994 -33.041 -4.061 0.878 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.449 -2.843 1.412 1.00 0.00 C ATOM 1496 C HIS A 994 -31.688 -2.082 0.328 1.00 0.00 C ATOM 1497 O HIS A 994 -30.975 -2.679 -0.479 1.00 0.00 O ATOM 1498 CB HIS A 994 -31.501 -3.188 2.565 1.00 0.00 C ATOM 1499 CG HIS A 994 -32.120 -4.058 3.616 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -32.235 -3.888 4.955 1.00 0.00 N flip ATOM 1501 CD2 HIS A 994 -32.701 -5.277 3.336 1.00 0.00 C flip ATOM 1502 CE1 HIS A 994 -32.878 -4.996 5.452 1.00 0.00 C flip ATOM 1503 NE2 HIS A 994 -33.149 -5.818 4.455 1.00 0.00 N flip ATOM 0 H HIS A 994 -32.392 -4.844 0.798 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.253 -2.205 1.779 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -30.622 -3.690 2.162 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.156 -2.264 3.028 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -32.778 -5.721 2.354 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -33.122 -5.167 6.490 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -33.623 -6.717 4.535 1.00 0.00 H new ATOM 1512 N ARG A 995 -31.845 -0.761 0.319 1.00 0.00 N ATOM 1513 CA ARG A 995 -31.175 0.089 -0.659 1.00 0.00 C ATOM 1514 C ARG A 995 -29.899 0.693 -0.079 1.00 0.00 C ATOM 1515 O ARG A 995 -29.823 0.975 1.119 1.00 0.00 O ATOM 1516 CB ARG A 995 -32.110 1.208 -1.123 1.00 0.00 C ATOM 1517 CG ARG A 995 -32.605 2.096 0.007 1.00 0.00 C ATOM 1518 CD ARG A 995 -33.460 3.240 -0.514 1.00 0.00 C ATOM 1519 NE ARG A 995 -34.621 2.765 -1.261 1.00 0.00 N ATOM 1520 CZ ARG A 995 -35.526 3.571 -1.807 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -35.399 4.887 -1.694 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -36.557 3.064 -2.468 1.00 0.00 N ATOM 0 H ARG A 995 -32.433 -0.255 0.981 1.00 0.00 H new ATOM 0 HA ARG A 995 -30.907 -0.533 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -31.590 1.824 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -32.968 0.766 -1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -33.184 1.500 0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -31.753 2.498 0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -33.795 3.852 0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -32.855 3.881 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 995 -34.745 1.758 -1.370 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -34.606 5.281 -1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -36.094 5.504 -2.114 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -36.657 2.053 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -37.250 3.685 -2.886 1.00 0.00 H new ATOM 1536 N LEU A 996 -28.901 0.889 -0.939 1.00 0.00 N ATOM 1537 CA LEU A 996 -27.627 1.465 -0.524 1.00 0.00 C ATOM 1538 C LEU A 996 -27.795 2.935 -0.161 1.00 0.00 C ATOM 1539 O LEU A 996 -28.365 3.711 -0.927 1.00 0.00 O ATOM 1540 CB LEU A 996 -26.587 1.307 -1.642 1.00 0.00 C ATOM 1541 CG LEU A 996 -25.190 1.847 -1.333 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -24.131 1.029 -2.055 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -25.094 3.310 -1.720 1.00 0.00 C ATOM 0 H LEU A 996 -28.952 0.656 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.277 0.932 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -26.501 0.248 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -26.961 1.810 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 996 -25.013 1.762 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -23.143 1.427 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -24.189 -0.010 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -24.301 1.082 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -24.094 3.681 