USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1007 SER OG : rot 48:sc= -0.0232 USER MOD Set 1.2: A1012 HIS : no HD1:sc= -0.978 K(o=-1,f=-9.4!) USER MOD Set 2.1: A1000 SER OG : rot 180:sc= -0.0113 USER MOD Set 2.2: A1001 SER OG : rot 42:sc= 0.744 USER MOD Set 3.1: A 999 HIS : no HE2:sc= -3.09 K(o=-2.8,f=-11!) USER MOD Set 3.2: A1016 LYS NZ :NH3+ 144:sc= 0.288 (180deg=-0.196) USER MOD Set 4.1: A 975 HIS : no HE2:sc= -2.4! C(o=-2.5!,f=-5.9!) USER MOD Set 4.2: A 987 THR OG1 : rot 180:sc= -0.341 USER MOD Set 4.3: A 989 SER OG : rot 121:sc= 0.23 USER MOD Set 5.1: A 978 THR OG1 : rot 180:sc= 0.19 USER MOD Set 5.2: A 984 SER OG : rot 129:sc= 0.619 USER MOD Set 6.1: A 927 SER OG : rot 180:sc= 1.01 USER MOD Set 6.2: A 944 THR OG1 : rot -22:sc= 1.19 USER MOD Set 7.1: A 937 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 901 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-3.3!) USER MOD Single : A 903 GLN :FLIP amide:sc= -0.574 F(o=-2.9!,f=-0.57) USER MOD Single : A 907 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 912 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 914 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 THR OG1 : rot 0:sc= 0.0216 USER MOD Single : A 916 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 917 THR OG1 : rot 180:sc= 0 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 21:sc= 1.24 USER MOD Single : A 929 LYS NZ :NH3+ -143:sc= -3.6! (180deg=-6.46!) USER MOD Single : A 930 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 936 TYR OH : rot 180:sc= 0 USER MOD Single : A 942 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 948 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 952 SER OG : rot 170:sc= 0.613 USER MOD Single : A 953 SER OG : rot 39:sc= 0.587 USER MOD Single : A 955 LYS NZ :NH3+ 142:sc= -3.63! (180deg=-6.26!) USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 961 LYS NZ :NH3+ -142:sc= -0.0207 (180deg=-0.273) USER MOD Single : A 964 LYS NZ :NH3+ 166:sc= -0.0341 (180deg=-0.245) USER MOD Single : A 965 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 ASN :FLIP amide:sc= -0.988 F(o=-2!,f=-0.99) USER MOD Single : A 973 MET CE :methyl -123:sc= -1.06 (180deg=-2.34) USER MOD Single : A 981 GLN : amide:sc= -5.34! C(o=-5.3!,f=-5.2!) USER MOD Single : A 988 TYR OH : rot 180:sc= -1.7! USER MOD Single : A 991 THR OG1 : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 994 HIS : no HD1:sc= -1.67 X(o=-1.7,f=-2!) USER MOD Single : A1009 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.5) USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1014 SER OG : rot -161:sc= 0.36 USER MOD Single : A1015 THR OG1 : rot 180:sc= -0.973 USER MOD Single : A1021 GLN :FLIP amide:sc= -0.521 F(o=-1.5!,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 900 37.210 -6.533 -3.359 1.00 0.00 N ATOM 44 CA ALA A 900 35.801 -6.858 -3.568 1.00 0.00 C ATOM 45 C ALA A 900 34.894 -5.698 -3.183 1.00 0.00 C ATOM 46 O ALA A 900 35.158 -4.982 -2.216 1.00 0.00 O ATOM 47 CB ALA A 900 35.413 -8.105 -2.791 1.00 0.00 C ATOM 0 HA ALA A 900 35.668 -7.050 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 900 34.360 -8.327 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 900 36.020 -8.946 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 900 35.580 -7.937 -1.727 1.00 0.00 H new ATOM 53 N HIS A 901 33.821 -5.522 -3.946 1.00 0.00 N ATOM 54 CA HIS A 901 32.864 -4.450 -3.694 1.00 0.00 C ATOM 55 C HIS A 901 31.464 -4.872 -4.124 1.00 0.00 C ATOM 56 O HIS A 901 31.298 -5.570 -5.123 1.00 0.00 O ATOM 57 CB HIS A 901 33.264 -3.180 -4.450 1.00 0.00 C ATOM 58 CG HIS A 901 34.670 -2.740 -4.197 1.00 0.00 C ATOM 59 ND1 HIS A 901 35.771 -3.392 -4.711 1.00 0.00 N ATOM 60 CD2 HIS A 901 35.153 -1.709 -3.469 1.00 0.00 C ATOM 61 CE1 HIS A 901 36.870 -2.779 -4.311 1.00 0.00 C ATOM 62 NE2 HIS A 901 36.522 -1.753 -3.556 1.00 0.00 N ATOM 0 H HIS A 901 33.591 -6.110 -4.747 1.00 0.00 H new ATOM 0 HA HIS A 901 32.866 -4.244 -2.624 1.00 0.00 H new ATOM 0 HB2 HIS A 901 33.134 -3.349 -5.519 1.00 0.00 H new ATOM 0 HB3 HIS A 901 32.586 -2.374 -4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 901 34.570 -0.984 -2.920 1.00 0.00 H new ATOM 0 HE1 HIS A 901 37.881 -3.067 -4.559 1.00 0.00 H new ATOM 0 HE2 HIS A 901 37.166 -1.100 -3.110 1.00 0.00 H new ATOM 71 N CYS A 902 30.456 -4.435 -3.374 1.00 0.00 N ATOM 72 CA CYS A 902 29.077 -4.771 -3.698 1.00 0.00 C ATOM 73 C CYS A 902 28.592 -3.931 -4.871 1.00 0.00 C ATOM 74 O CYS A 902 28.571 -2.702 -4.804 1.00 0.00 O ATOM 75 CB CYS A 902 28.171 -4.552 -2.481 1.00 0.00 C ATOM 76 SG CYS A 902 28.398 -2.940 -1.660 1.00 0.00 S ATOM 0 H CYS A 902 30.569 -3.852 -2.545 1.00 0.00 H new ATOM 0 HA CYS A 902 29.034 -5.824 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 902 27.131 -4.644 -2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 902 28.356 -5.345 -1.757 1.00 0.00 H new ATOM 81 N GLN A 903 28.225 -4.610 -5.951 1.00 0.00 N ATOM 82 CA GLN A 903 27.756 -3.940 -7.160 1.00 0.00 C ATOM 83 C GLN A 903 26.579 -3.025 -6.872 1.00 0.00 C ATOM 84 O GLN A 903 25.961 -3.097 -5.811 1.00 0.00 O ATOM 85 CB GLN A 903 27.347 -4.958 -8.223 1.00 0.00 C ATOM 86 CG GLN A 903 28.420 -5.986 -8.537 1.00 0.00 C ATOM 87 CD GLN A 903 29.672 -5.385 -9.154 1.00 0.00 C ATOM 88 OE1 GLN A 903 29.638 -4.089 -9.452 1.00 0.00 O flip ATOM 89 NE2 GLN A 903 30.661 -6.085 -9.373 1.00 0.00 N flip ATOM 0 H GLN A 903 28.243 -5.628 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 903 28.586 -3.339 -7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 903 26.448 -5.476 -7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 903 27.087 -4.427 -9.139 1.00 0.00 H new ATOM 0 HG2 GLN A 903 28.691 -6.508 -7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 903 28.010 -6.731 -9.219 1.00 0.00 H new ATOM 0 HE21 GLN A 903 30.649 -7.076 -9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 903 31.493 -5.674 -9.797 1.00 0.00 H new ATOM 98 N ALA A 904 26.276 -2.171 -7.840 1.00 0.00 N ATOM 99 CA ALA A 904 25.170 -1.234 -7.732 1.00 0.00 C ATOM 100 C ALA A 904 23.907 -1.929 -7.228 1.00 0.00 C ATOM 101 O ALA A 904 23.525 -2.982 -7.740 1.00 0.00 O ATOM 102 CB ALA A 904 24.914 -0.589 -9.083 1.00 0.00 C ATOM 0 H ALA A 904 26.789 -2.109 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 904 25.438 -0.464 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 904 24.084 0.113 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 904 25.808 -0.057 -9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 904 24.665 -1.360 -9.813 1.00 0.00 H new ATOM 108 N PRO A 905 23.235 -1.347 -6.221 1.00 0.00 N ATOM 109 CA PRO A 905 22.007 -1.919 -5.662 1.00 0.00 C ATOM 110 C PRO A 905 20.883 -1.971 -6.691 1.00 0.00 C ATOM 111 O PRO A 905 20.692 -1.028 -7.460 1.00 0.00 O ATOM 112 CB PRO A 905 21.644 -0.965 -4.519 1.00 0.00 C ATOM 113 CG PRO A 905 22.350 0.309 -4.842 1.00 0.00 C ATOM 114 CD PRO A 905 23.610 -0.088 -5.555 1.00 0.00 C ATOM 0 HA PRO A 905 22.150 -2.949 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 905 20.566 -0.815 -4.457 1.00 0.00 H new ATOM 0 HB3 PRO A 905 21.966 -1.362 -3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 905 21.731 0.950 -5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 905 22.575 0.872 -3.936 1.00 0.00 H new ATOM 0 HD2 PRO A 905 23.923 0.670 -6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 905 24.438 -0.230 -4.861 1.00 0.00 H new ATOM 122 N ASP A 906 20.143 -3.075 -6.705 1.00 0.00 N ATOM 123 CA ASP A 906 19.043 -3.237 -7.647 1.00 0.00 C ATOM 124 C ASP A 906 17.974 -2.184 -7.402 1.00 0.00 C ATOM 125 O ASP A 906 17.874 -1.629 -6.306 1.00 0.00 O ATOM 126 CB ASP A 906 18.428 -4.625 -7.535 1.00 0.00 C ATOM 127 CG ASP A 906 17.511 -4.948 -8.698 1.00 0.00 C ATOM 128 OD1 ASP A 906 17.993 -4.947 -9.851 1.00 0.00 O ATOM 129 OD2 ASP A 906 16.313 -5.202 -8.457 1.00 0.00 O ATOM 0 H ASP A 906 20.284 -3.867 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 906 19.445 -3.114 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 906 19.223 -5.369 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 906 17.867 -4.696 -6.603 1.00 0.00 H new ATOM 134 N HIS A 907 17.183 -1.907 -8.426 1.00 0.00 N ATOM 135 CA HIS A 907 16.123 -0.912 -8.323 1.00 0.00 C ATOM 136 C HIS A 907 14.907 -1.465 -7.598 1.00 0.00 C ATOM 137 O HIS A 907 14.367 -2.511 -7.960 1.00 0.00 O ATOM 138 CB HIS A 907 15.721 -0.411 -9.705 1.00 0.00 C ATOM 139 CG HIS A 907 16.816 0.321 -10.407 1.00 0.00 C ATOM 140 ND1 HIS A 907 17.300 1.543 -9.990 1.00 0.00 N ATOM 141 CD2 HIS A 907 17.534 -0.016 -11.496 1.00 0.00 C ATOM 142 CE1 HIS A 907 18.271 1.927 -10.800 1.00 0.00 C ATOM 143 NE2 HIS A 907 18.433 0.997 -11.724 1.00 0.00 N ATOM 0 H HIS A 907 17.253 -2.356 -9.339 1.00 0.00 H new ATOM 0 HA HIS A 907 16.514 -0.077 -7.741 1.00 0.00 H new ATOM 0 HB2 HIS A 907 15.410 -1.259 -10.315 1.00 0.00 H new ATOM 0 HB3 HIS A 907 14.857 0.246 -9.609 1.00 0.00 H new ATOM 0 HD2 HIS A 907 17.423 -0.917 -12.082 1.00 0.00 H new ATOM 0 HE1 HIS A 907 18.836 2.844 -10.720 1.00 0.00 H new ATOM 0 HE2 HIS A 907 19.114 1.026 -12.483 1.00 0.00 H new ATOM 152 N PHE A 908 14.483 -0.740 -6.578 1.00 0.00 N ATOM 153 CA PHE A 908 13.322 -1.123 -5.783 1.00 0.00 C ATOM 154 C PHE A 908 12.054 -0.508 -6.356 1.00 0.00 C ATOM 155 O PHE A 908 10.980 -1.108 -6.287 1.00 0.00 O ATOM 156 CB PHE A 908 13.503 -0.699 -4.324 1.00 0.00 C ATOM 157 CG PHE A 908 14.528 -1.512 -3.583 1.00 0.00 C ATOM 158 CD1 PHE A 908 15.685 -1.941 -4.214 1.00 0.00 C ATOM 159 CD2 PHE A 908 14.334 -1.843 -2.253 1.00 0.00 C ATOM 160 CE1 PHE A 908 16.628 -2.687 -3.533 1.00 0.00 C ATOM 161 CE2 PHE A 908 15.273 -2.589 -1.565 1.00 0.00 C ATOM 162 CZ PHE A 908 16.422 -3.011 -2.206 1.00 0.00 C ATOM 0 H PHE A 908 14.928 0.126 -6.276 1.00 0.00 H new ATOM 0 HA PHE A 908 13.229 -2.208 -5.819 1.00 0.00 H new ATOM 0 HB2 PHE A 908 13.793 0.351 -4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 908 12.546 -0.781 -3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 908 15.852 -1.689 -5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 908 13.438 -1.515 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 908 17.524 -3.016 -4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 908 15.109 -2.842 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.158 -3.593 -1.671 1.00 0.00 H new ATOM 172 N LEU A 909 12.197 0.693 -6.919 1.00 0.00 N ATOM 173 CA LEU A 909 11.078 1.420 -7.517 1.00 0.00 C ATOM 174 C LEU A 909 10.182 2.030 -6.446 1.00 0.00 C ATOM 175 O LEU A 909 9.838 3.208 -6.515 1.00 0.00 O ATOM 176 CB LEU A 909 10.254 0.503 -8.427 1.00 0.00 C ATOM 177 CG LEU A 909 10.927 0.094 -9.743 1.00 0.00 C ATOM 178 CD1 LEU A 909 12.277 -0.560 -9.496 1.00 0.00 C ATOM 179 CD2 LEU A 909 10.022 -0.849 -10.512 1.00 0.00 C ATOM 0 H LEU A 909 13.088 1.187 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 909 11.497 2.227 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 909 10.005 -0.401 -7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 909 9.314 1.003 -8.661 1.00 0.00 H new ATOM 0 HG LEU A 909 11.096 0.995 -10.332 1.00 0.00 H new ATOM 0 HD11 LEU A 909 12.727 -0.838 -10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 909 12.931 0.140 -8.977 1.00 0.00 H new ATOM 0 HD13 LEU A 909 12.143 -1.452 -8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 909 10.505 -1.136 -11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 909 9.831 -1.740 -9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 909 9.078 -0.350 -10.730 1.00 0.00 H new ATOM 191 N PHE A 910 9.811 1.227 -5.455 1.00 0.00 N ATOM 192 CA PHE A 910 8.959 1.700 -4.373 1.00 0.00 C ATOM 193 C PHE A 910 9.786 2.355 -3.272 1.00 0.00 C ATOM 194 O PHE A 910 9.316 2.518 -2.147 1.00 0.00 O ATOM 195 CB PHE A 910 8.133 0.541 -3.804 1.00 0.00 C ATOM 196 CG PHE A 910 8.941 -0.683 -3.456 1.00 0.00 C ATOM 197 CD1 PHE A 910 10.008 -0.609 -2.574 1.00 0.00 C ATOM 198 CD2 PHE A 910 8.624 -1.912 -4.013 1.00 0.00 C ATOM 199 CE1 PHE A 910 10.743 -1.735 -2.256 1.00 0.00 C ATOM 200 CE2 PHE A 910 9.356 -3.041 -3.699 1.00 0.00 C ATOM 201 CZ PHE A 910 10.416 -2.953 -2.819 1.00 0.00 C ATOM 0 H PHE A 910 10.087 0.248 -5.379 1.00 0.00 H new ATOM 0 HA PHE A 910 8.280 2.451 -4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.613 0.885 -2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 910 7.369 0.264 -4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 910 10.268 0.341 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 910 7.795 -1.988 -4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 910 11.572 -1.663 -1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 910 9.099 -3.992 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 910 10.988 -3.835 -2.571 1.00 0.00 H new ATOM 211 N ALA A 911 11.016 2.733 -3.609 1.00 0.00 N ATOM 212 CA ALA A 911 11.908 3.376 -2.651 1.00 0.00 C ATOM 213 C ALA A 911 12.968 4.211 -3.362 1.00 0.00 C ATOM 214 O ALA A 911 13.680 3.712 -4.235 1.00 0.00 O ATOM 215 CB ALA A 911 12.564 2.333 -1.758 1.00 0.00 C ATOM 0 H ALA A 911 11.417 2.605 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 911 11.313 4.046 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 911 13.227 2.827 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.795 1.784 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 911 13.140 1.640 -2.371 1.00 0.00 H new ATOM 221 N LYS A 912 13.071 5.481 -2.983 1.00 0.00 N ATOM 222 CA LYS A 912 14.048 6.382 -3.586 1.00 0.00 C ATOM 223 C LYS A 912 15.310 6.475 -2.732 1.00 0.00 C ATOM 224 O LYS A 912 15.234 6.652 -1.514 1.00 0.00 O ATOM 225 CB LYS A 912 13.443 7.775 -3.774 1.00 0.00 C ATOM 226 CG LYS A 912 12.217 7.790 -4.674 1.00 0.00 C ATOM 227 CD LYS A 912 11.678 9.200 -4.867 1.00 0.00 C ATOM 228 CE LYS A 912 11.228 9.816 -3.551 1.00 0.00 C ATOM 229 NZ LYS A 912 10.695 11.194 -3.737 1.00 0.00 N ATOM 0 H LYS A 912 12.491 5.909 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 912 14.321 5.976 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 912 13.172 8.179 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 912 14.200 8.437 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 912 12.472 7.362 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 912 11.440 7.159 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 912 12.449 9.826 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 912 10.840 9.177 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 912 10.460 9.188 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 912 12.068 9.842 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 10.399 11.579 -2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 11.435 11.801 -4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 9.878 11.166 -4.380 1.00 0.00 H new ATOM 243 N LEU A 913 16.467 6.359 -3.380 1.00 0.00 N ATOM 244 CA LEU A 913 17.752 6.436 -2.689 1.00 0.00 C ATOM 245 C LEU A 913 17.801 7.653 -1.769 1.00 0.00 C ATOM 246 O LEU A 913 17.293 8.721 -2.109 1.00 0.00 O ATOM 247 CB LEU A 913 18.900 6.480 -3.709 1.00 0.00 C ATOM 248 CG LEU A 913 20.321 6.503 -3.125 1.00 0.00 C ATOM 249 CD1 LEU A 913 20.691 7.895 -2.636 1.00 0.00 C ATOM 250 CD2 LEU A 913 20.468 5.475 -2.009 1.00 0.00 C ATOM 0 H LEU A 913 16.541 6.211 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 913 17.868 5.544 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.812 5.612 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 913 18.771 7.364 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 913 21.014 6.236 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 913 21.702 7.881 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.646 8.597 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 913 19.991 8.206 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 913 21.483 5.511 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 913 19.759 5.699 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 913 20.268 4.479 -2.403 1.00 0.00 H new ATOM 262 N LYS A 914 18.416 7.479 -0.603 1.00 0.00 N ATOM 263 CA LYS A 914 18.536 8.557 0.375 1.00 0.00 C ATOM 264 C LYS A 914 19.840 8.440 1.155 1.00 0.00 C ATOM 265 O LYS A 914 19.837 8.224 2.367 1.00 0.00 O ATOM 266 CB LYS A 914 17.347 8.543 1.334 1.00 0.00 C ATOM 267 CG LYS A 914 16.028 8.879 0.662 1.00 0.00 C ATOM 268 CD LYS A 914 15.994 10.320 0.178 1.00 0.00 C ATOM 269 CE LYS A 914 14.674 10.648 -0.500 1.00 0.00 C ATOM 270 NZ LYS A 914 14.631 12.057 -0.981 1.00 0.00 N ATOM 0 H LYS A 914 18.841 6.599 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 914 18.542 9.504 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 914 17.272 7.557 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 914 17.529 9.256 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 914 15.868 8.208 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 914 15.210 8.711 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 914 16.148 10.992 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 