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -25.289 3.418 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -25.830 3.884 -1.157 1.00 0.00 H new ATOM 1555 N ILE A 997 -27.298 3.312 1.012 1.00 0.00 N ATOM 1556 CA ILE A 997 -27.397 4.691 1.471 1.00 0.00 C ATOM 1557 C ILE A 997 -26.076 5.423 1.287 1.00 0.00 C ATOM 1558 O ILE A 997 -25.297 5.565 2.231 1.00 0.00 O ATOM 1559 CB ILE A 997 -27.808 4.774 2.950 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -29.028 3.911 3.221 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -28.092 6.210 3.329 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -30.200 4.250 2.344 1.00 0.00 C ATOM 0 H ILE A 997 -26.824 2.683 1.660 1.00 0.00 H new ATOM 0 HA ILE A 997 -28.168 5.166 0.864 1.00 0.00 H new ATOM 0 HB ILE A 997 -26.983 4.401 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -28.764 2.864 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -29.320 4.023 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -28.382 6.259 4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -27.197 6.812 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -28.902 6.596 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -31.038 3.597 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -30.489 5.288 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -29.925 4.111 1.299 1.00 0.00 H new ATOM 1574 N GLY A 998 -25.828 5.880 0.068 1.00 0.00 N ATOM 1575 CA GLY A 998 -24.597 6.589 -0.217 1.00 0.00 C ATOM 1576 C GLY A 998 -24.198 6.504 -1.675 1.00 0.00 C ATOM 1577 O GLY A 998 -25.007 6.755 -2.568 1.00 0.00 O ATOM 0 H GLY A 998 -26.456 5.773 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -24.712 7.636 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -23.796 6.180 0.399 1.00 0.00 H new ATOM 1581 N HIS A 999 -22.937 6.159 -1.911 1.00 0.00 N ATOM 1582 CA HIS A 999 -22.407 6.048 -3.262 1.00 0.00 C ATOM 1583 C HIS A 999 -22.769 4.705 -3.896 1.00 0.00 C ATOM 1584 O HIS A 999 -23.945 4.413 -4.113 1.00 0.00 O ATOM 1585 CB HIS A 999 -20.893 6.243 -3.241 1.00 0.00 C ATOM 1586 CG HIS A 999 -20.474 7.461 -2.483 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -20.353 7.492 -1.109 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -20.178 8.704 -2.914 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -19.996 8.707 -0.731 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -19.882 9.460 -1.808 1.00 0.00 N ATOM 0 H HIS A 999 -22.260 5.950 -1.177 1.00 0.00 H new ATOM 0 HA HIS A 999 -22.860 6.829 -3.873 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -20.425 5.365 -2.796 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -20.527 6.315 -4.265 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -20.175 9.042 -3.940 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -19.827 9.028 0.286 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -19.617 10.445 -1.817 1.00 0.00 H new ATOM 1599 N SER A1000 -21.753 3.896 -4.202 1.00 0.00 N ATOM 1600 CA SER A1000 -21.969 2.591 -4.819 1.00 0.00 C ATOM 1601 C SER A1000 -20.645 1.861 -5.030 1.00 0.00 C ATOM 1602 O SER A1000 -20.596 0.633 -5.006 1.00 0.00 O ATOM 1603 CB SER A1000 -22.700 2.746 -6.153 1.00 0.00 C ATOM 1604 OG SER A1000 -22.899 1.488 -6.775 1.00 0.00 O ATOM 0 H SER A1000 -20.773 4.124 -4.032 1.00 0.00 H new ATOM 0 HA SER A1000 -22.586 1.997 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A1000 -23.663 3.231 -5.990 1.00 0.00 H new ATOM 0 HB3 SER A1000 -22.125 3.395 -6.813 1.00 0.00 H new ATOM 0 HG SER A1000 -23.370 1.614 -7.625 1.00 0.00 H new ATOM 1610 N SER A1001 -19.577 2.624 -5.241 1.00 0.00 N ATOM 1611 CA SER A1001 -18.252 2.048 -5.462 1.00 0.00 C ATOM 1612 C SER A1001 -17.157 3.042 -5.085 1.00 0.00 