914 16.815 10.490 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 914 14.521 9.972 -1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 914 13.855 10.478 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 13.715 12.240 -1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 14.752 12.703 -0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 15.397 12.213 -1.667 1.00 0.00 H new ATOM 284 N THR A 915 20.951 8.579 0.444 1.00 0.00 N ATOM 285 CA THR A 915 22.278 8.484 1.043 1.00 0.00 C ATOM 286 C THR A 915 23.349 8.981 0.082 1.00 0.00 C ATOM 287 O THR A 915 23.296 8.709 -1.118 1.00 0.00 O ATOM 288 CB THR A 915 22.610 7.031 1.444 1.00 0.00 C ATOM 289 OG1 THR A 915 21.828 6.638 2.576 1.00 0.00 O ATOM 290 CG2 THR A 915 24.091 6.871 1.762 1.00 0.00 C ATOM 0 H THR A 915 20.960 8.760 -0.560 1.00 0.00 H new ATOM 0 HA THR A 915 22.268 9.111 1.935 1.00 0.00 H new ATOM 0 HB THR A 915 22.369 6.388 0.597 1.00 0.00 H new ATOM 0 HG1 THR A 915 21.249 7.381 2.848 1.00 0.00 H new ATOM 0 HG21 THR A 915 24.294 5.837 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 915 24.682 7.132 0.884 1.00 0.00 H new ATOM 0 HG23 THR A 915 24.359 7.529 2.589 1.00 0.00 H new ATOM 298 N GLN A 916 24.324 9.712 0.620 1.00 0.00 N ATOM 299 CA GLN A 916 25.413 10.246 -0.187 1.00 0.00 C ATOM 300 C GLN A 916 26.049 9.144 -1.025 1.00 0.00 C ATOM 301 O GLN A 916 26.481 8.120 -0.496 1.00 0.00 O ATOM 302 CB GLN A 916 26.469 10.891 0.713 1.00 0.00 C ATOM 303 CG GLN A 916 26.970 9.969 1.812 1.00 0.00 C ATOM 304 CD GLN A 916 28.090 10.580 2.628 1.00 0.00 C ATOM 305 OE1 GLN A 916 27.942 11.663 3.196 1.00 0.00 O ATOM 306 NE2 GLN A 916 29.219 9.883 2.697 1.00 0.00 N ATOM 0 H GLN A 916 24.380 9.946 1.611 1.00 0.00 H new ATOM 0 HA GLN A 916 25.005 11.003 -0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 916 27.314 11.207 0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 916 26.050 11.790 1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 916 26.141 9.716 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 916 27.318 9.037 1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 916 29.298 8.990 2.210 1.00 0.00 H new ATOM 0 HE22 GLN A 916 30.007 10.241 3.237 1.00 0.00 H new ATOM 315 N THR A 917 26.100 9.361 -2.336 1.00 0.00 N ATOM 316 CA THR A 917 26.677 8.385 -3.252 1.00 0.00 C ATOM 317 C THR A 917 27.240 9.069 -4.493 1.00 0.00 C ATOM 318 O THR A 917 26.602 9.945 -5.075 1.00 0.00 O ATOM 319 CB THR A 917 25.635 7.338 -3.698 1.00 0.00 C ATOM 320 OG1 THR A 917 24.546 7.984 -4.366 1.00 0.00 O ATOM 321 CG2 THR A 917 25.107 6.543 -2.514 1.00 0.00 C ATOM 0 H THR A 917 25.748 10.205 -2.787 1.00 0.00 H new ATOM 0 HA THR A 917 27.479 7.883 -2.710 1.00 0.00 H new ATOM 0 HB THR A 917 26.127 6.647 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 917 23.890 7.312 -4.647 1.00 0.00 H new ATOM 0 HG21 THR A 917 24.375 5.814 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 917 25.933 6.024 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 917 24.634 7.220 -1.803 1.00 0.00 H new ATOM 329 N THR A 918 28.438 8.655 -4.893 1.00 0.00 N ATOM 330 CA THR A 918 29.096 9.218 -6.067 1.00 0.00 C ATOM 331 C THR A 918 29.967 8.167 -6.746 1.00 0.00 C ATOM 332 O THR A 918 31.106 8.437 -7.129 1.00 0.00 O ATOM 333 CB THR A 918 29.970 10.435 -5.702 1.00 0.00 C ATOM 334 OG1 THR A 918 30.944 10.062 -4.719 1.00 0.00 O ATOM 335 CG2 THR A 918 29.121 11.581 -5.172 1.00 0.00 C ATOM 0 H THR A 918 28.975 7.929 -4.419 1.00 0.00 H new ATOM 0 HA THR A 918 28.311 9.545 -6.748 1.00 0.00 H new ATOM 0 HB THR A 918 30.475 10.771 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 918 31.496 10.840 -4.494 1.00 0.00 H new ATOM 0 HG21 THR A 918 29.764 12.425 -4.923 1.00 0.00 H new ATOM 0 HG22 THR A 918 28.403 11.884 -5.934 1.00 0.00 H new ATOM 0 HG23 THR A 918 28.587 11.256 -4.279 1.00 0.00 H new ATOM 343 N ALA A 919 29.419 6.964 -6.882 1.00 0.00 N ATOM 344 CA ALA A 919 30.131 5.856 -7.502 1.00 0.00 C ATOM 345 C ALA A 919 29.184 4.694 -7.778 1.00 0.00 C ATOM 346 O ALA A 919 28.146 4.563 -7.131 1.00 0.00 O ATOM 347 CB ALA A 919 31.275 5.406 -6.611 1.00 0.00 C ATOM 0 H ALA A 919 28.477 6.732 -6.568 1.00 0.00 H new ATOM 0 HA ALA A 919 30.539 6.196 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 919 31.801 4.577 -7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 919 31.966 6.235 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 919 30.880 5.083 -5.648 1.00 0.00 H new ATOM 353 N SER A 920 29.545 3.854 -8.742 1.00 0.00 N ATOM 354 CA SER A 920 28.720 2.707 -9.098 1.00 0.00 C ATOM 355 C SER A 920 29.008 1.526 -8.178 1.00 0.00 C ATOM 356 O SER A 920 28.087 0.869 -7.692 1.00 0.00 O ATOM 357 CB SER A 920 28.962 2.309 -10.549 1.00 0.00 C ATOM 358 OG SER A 920 28.631 3.366 -11.433 1.00 0.00 O ATOM 0 H SER A 920 30.401 3.946 -9.289 1.00 0.00 H new ATOM 0 HA SER A 920 27.675 2.991 -8.979 1.00 0.00 H new ATOM 0 HB2 SER A 920 30.008 2.033 -10.683 1.00 0.00 H new ATOM 0 HB3 SER A 920 28.367 1.429 -10.791 1.00 0.00 H new ATOM 0 HG SER A 920 28.797 3.084 -12.357 1.00 0.00 H new ATOM 364 N ASP A 921 30.287 1.266 -7.937 1.00 0.00 N ATOM 365 CA ASP A 921 30.689 0.166 -7.066 1.00 0.00 C ATOM 366 C ASP A 921 30.693 0.608 -5.605 1.00 0.00 C ATOM 367 O ASP A 921 31.415 1.531 -5.229 1.00 0.00 O ATOM 368 CB ASP A 921 32.075 -0.344 -7.460 1.00 0.00 C ATOM 369 CG ASP A 921 32.119 -0.859 -8.885 1.00 0.00 C ATOM 370 OD1 ASP A 921 31.369 -1.809 -9.196 1.00 0.00 O ATOM 371 OD2 ASP A 921 32.901 -0.311 -9.691 1.00 0.00 O ATOM 0 H ASP A 921 31.062 1.799 -8.330 1.00 0.00 H new ATOM 0 HA ASP A 921 29.967 -0.642 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 921 32.801 0.461 -7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 921 32.373 -1.142 -6.779 1.00 0.00 H new ATOM 376 N PHE A 922 29.888 -0.061 -4.787 1.00 0.00 N ATOM 377 CA PHE A 922 29.806 0.260 -3.367 1.00 0.00 C ATOM 378 C PHE A 922 30.697 -0.661 -2.547 1.00 0.00 C ATOM 379 O PHE A 922 30.803 -1.852 -2.831 1.00 0.00 O ATOM 380 CB PHE A 922 28.364 0.168 -2.866 1.00 0.00 C ATOM 381 CG PHE A 922 27.466 1.232 -3.423 1.00 0.00 C ATOM 382 CD1 PHE A 922 27.156 1.266 -4.773 1.00 0.00 C ATOM 383 CD2 PHE A 922 26.941 2.206 -2.593 1.00 0.00 C ATOM 384 CE1 PHE A 922 26.336 2.253 -5.284 1.00 0.00 C ATOM 385 CE2 PHE A 922 26.121 3.194 -3.096 1.00 0.00 C ATOM 386 CZ PHE A 922 25.817 3.220 -4.444 1.00 0.00 C ATOM 0 H PHE A 922 29.284 -0.828 -5.082 1.00 0.00 H new ATOM 0 HA PHE A 922 30.154 1.285 -3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 922 27.959 -0.810 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.361 0.235 -1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 922 27.560 0.513 -5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.176 2.193 -1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 922 26.101 2.269 -6.338 1.00 0.00 H new ATOM 0 HE2 PHE A 922 25.716 3.948 -2.437 1.00 0.00 H new ATOM 0 HZ PHE A 922 25.176 3.994 -4.840 1.00 0.00 H new ATOM 396 N PRO A 923 31.357 -0.118 -1.513 1.00 0.00 N ATOM 397 CA PRO A 923 32.243 -0.897 -0.647 1.00 0.00 C ATOM 398 C PRO A 923 31.472 -1.779 0.330 1.00 0.00 C ATOM 399 O PRO A 923 30.547 -1.314 0.998 1.00 0.00 O ATOM 400 CB PRO A 923 33.018 0.181 0.109 1.00 0.00 C ATOM 401 CG PRO A 923 32.080 1.337 0.173 1.00 0.00 C ATOM 402 CD PRO A 923 31.289 1.302 -1.108 1.00 0.00 C ATOM 0 HA PRO A 923 32.872 -1.584 -1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 923 33.300 -0.158 1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.939 0.445 -0.410 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.423 1.259 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.625 2.276 0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.260 1.627 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 923 31.721 1.957 -1.865 1.00 0.00 H new ATOM 410 N ILE A 924 31.866 -3.048 0.425 1.00 0.00 N ATOM 411 CA ILE A 924 31.217 -3.981 1.340 1.00 0.00 C ATOM 412 C ILE A 924 31.219 -3.407 2.751 1.00 0.00 C ATOM 413 O ILE A 924 32.127 -2.665 3.124 1.00 0.00 O ATOM 414 CB ILE A 924 31.910 -5.354 1.343 1.00 0.00 C ATOM 415 CG1 ILE A 924 31.948 -5.932 -0.073 1.00 0.00 C ATOM 416 CG2 ILE A 924 31.182 -6.294 2.288 1.00 0.00 C ATOM 417 CD1 ILE A 924 32.691 -7.248 -0.174 1.00 0.00 C ATOM 0 H ILE A 924 32.629 -3.451 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 924 30.192 -4.122 0.996 1.00 0.00 H new ATOM 0 HB ILE A 924 32.937 -5.236 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 924 30.926 -6.074 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 924 32.417 -5.208 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 924 31.676 -7.266 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 924 31.197 -5.880 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 924 30.149 -6.412 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 924 32.676 -7.596 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 924 33.723 -7.109 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 924 32.209 -7.988 0.465 1.00 0.00 H new ATOM 429 N GLY A 925 30.186 -3.724 3.520 1.00 0.00 N ATOM 430 CA GLY A 925 30.088 -3.191 4.862 1.00 0.00 C ATOM 431 C GLY A 925 29.602 -1.759 4.825 1.00 0.00 C ATOM 432 O GLY A 925 30.348 -0.831 5.134 1.00 0.00 O ATOM 0 H GLY A 925 29.420 -4.336 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 925 29.403 -3.799 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 925 31.061 -3.239 5.352 1.00 0.00 H new ATOM 436 N THR A 926 28.350 -1.590 4.412 1.00 0.00 N ATOM 437 CA THR A 926 27.744 -0.271 4.285 1.00 0.00 C ATOM 438 C THR A 926 26.270 -0.387 3.916 1.00 0.00 C ATOM 439 O THR A 926 25.915 -0.969 2.890 1.00 0.00 O ATOM 440 CB THR A 926 28.473 0.558 3.200 1.00 0.00 C ATOM 441 OG1 THR A 926 29.664 1.141 3.740 1.00 0.00 O ATOM 442 CG2 THR A 926 27.581 1.651 2.622 1.00 0.00 C ATOM 0 H THR A 926 27.731 -2.359 4.157 1.00 0.00 H new ATOM 0 HA THR A 926 27.834 0.231 5.248 1.00 0.00 H new ATOM 0 HB THR A 926 28.733 -0.124 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 926 29.941 0.642 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 926 28.132 2.208 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.699 1.199 2.169 1.00 0.00 H new ATOM 0 HG23 THR A 926 27.273 2.329 3.418 1.00 0.00 H new ATOM 450 N SER A 927 25.417 0.175 4.767 1.00 0.00 N ATOM 451 CA SER A 927 23.978 0.148 4.546 1.00 0.00 C ATOM 452 C SER A 927 23.534 1.368 3.749 1.00 0.00 C ATOM 453 O SER A 927 23.846 2.502 4.112 1.00 0.00 O ATOM 454 CB SER A 927 23.236 0.112 5.883 1.00 0.00 C ATOM 455 OG SER A 927 23.639 -0.998 6.664 1.00 0.00 O ATOM 0 H SER A 927 25.701 0.657 5.620 1.00 0.00 H new ATOM 0 HA SER A 927 23.739 -0.751 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 927 23.426 1.034 6.432 1.00 0.00 H new ATOM 0 HB3 SER A 927 22.162 0.063 5.704 1.00 0.00 H new ATOM 0 HG SER A 927 23.150 -0.995 7.513 1.00 0.00 H new ATOM 461 N LEU A 928 22.793 1.135 2.672 1.00 0.00 N ATOM 462 CA LEU A 928 22.300 2.228 1.847 1.00 0.00 C ATOM 463 C LEU A 928 20.862 2.551 2.242 1.00 0.00 C ATOM 464 O LEU A 928 20.019 1.660 2.313 1.00 0.00 O ATOM 465 CB LEU A 928 22.389 1.858 0.365 1.00 0.00 C ATOM 466 CG LEU A 928 22.693 3.027 -0.575 1.00 0.00 C ATOM 467 CD1 LEU A 928 24.006 3.694 -0.186 1.00 0.00 C ATOM 468 CD2 LEU A 928 22.745 2.550 -2.018 1.00 0.00 C ATOM 0 H LEU A 928 22.522 0.205 2.352 1.00 0.00 H new ATOM 0 HA LEU A 928 22.917 3.112 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 928 23.163 1.100 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.446 1.403 0.062 1.00 0.00 H new ATOM 0 HG LEU A 928 21.892 3.761 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 928 24.208 4.523 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 928 23.935 4.069 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 928 24.816 2.968 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 928 22.962 3.394 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 928 23.526 1.798 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 928 21.784 2.116 -2.293 1.00 0.00 H new ATOM 480 N LYS A 929 20.595 3.820 2.531 1.00 0.00 N ATOM 481 CA LYS A 929 19.265 4.241 2.964 1.00 0.00 C ATOM 482 C LYS A 929 18.305 4.417 1.791 1.00 0.00 C ATOM 483 O LYS A 929 18.640 5.044 0.786 1.00 0.00 O ATOM 484 CB LYS A 929 19.363 5.553 3.744 1.00 0.00 C ATOM 485 CG LYS A 929 18.068 5.960 4.430 1.00 0.00 C ATOM 486 CD LYS A 929 17.662 4.972 5.513 1.00 0.00 C ATOM 487 CE LYS A 929 18.610 5.012 6.702 1.00 0.00 C ATOM 488 NZ LYS A 929 19.975 4.524 6.356 1.00 0.00 N ATOM 0 H LYS A 929 21.279 4.574 2.474 1.00 0.00 H new ATOM 0 HA LYS A 929 18.867 3.453 3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 929 20.147 5.460 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 929 19.667 6.348 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 929 18.186 6.951 4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 929 17.272 6.033 3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 929 16.650 5.197 5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 929 17.644 3.965 5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 929 18.676 6.034 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 929 18.203 4.403 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 20.366 3.989 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 19.922 3.907 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 20.591 5.335 6.148 1.00 0.00 H new ATOM 502 N TYR A 930 17.100 3.870 1.943 1.00 0.00 N ATOM 503 CA TYR A 930 16.065 3.971 0.915 1.00 0.00 C ATOM 504 C TYR A 930 14.704 4.244 1.548 1.00 0.00 C ATOM 505 O TYR A 930 14.246 3.486 2.403 1.00 0.00 O ATOM 506 CB TYR A 930 15.984 2.685 0.083 1.00 0.00 C ATOM 507 CG TYR A 930 17.098 2.517 -0.926 1.00 0.00 C ATOM 508 CD1 TYR A 930 18.412 2.321 -0.523 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.828 2.553 -2.288 1.00 0.00 C ATOM 510 CE1 TYR A 930 19.425 2.167 -1.449 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.836 2.399 -3.220 1.00 0.00 C ATOM 512 CZ TYR A 930 19.131 2.207 -2.796 1.00 0.00 C ATOM 513 OH TYR A 930 20.139 2.054 -3.721 1.00 0.00 O ATOM 0 H TYR A 930 16.815 3.350 2.773 1.00 0.00 H new ATOM 0 HA TYR A 930 16.335 4.800 0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.991 1.830 0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 930 15.029 2.668 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 930 18.646 2.288 0.531 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.813 2.704 -2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 930 20.443 2.016 -1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.609 2.429 -4.275 1.00 0.00 H new ATOM 0 HH TYR A 930 19.764 2.106 -4.625 1.00 0.00 H new ATOM 523 N GLU A 931 14.058 5.324 1.120 1.00 0.00 N ATOM 524 CA GLU A 931 12.745 5.684 1.646 1.00 0.00 C ATOM 525 C GLU A 931 11.640 5.298 0.668 1.00 0.00 C ATOM 526 O GLU A 931 11.665 5.695 -0.497 1.00 0.00 O ATOM 527 CB GLU A 931 12.679 7.185 1.943 1.00 0.00 C ATOM 528 CG GLU A 931 13.676 7.641 2.995 1.00 0.00 C ATOM 529 CD GLU A 931 13.550 9.118 3.315 1.00 0.00 C ATOM 530 OE1 GLU A 931 13.709 9.942 2.391 1.00 0.00 O ATOM 531 OE2 GLU A 931 13.291 9.450 4.491 1.00 0.00 O ATOM 0 H GLU A 931 14.420 5.963 0.413 1.00 0.00 H new ATOM 0 HA GLU A 931 12.593 5.132 2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 931 12.858 7.738 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 931 11.672 7.437 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 931 13.528 7.061 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 931 14.688 7.433 2.646 1.00 0.00 H new ATOM 538 N CYS A 932 10.671 4.526 1.148 1.00 0.00 N ATOM 539 CA CYS A 932 9.553 4.090 0.317 1.00 0.00 C ATOM 540 C CYS A 932 8.796 5.280 -0.263 1.00 0.00 C ATOM 541 O CYS A 932 8.972 6.417 0.177 1.00 0.00 O ATOM 542 CB CYS A 932 8.599 3.201 1.118 1.00 0.00 C ATOM 543 SG CYS A 932 9.324 1.613 1.642 1.00 0.00 S ATOM 0 H CYS A 932 10.637 4.188 2.110 1.00 0.00 H new ATOM 0 HA CYS A 932 9.964 3.511 -0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 932 8.268 3.746 2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.713 3.002 0.515 1.00 0.00 H new ATOM 548 N ARG A 933 7.950 5.007 -1.251 1.00 0.00 N ATOM 549 CA ARG A 933 7.157 6.049 -1.896 1.00 0.00 C ATOM 550 C ARG A 933 5.904 6.347 -1.076 1.00 0.00 C ATOM 551 O ARG A 933 5.480 5.525 -0.266 1.00 0.00 O ATOM 552 CB ARG A 933 6.764 5.618 -3.311 1.00 0.00 C ATOM 553 CG ARG A 933 7.948 5.271 -4.199 1.00 0.00 C ATOM 554 CD ARG A 933 7.495 4.854 -5.590 1.00 0.00 C ATOM 555 NE ARG A 933 6.786 5.929 -6.282 1.00 0.00 N ATOM 556 CZ ARG A 933 7.343 7.091 -6.612 1.00 0.00 C ATOM 557 NH1 ARG A 933 8.618 7.326 -6.330 1.00 0.00 N ATOM 558 NH2 ARG A 933 6.625 8.018 -7.232 1.00 0.00 N ATOM 0 H ARG A 933 7.795 4.070 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 933 7.761 6.954 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 933 6.104 4.753 -3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 