C ATOM 1613 O SER A1001 -17.341 4.254 -5.204 1.00 0.00 O ATOM 1614 CB SER A1001 -18.092 1.626 -6.924 1.00 0.00 C ATOM 1615 OG SER A1001 -19.061 0.657 -7.286 1.00 0.00 O ATOM 0 H SER A1001 -19.602 3.643 -5.264 1.00 0.00 H new ATOM 0 HA SER A1001 -18.155 1.169 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A1001 -18.188 2.499 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A1001 -17.092 1.221 -7.081 1.00 0.00 H new ATOM 0 HG SER A1001 -19.043 0.523 -8.257 1.00 0.00 H new ATOM 1621 N ALA A1002 -16.020 2.524 -4.624 1.00 0.00 N ATOM 1622 CA ALA A1002 -14.903 3.376 -4.226 1.00 0.00 C ATOM 1623 C ALA A1002 -13.567 2.652 -4.362 1.00 0.00 C ATOM 1624 O ALA A1002 -13.418 1.511 -3.924 1.00 0.00 O ATOM 1625 CB ALA A1002 -15.094 3.857 -2.795 1.00 0.00 C ATOM 0 H ALA A1002 -15.849 1.524 -4.518 1.00 0.00 H new ATOM 0 HA ALA A1002 -14.886 4.235 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -14.255 4.491 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -16.021 4.427 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -15.144 2.998 -2.126 1.00 0.00 H new ATOM 1631 N GLU A1003 -12.597 3.332 -4.968 1.00 0.00 N ATOM 1632 CA GLU A1003 -11.264 2.771 -5.163 1.00 0.00 C ATOM 1633 C GLU A1003 -10.294 3.302 -4.115 1.00 0.00 C ATOM 1634 O GLU A1003 -10.283 4.497 -3.823 1.00 0.00 O ATOM 1635 CB GLU A1003 -10.742 3.125 -6.557 1.00 0.00 C ATOM 1636 CG GLU A1003 -9.397 2.496 -6.882 1.00 0.00 C ATOM 1637 CD GLU A1003 -8.905 2.854 -8.271 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -9.608 2.531 -9.251 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -7.816 3.458 -8.378 1.00 0.00 O ATOM 0 H GLU A1003 -12.711 4.277 -5.334 1.00 0.00 H new ATOM 0 HA GLU A1003 -11.336 1.688 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -11.472 2.806 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -10.656 4.209 -6.639 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -8.661 2.820 -6.146 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -9.477 1.412 -6.797 1.00 0.00 H new ATOM 1646 N CYS A1004 -9.464 2.422 -3.564 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.483 2.840 -2.571 1.00 0.00 C ATOM 1648 C CYS A1004 -7.390 3.654 -3.245 1.00 0.00 C ATOM 1649 O CYS A1004 -6.767 3.196 -4.204 1.00 0.00 O ATOM 1650 CB CYS A1004 -7.884 1.625 -1.862 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.431 1.999 -0.823 1.00 0.00 S ATOM 0 H CYS A1004 -9.451 1.426 -3.785 1.00 0.00 H new ATOM 0 HA CYS A1004 -8.978 3.458 -1.822 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.653 1.168 -1.239 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -7.599 0.886 -2.611 1.00 0.00 H new ATOM 1656 N ILE A1005 -7.170 4.869 -2.759 1.00 0.00 N ATOM 1657 CA ILE A1005 -6.162 5.740 -3.345 1.00 0.00 C ATOM 1658 C ILE A1005 -5.292 6.402 -2.280 1.00 0.00 C ATOM 1659 O ILE A1005 -5.063 5.837 -1.208 1.00 0.00 O ATOM 1660 CB ILE A1005 -6.821 6.828 -4.217 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -7.785 7.670 -3.376 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -7.546 6.194 -5.396 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -8.465 8.775 -4.155 1.00 0.00 C ATOM 0 H ILE A1005 -7.672 5.270 -1.967 1.00 0.00 H new ATOM 0 HA ILE A1005 -5.523 5.112 -3.966 1.00 0.00 H new ATOM 0 HB ILE A1005 -6.043 7.484 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -8.546 7.017 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -7.237 8.109 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -8.006 6.974 -6.002 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -6.834 5.635 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -8.318 5.518 -5.028 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -9.132 9.328 