933 6.193 6.420 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 933 8.613 6.131 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 933 8.522 4.463 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 933 8.362 4.554 -6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 933 6.845 3.982 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 933 5.807 5.779 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 933 9.176 6.614 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 933 9.041 8.219 -6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 933 5.646 7.840 -7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 933 7.052 8.909 -7.485 1.00 0.00 H new ATOM 572 N PRO A 934 5.298 7.535 -1.266 1.00 0.00 N ATOM 573 CA PRO A 934 4.094 7.935 -0.531 1.00 0.00 C ATOM 574 C PRO A 934 3.060 6.816 -0.441 1.00 0.00 C ATOM 575 O PRO A 934 2.513 6.550 0.630 1.00 0.00 O ATOM 576 CB PRO A 934 3.553 9.095 -1.361 1.00 0.00 C ATOM 577 CG PRO A 934 4.764 9.711 -1.973 1.00 0.00 C ATOM 578 CD PRO A 934 5.740 8.586 -2.206 1.00 0.00 C ATOM 0 HA PRO A 934 4.315 8.193 0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 934 2.856 8.747 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 934 3.014 9.811 -0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 934 4.515 10.210 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 934 5.192 10.466 -1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 934 5.710 8.238 -3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 934 6.765 8.897 -2.005 1.00 0.00 H new ATOM 586 N GLU A 935 2.798 6.160 -1.568 1.00 0.00 N ATOM 587 CA GLU A 935 1.831 5.066 -1.609 1.00 0.00 C ATOM 588 C GLU A 935 2.387 3.804 -0.949 1.00 0.00 C ATOM 589 O GLU A 935 1.987 2.691 -1.288 1.00 0.00 O ATOM 590 CB GLU A 935 1.434 4.765 -3.057 1.00 0.00 C ATOM 591 CG GLU A 935 0.798 5.947 -3.769 1.00 0.00 C ATOM 592 CD GLU A 935 0.403 5.624 -5.198 1.00 0.00 C ATOM 593 OE1 GLU A 935 1.296 5.262 -5.993 1.00 0.00 O ATOM 594 OE2 GLU A 935 -0.798 5.729 -5.519 1.00 0.00 O ATOM 0 H GLU A 935 3.241 6.366 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 935 0.949 5.380 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 935 2.319 4.451 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 935 0.737 3.927 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 935 -0.085 6.268 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 935 1.496 6.784 -3.769 1.00 0.00 H new ATOM 601 N TYR A 936 3.311 3.983 -0.008 1.00 0.00 N ATOM 602 CA TYR A 936 3.921 2.860 0.700 1.00 0.00 C ATOM 603 C TYR A 936 4.213 3.236 2.150 1.00 0.00 C ATOM 604 O TYR A 936 4.331 4.415 2.484 1.00 0.00 O ATOM 605 CB TYR A 936 5.214 2.410 0.010 1.00 0.00 C ATOM 606 CG TYR A 936 5.020 1.930 -1.413 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.890 2.833 -2.461 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.961 0.573 -1.707 1.00 0.00 C ATOM 609 CE1 TYR A 936 4.708 2.398 -3.760 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.780 0.131 -3.003 1.00 0.00 C ATOM 611 CZ TYR A 936 4.654 1.047 -4.026 1.00 0.00 C ATOM 612 OH TYR A 936 4.474 0.611 -5.319 1.00 0.00 O ATOM 0 H TYR A 936 3.655 4.898 0.283 1.00 0.00 H new ATOM 0 HA TYR A 936 3.213 2.032 0.682 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.921 3.240 0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 936 5.665 1.608 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 936 4.932 3.893 -2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 936 5.058 -0.148 -0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 936 4.609 3.113 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.737 -0.927 -3.214 1.00 0.00 H new ATOM 0 HH TYR A 936 4.460 -0.369 -5.335 1.00 0.00 H new ATOM 622 N TYR A 937 4.327 2.227 3.010 1.00 0.00 N ATOM 623 CA TYR A 937 4.604 2.455 4.424 1.00 0.00 C ATOM 624 C TYR A 937 5.510 1.361 4.985 1.00 0.00 C ATOM 625 O TYR A 937 5.326 0.178 4.694 1.00 0.00 O ATOM 626 CB TYR A 937 3.291 2.521 5.220 1.00 0.00 C ATOM 627 CG TYR A 937 2.534 1.208 5.298 1.00 0.00 C ATOM 628 CD1 TYR A 937 2.887 0.232 6.224 1.00 0.00 C ATOM 629 CD2 TYR A 937 1.468 0.944 4.446 1.00 0.00 C ATOM 630 CE1 TYR A 937 2.201 -0.964 6.298 1.00 0.00 C ATOM 631 CE2 TYR A 937 0.777 -0.251 4.514 1.00 0.00 C ATOM 632 CZ TYR A 937 1.148 -1.201 5.442 1.00 0.00 C ATOM 633 OH TYR A 937 0.462 -2.392 5.513 1.00 0.00 O ATOM 0 H TYR A 937 4.232 1.245 2.752 1.00 0.00 H new ATOM 0 HA TYR A 937 5.123 3.409 4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 937 3.512 2.859 6.233 1.00 0.00 H new ATOM 0 HB3 TYR A 937 2.644 3.272 4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 937 3.712 0.413 6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 937 1.174 1.686 3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 937 2.489 -1.710 7.024 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -0.049 -0.440 3.844 1.00 0.00 H new ATOM 0 HH TYR A 937 -0.252 -2.399 4.841 1.00 0.00 H new ATOM 643 N GLY A 938 6.491 1.764 5.785 1.00 0.00 N ATOM 644 CA GLY A 938 7.410 0.805 6.372 1.00 0.00 C ATOM 645 C GLY A 938 8.740 1.424 6.745 1.00 0.00 C ATOM 646 O GLY A 938 9.765 0.744 6.737 1.00 0.00 O ATOM 0 H GLY A 938 6.667 2.736 6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 938 6.955 0.369 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 938 7.578 -0.010 5.667 1.00 0.00 H new ATOM 650 N ARG A 939 8.705 2.714 7.079 1.00 0.00 N ATOM 651 CA ARG A 939 9.892 3.481 7.472 1.00 0.00 C ATOM 652 C ARG A 939 11.078 3.255 6.522 1.00 0.00 C ATOM 653 O ARG A 939 11.086 2.318 5.726 1.00 0.00 O ATOM 654 CB ARG A 939 10.287 3.161 8.918 1.00 0.00 C ATOM 