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -7.712 9.451 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -9.041 8.342 -4.973 1.00 0.00 H new ATOM 1675 N LEU A1006 -4.806 7.601 -2.586 1.00 0.00 N ATOM 1676 CA LEU A1006 -3.947 8.338 -1.666 1.00 0.00 C ATOM 1677 C LEU A1006 -4.097 9.844 -1.856 1.00 0.00 C ATOM 1678 O LEU A1006 -4.191 10.333 -2.982 1.00 0.00 O ATOM 1679 CB LEU A1006 -2.486 7.935 -1.885 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.463 8.697 -1.038 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -1.685 8.427 0.439 1.00 0.00 C ATOM 1682 CD2 LEU A1006 -0.048 8.313 -1.442 1.00 0.00 C ATOM 0 H LEU A1006 -4.993 8.083 -3.465 1.00 0.00 H new ATOM 0 HA LEU A1006 -4.249 8.090 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.385 6.870 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -2.241 8.078 -2.937 1.00 0.00 H new ATOM 0 HG LEU A1006 -1.596 9.764 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -0.948 8.977 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.687 8.750 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -1.579 7.360 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A1006 0.667 8.863 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A1006 0.095 7.243 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A1006 0.109 8.557 -2.493 1.00 0.00 H new ATOM 1694 N SER A1007 -4.114 10.572 -0.743 1.00 0.00 N ATOM 1695 CA SER A1007 -4.249 12.023 -0.778 1.00 0.00 C ATOM 1696 C SER A1007 -2.879 12.686 -0.889 1.00 0.00 C ATOM 1697 O SER A1007 -2.646 13.516 -1.768 1.00 0.00 O ATOM 1698 CB SER A1007 -4.963 12.514 0.483 1.00 0.00 C ATOM 1699 OG SER A1007 -4.195 12.243 1.643 1.00 0.00 O ATOM 0 H SER A1007 -4.036 10.179 0.195 1.00 0.00 H new ATOM 0 HA SER A1007 -4.840 12.294 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A1007 -5.146 13.586 0.407 1.00 0.00 H new ATOM 0 HB3 SER A1007 -5.936 12.029 0.566 1.00 0.00 H new ATOM 0 HG SER A1007 -4.217 11.282 1.833 1.00 0.00 H new ATOM 1705 N GLY A1008 -1.978 12.306 0.011 1.00 0.00 N ATOM 1706 CA GLY A1008 -0.635 12.857 0.014 1.00 0.00 C ATOM 1707 C GLY A1008 0.030 12.701 1.366 1.00 0.00 C ATOM 1708 O GLY A1008 0.848 13.529 1.766 1.00 0.00 O ATOM 0 H GLY A1008 -2.156 11.620 0.745 1.00 0.00 H new ATOM 0 HA2 GLY A1008 -0.035 12.358 -0.747 1.00 0.00 H new ATOM 0 HA3 GLY A1008 -0.674 13.913 -0.253 1.00 0.00 H new ATOM 1712 N ASN A1009 -0.336 11.631 2.067 1.00 0.00 N ATOM 1713 CA ASN A1009 0.203 11.341 3.391 1.00 0.00 C ATOM 1714 C ASN A1009 -0.476 10.112 3.967 1.00 0.00 C ATOM 1715 O ASN A1009 0.128 9.334 4.705 1.00 0.00 O ATOM 1716 CB ASN A1009 -0.032 12.519 4.338 1.00 0.00 C ATOM 1717 CG ASN A1009 0.656 12.338 5.677 1.00 0.00 C ATOM 1718 OD1 ASN A1009 0.367 11.397 6.416 1.00 0.00 O ATOM 1719 ND2 ASN A1009 1.576 13.241 5.997 1.00 0.00 N ATOM 0 H ASN A1009 -1.012 10.944 1.734 1.00 0.00 H new ATOM 0 HA ASN A1009 1.274 11.165 3.291 1.00 0.00 H new ATOM 0 HB2 ASN A1009 0.329 13.435 3.869 1.00 0.00 H new ATOM 0 HB3 ASN A1009 -1.103 12.644 4.498 1.00 0.00 H new ATOM 0 HD21 ASN A1009 2.073 13.170 6.885 1.00 0.00 H new ATOM 0 HD22 ASN A1009 1.785 14.006 5.355 1.00 0.00 H new ATOM 1726 N THR A1010 -1.751 9.969 3.637 1.00 0.00 N ATOM 1727 CA THR A1010 -2.553 8.865 4.128 1.00 0.00 C ATOM 1728 C THR A1010 -3.462 8.312 3.035 1.00 0.00 C ATOM 1729 O THR A1010 -4.106 9.068 2.307 1.00 0.00 O ATOM 1730 CB THR A1010 -3.411 9.325 5.317 1.00 0.00 C ATOM 1731 OG1 THR A1010 -2.570 9.704 6.413 1.00 0.00 O ATOM 1732 CG2 THR A1010 -4.363 8.233 5.756 1.00 0.00 C ATOM 0 H THR A1010 -2.254 10.612 3.025 1.00 0.00 H new ATOM 0 HA THR A1010 -1.873 8.075 4.446 1.00 0.00 H new ATOM 0 HB THR A1010 -3.999 10.185 4.997 1.00 0.00 H new ATOM 0 HG1 THR A1010 -3.125 9.997 7.165 1.00 0.00 H new ATOM 0 HG21 THR A1010 -4.958 8.586 6.599 1.00 0.00 H new ATOM 0 HG22 THR A1010 -5.024 7.972 4.929 1.00 0.00 H new ATOM 0 HG23 THR A1010 -3.794 7.353 6.057 1.00 0.00 H new ATOM 1740 N ALA A1011 -3.509 6.988 2.928 1.00 0.00 N ATOM 1741 CA ALA A1011 -4.338 6.328 1.926 1.00 0.00 C ATOM 1742 C ALA A1011 -5.789 6.262 2.381 1.00 0.00 C ATOM 1743 O ALA A1011 -6.072 6.024 3.555 1.00 0.00 O ATOM 1744 CB ALA A1011 -3.807 4.932 1.639 1.00 0.00 C ATOM 0 H ALA A1011 -2.982 6.350 3.524 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.297 6.914 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -4.435 4.451 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -2.785 5.001 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -3.820 4.342 2.556 1.00 0.00 H new ATOM 1750 N HIS A1012 -6.708 6.479 1.445 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.133 6.447 1.759 1.00 0.00 C ATOM 1752 C HIS A1012 -8.967 6.192 0.508 1.00 0.00 C ATOM 1753 O HIS A1012 -8.611 6.627 -0.587 1.00 0.00 O ATOM 1754 CB HIS A1012 -8.563 7.761 2.418 1.00 0.00 C ATOM 1755 CG HIS A1012 -8.355 8.966 1.555 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -8.983 9.141 0.339 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -7.587 10.066 1.739 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -8.607 10.293 -0.188 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -7.762 10.873 0.643 1.00 0.00 N ATOM 0 H HIS A1012 -6.493 6.678 0.468 1.00 0.00 H new ATOM 0 HA HIS A1012 -8.304 5.626 2.456 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -9.618 7.695 2.685 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -8.007 7.890 3.346 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -9.636 8.483 -0.087 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -6.954 10.270 2.590 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -8.935 10.692 -1.137 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.076 5.481 0.681 1.00 0.00 N ATOM 1769 CA TRP A1013 -10.960 5.166 -0.434 1.00 0.00 C ATOM 1770 C TRP A1013 -11.575 6.433 -1.016 1.00 0.00 C ATOM 1771 O TRP A1013 -11.830 7.400 -0.298 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.060 4.198 0.007 1.00 0.00 C ATOM 1773 CG TRP A1013 -11.528 2.904 0.543 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -11.141 2.643 1.827 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.298 1.701 -0.197 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -10.700 1.346 1.932 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -10.785 0.748 0.703 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.482 1.335 -1.533 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -10.453 -0.545 0.309 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -11.150 0.052 -1.924 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.642 -0.875 -1.005 1.00 0.00 C ATOM 0 H TRP A1013 -10.383 5.113 1.581 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.364 4.686 -1.210 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -12.671 4.677 0.772 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -12.714 3.991 -0.840 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -11.177 3.352 2.641 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -10.364 0.901 2.786 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.877 2.042 -2.247 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -10.060 -1.262 1.015 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -11.284 -0.241 -2.955 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.394 -1.871 -1.341 1.00 0.00 H new ATOM 1792 N SER A1014 -11.794 6.421 -2.327 1.00 0.00 N ATOM 1793 CA SER A1014 -12.365 7.566 -3.031 1.00 0.00 C ATOM 1794 C SER A1014 -13.630 8.077 -2.346 1.00 0.00 C ATOM 1795 O SER A1014 -13.900 9.278 -2.350 1.00 0.00 O ATOM 1796 CB SER A1014 -12.674 7.191 -4.480 1.00 0.00 C ATOM 1797 OG SER A1014 -13.220 8.292 -5.187 1.00 0.00 O ATOM 0 H SER A1014 -11.583 5.624 -2.928 1.00 0.00 H new ATOM 0 HA SER A1014 -11.627 8.368 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A1014 -11.763 6.854 -4.974 1.00 0.00 H new ATOM 0 HB3 SER A1014 -13.376 6.357 -4.501 1.00 0.00 H new ATOM 0 HG SER A1014 -13.407 8.027 -6.112 1.00 0.00 H new ATOM 1803 N THR A1015 -14.407 7.166 -1.766 1.00 0.00 N ATOM 1804 CA THR A1015 -15.645 7.548 -1.093 1.00 0.00 C ATOM 1805 C THR A1015 -15.912 6.685 0.135 1.00 0.00 C ATOM 1806 O THR A1015 -15.701 5.472 0.117 1.00 0.00 O ATOM 1807 CB THR A1015 -16.859 7.454 -2.038 1.00 0.00 C ATOM 1808 OG1 THR A1015 -16.991 6.118 -2.538 1.00 0.00 O ATOM 1809 CG2 THR A1015 -16.719 8.424 -3.201 1.00 0.00 C ATOM 0 H THR A1015 -14.204 6.167 -1.748 1.00 0.00 H new ATOM 0 HA THR A1015 -15.511 8.584 -0.780 1.00 0.00 H new ATOM 0 HB THR A1015 -17.751 7.719 -1.471 1.00 0.00 H new ATOM 0 HG1 THR A1015 -16.768 6.102 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A1015 -17.588 8.338 -3.853 1.00 0.00 H new ATOM 0 HG22 THR A1015 -16.651 9.443 -2.819 1.00 0.00 H new ATOM 0 HG23 THR A1015 -15.817 8.187 -3.766 1.00 0.00 H new ATOM 1817 N LYS A1016 -16.384 7.328 1.200 1.00 0.00 N ATOM 1818 CA LYS A1016 -16.692 6.640 2.449 1.00 0.00 C ATOM 1819 C LYS A1016 -17.810 5.619 2.232 1.00 0.00 C ATOM 1820 O LYS A1016 -18.799 5.908 1.557 1.00 0.00 O ATOM 1821 CB LYS A1016 -17.089 7.671 3.515 1.00 0.00 C ATOM 1822 CG LYS A1016 -17.169 7.121 4.934 1.00 0.00 C ATOM 1823 CD LYS A1016 -18.423 6.293 5.162 1.00 0.00 C ATOM 1824 CE LYS A1016 -19.681 7.129 4.999 1.00 0.00 C ATOM 1825 NZ LYS A1016 -19.741 8.242 5.986 1.00 0.00 N ATOM 0 H LYS A1016 -16.562 8.332 1.221 1.00 0.00 H new ATOM 0 HA LYS A1016 -15.810 6.101 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -16.368 8.488 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -18.058 8.094 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -16.290 6.508 5.134 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -17.148 7.948 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -18.444 5.461 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -18.399 5.862 6.163 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -19.717 7.537 3.989 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -20.558 6.492 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -20.703 8.638 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -19.496 7.882 6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -19.066 8.985 5.713 1.00 0.00 H new ATOM 1839 N PRO A1017 -17.664 4.405 2.796 1.00 0.00 N ATOM 1840 CA PRO A1017 -18.663 3.335 2.653 1.00 0.00 C ATOM 1841 C PRO A1017 -20.066 3.775 3.070 1.00 0.00 C ATOM 1842 O PRO A1017 -20.275 4.242 4.189 1.00 0.00 O ATOM 1843 CB PRO A1017 -18.153 2.228 3.590 1.00 0.00 C ATOM 1844 CG PRO A1017 -17.104 2.868 4.437 1.00 0.00 C ATOM 1845 CD PRO A1017 -16.518 3.970 3.606 1.00 0.00 C ATOM 0 HA PRO A1017 -18.762 3.022 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -18.962 1.830 4.203 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -17.742 1.393 3.022 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -17.533 3.260 5.359 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -16.339 2.146 4.723 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -16.127 4.779 4.223 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -15.694 3.616 2.986 1.00 0.00 H new ATOM 1853 N PRO A1018 -21.055 3.622 2.167 1.00 0.00 N ATOM 1854 CA PRO A1018 -22.449 4.000 2.441 1.00 0.00 C ATOM 1855 C PRO A1018 -23.097 3.122 3.506 1.00 0.00 C ATOM 1856 O PRO A1018 -22.424 2.606 4.398 1.00 0.00 O ATOM 1857 CB PRO A1018 -23.142 3.796 1.091 1.00 0.00 C ATOM 1858 CG PRO A1018 -22.303 2.794 0.380 1.00 0.00 C ATOM 1859 CD PRO A1018 -20.891 3.066 0.811 1.00 0.00 C ATOM 0 HA PRO A1018 -22.523 5.016 2.830 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -24.163 3.436 1.221 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -23.202 4.730 0.532 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -22.602 1.778 0.639 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -22.408 2.892 -0.701 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -20.290 2.157 0.818 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -20.395 3.771 0.144 1.00 0.00 H new ATOM 1867 N ILE A1019 -24.412 2.957 3.401 1.00 0.00 N ATOM 1868 CA ILE A1019 -25.160 2.140 4.354 1.00 0.00 C ATOM 1869 C ILE A1019 -26.111 1.193 3.628 1.00 0.00 C ATOM 1870 O ILE A1019 -25.939 0.904 2.445 1.00 0.00 O ATOM 1871 CB ILE A1019 -25.999 3.010 5.315 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -25.399 4.408 5.461 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -26.096 2.338 6.678 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -26.312 5.371 6.192 1.00 0.00 C ATOM 0 H ILE A1019 -24.982 3.377 2.667 1.00 0.00 H new ATOM 0 HA ILE A1019 -24.422 1.575 4.924 1.00 0.00 H new ATOM 0 HB ILE A1019 -26.999 3.113 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -24.452 4.337 5.996 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -25.177 4.807 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -26.690 2.959 7.349 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -26.572 1.363 6.570 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -25.096 2.210 7.092 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -25.830 6.346 6.264 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -27.250 5.469 5.645 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -26.514 4.992 7.194 1.00 0.00 H new ATOM 1886 N CYS A1020 -27.124 0.733 4.356 1.00 0.00 N ATOM 1887 CA CYS A1020 -28.137 -0.170 3.823 1.00 0.00 C ATOM 1888 C CYS A1020 -29.386 -0.107 4.694 1.00 0.00 C ATOM 1889 O CYS A1020 -29.293 -0.110 5.921 1.00 0.00 O ATOM 1890 CB CYS A1020 -27.622 -1.613 3.781 1.00 0.00 C ATOM 1891 SG CYS A1020 -26.206 -1.895 2.668 1.00 0.00 S ATOM 0 H CYS A1020 -27.265 0.977 5.336 1.00 0.00 H new ATOM 0 HA CYS A1020 -28.373 0.144 2.806 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -27.336 -1.910 4.790 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -28.440 -2.266 3.476 1.00 0.00 H new ATOM 1896 N GLN A1021 -30.551 -0.046 4.063 1.00 0.00 N ATOM 1897 CA GLN A1021 -31.808 0.018 4.802 1.00 0.00 C ATOM 1898 C GLN A1021 -32.935 -0.608 3.993 1.00 0.00 C ATOM 1899 O GLN A1021 -32.978 -0.468 2.773 1.00 0.00 O ATOM 1900 CB GLN A1021 -32.146 1.468 5.162 1.00 0.00 C ATOM 1901 CG GLN A1021 -32.402 2.360 3.962 1.00 0.00 C ATOM 1902 CD GLN A1021 -32.715 3.796 4.350 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -32.585 4.111 5.635 1.00 0.00 O flip ATOM 1904 NE2 GLN A1021 -33.061 4.616 3.500 1.00 0.00 N flip ATOM 0 H GLN A1021 -30.654 -0.039 3.048 1.00 0.00 H new ATOM 0 HA GLN A1021 -31.693 -0.548 5.726 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -33.028 1.476 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -31.326 1.887 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -31.527 2.347 3.312 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -33.233 1.955 3.385 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -33.149 4.333 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -33.260 5.579 3.771 1.00 0.00 H new ATOM 1913 N ARG A1022 -33.833 -1.319 4.676 1.00 0.00 N ATOM 1914 CA ARG A1022 -34.952 -1.998 4.018 1.00 0.00 C ATOM 1915 C ARG A1022 -35.917 -1.037 3.351 1.00 0.00 C ATOM 1916 O ARG A1022 -37.069 -1.387 3.087 1.00 0.00 O ATOM 1917 CB ARG A1022 -35.713 -2.857 5.018 1.00 0.00 C ATOM 1918 CG ARG A1022 -36.299 -2.052 6.164 1.00 0.00 C ATOM 1919 CD ARG A1022 -37.434 -2.799 6.832 1.00 0.00 C ATOM 1920 NE ARG A1022 -37.987 -2.067 7.970 1.00 0.00 N ATOM 1921 CZ ARG A1022 -38.592 -0.887 7.867 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -38.735 -0.309 6.682 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -39.060 -0.284 8.951 1.00 0.00 N ATOM 0 H ARG A1022 -33.808 -1.440 5.688 1.00 0.00 H new ATOM 0 HA ARG A1022 -34.516 -2.622 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -36.517 -3.381 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -35.043 -3.617 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -35.521 -1.837 6.896 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -36.660 -1.093 5.792 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -38.223 -2.983 6.103 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -37.077 -3.773 7.168 1.00 0.00 H new ATOM 0 HE ARG A1022 -37.904 -2.485 8.897 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -38.380 -0.769 5.844 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -39.200 0.596 6.609 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -38.956 -0.725 9.865 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -39.524 0.621 8.871 1.00 0.00 H new ATOM 1937 N ILE A1023 -35.436 0.149 3.046 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.239 1.148 2.369 1.00 0.00 C ATOM 1939 C ILE A1023 -37.419 1.605 3.228 1.00 0.00 C ATOM 1940 O ILE A1023 -38.146 0.786 3.789 1.00 0.00 O ATOM 1941 CB ILE A1023 -36.759 0.581 1.034 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -35.590 0.076 0.182 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -37.545 1.629 0.287 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -36.017 -0.550 -1.129 1.00 0.00 C ATOM 0 H ILE A1023 -34.484 0.448 3.258 1.00 0.00 H new ATOM 0 HA ILE A1023 -35.605 2.015 2.184 1.00 0.00 H new ATOM 0 HB ILE A1023 -37.422 -0.258 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -34.917 0.908 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -35.023 -0.657 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -37.905 1.212 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -38.394 1.947 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -36.905 2.487 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -35.136 -0.884 -1.677 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -36.665 -1.403 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -36.558 0.186 -1.724 1.00 0.00 H new ATOM 1956 N PRO A1024 -37.626 2.930 3.344 1.00 0.00 N ATOM 1957 CA PRO A1024 -38.722 3.498 4.139 1.00 0.00 C ATOM 1958 C PRO A1024 -40.090 3.016 3.668 1.00 0.00 C ATOM 1959 O PRO A1024 -40.996 2.887 4.518 1.00 0.00 O ATOM 1960 CB PRO A1024 -38.579 5.008 3.913 1.00 0.00 C ATOM 1961 CG PRO A1024 -37.154 5.193 3.530 1.00 0.00 C ATOM 1962 CD PRO A1024 -36.811 3.986 2.713 1.00 0.00 C ATOM 1963 OXT PRO A1024 -40.244 2.773 2.453 1.00 0.00 O ATOM 0 HA PRO A1024 -38.662 3.202 5.186 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -39.250 5.357 3.128 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -38.824 5.569 4.815 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -37.015 6.110 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -36.516 5.268 4.410 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.066 4.122 1.662 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -35.746 3.757 2.756 1.00 0.00 H new TER 1971 PRO A1024