655 CG ARG A 939 10.767 1.740 9.131 1.00 0.00 C ATOM 656 CD ARG A 939 11.133 1.497 10.584 1.00 0.00 C ATOM 657 NE ARG A 939 9.986 1.654 11.476 1.00 0.00 N ATOM 658 CZ ARG A 939 8.901 0.884 11.430 1.00 0.00 C ATOM 659 NH1 ARG A 939 8.819 -0.105 10.549 1.00 0.00 N ATOM 660 NH2 ARG A 939 7.898 1.101 12.270 1.00 0.00 N ATOM 0 H ARG A 939 7.845 3.263 7.085 1.00 0.00 H new ATOM 0 HA ARG A 939 9.627 4.536 7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 939 11.074 3.849 9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 939 9.430 3.344 9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 939 9.988 1.041 8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 939 11.633 1.547 8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 939 11.539 0.491 10.691 1.00 0.00 H new ATOM 0 HD3 ARG A 939 11.919 2.192 10.880 1.00 0.00 H new ATOM 0 HE ARG A 939 10.019 2.397 12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 939 9.589 -0.278 9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 939 7.986 -0.692 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 939 7.958 1.858 12.951 1.00 0.00 H new ATOM 0 HH22 ARG A 939 7.067 0.511 12.235 1.00 0.00 H new ATOM 674 N PRO A 940 12.100 4.129 6.581 1.00 0.00 N ATOM 675 CA PRO A 940 13.277 4.016 5.717 1.00 0.00 C ATOM 676 C PRO A 940 14.218 2.898 6.155 1.00 0.00 C ATOM 677 O PRO A 940 14.789 2.947 7.246 1.00 0.00 O ATOM 678 CB PRO A 940 13.953 5.377 5.870 1.00 0.00 C ATOM 679 CG PRO A 940 13.572 5.830 7.234 1.00 0.00 C ATOM 680 CD PRO A 940 12.188 5.292 7.484 1.00 0.00 C ATOM 0 HA PRO A 940 13.008 3.769 4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 940 15.035 5.297 5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 940 13.611 6.078 5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 940 14.275 5.457 7.979 1.00 0.00 H new ATOM 0 HG3 PRO A 940 13.585 6.918 7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 940 12.053 5.002 8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 940 11.422 6.034 7.258 1.00 0.00 H new ATOM 688 N PHE A 941 14.382 1.897 5.297 1.00 0.00 N ATOM 689 CA PHE A 941 15.262 0.773 5.595 1.00 0.00 C ATOM 690 C PHE A 941 16.643 0.989 4.985 1.00 0.00 C ATOM 691 O PHE A 941 17.022 2.119 4.668 1.00 0.00 O ATOM 692 CB PHE A 941 14.644 -0.535 5.088 1.00 0.00 C ATOM 693 CG PHE A 941 14.299 -0.525 3.625 1.00 0.00 C ATOM 694 CD1 PHE A 941 15.290 -0.609 2.659 1.00 0.00 C ATOM 695 CD2 PHE A 941 12.977 -0.448 3.218 1.00 0.00 C ATOM 696 CE1 PHE A 941 14.968 -0.612 1.315 1.00 0.00 C ATOM 697 CE2 PHE A 941 12.650 -0.452 1.876 1.00 0.00 C ATOM 698 CZ PHE A 941 13.646 -0.533 0.924 1.00 0.00 C ATOM 0 H PHE A 941 13.918 1.841 4.391 1.00 0.00 H new ATOM 0 HA PHE A 941 15.379 0.705 6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 941 15.340 -1.352 5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.741 -0.744 5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 941 16.325 -0.673 2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 941 12.193 -0.384 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 941 15.749 -0.676 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 941 11.615 -0.392 1.572 1.00 0.00 H new ATOM 0 HZ PHE A 941 13.392 -0.535 -0.126 1.00 0.00 H new ATOM 708 N SER A 942 17.390 -0.098 4.819 1.00 0.00 N ATOM 709 CA SER A 942 18.729 -0.017 4.249 1.00 0.00 C ATOM 710 C SER A 942 19.310 -1.401 3.973 1.00 0.00 C ATOM 711 O SER A 942 19.203 -2.308 4.798 1.00 0.00 O ATOM 712 CB SER A 942 19.658 0.753 5.190 1.00 0.00 C ATOM 713 OG SER A 942 19.759 0.109 6.448 1.00 0.00 O ATOM 0 H SER A 942 17.092 -1.041 5.070 1.00 0.00 H new ATOM 0 HA SER A 942 18.649 0.512 3.299 1.00 0.00 H new ATOM 0 HB2 SER A 942 20.648 0.837 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 942 19.283 1.767 5.326 1.00 0.00 H new ATOM 0 HG SER A 942 20.360 0.620 7.030 1.00 0.00 H new ATOM 719 N ILE A 943 19.933 -1.544 2.806 1.00 0.00 N ATOM 720 CA ILE A 943 20.547 -2.804 2.406 1.00 0.00 C ATOM 721 C ILE A 943 22.042 -2.809 2.723 1.00 0.00 C ATOM 722 O ILE A 943 22.805 -1.994 2.203 1.00 0.00 O ATOM 723 CB ILE A 943 20.323 -3.080 0.907 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.479 -1.790 0.096 1.00 0.00 C ATOM 725 CG2 ILE A 943 18.950 -3.689 0.684 1.00 0.00 C ATOM 726 CD1 ILE A 943 20.246 -1.975 -1.389 1.00 0.00 C ATOM 0 H ILE A 943 20.025 -0.797 2.118 1.00 0.00 H new ATOM 0 HA ILE A 943 20.068 -3.598 2.978 1.00 0.00 H new ATOM 0 HB ILE A 943 21.076 -3.791 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 943 19.779 -1.046 0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.482 -1.392 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 943 18.805 -3.879 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 943 18.874 -4.627 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 943 18.184 -2.999 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 943 20.373 -1.020 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 943 20.963 -2.695 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 943 19.234 -2.343 -1.555 1.00 0.00 H new ATOM 738 N THR A 944 22.439 -3.722 3.603 1.00 0.00 N ATOM 739 CA THR A 944 23.826 -3.849 4.038 1.00 0.00 C ATOM 740 C THR A 944 24.688 -4.691 3.097 1.00 0.00 C ATOM 741 O THR A 944 24.380 -5.856 2.847 1.00 0.00 O ATOM 742 CB THR A 944 23.881 -4.486 5.443 1.00 0.00 C ATOM 743 OG1 THR A 944 23.560 -3.512 6.442 1.00 0.00 O ATOM 744 CG2 THR A 944 25.246 -5.096 5.729 1.00 0.00 C ATOM 0 H THR A 944 21.807 -4.396 4.036 1.00 0.00 H new ATOM 0 HA THR A 944 24.231 -2.837 4.042 1.00 0.00 H new ATOM 0 HB THR A 944 23.143 -5.288 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 944 23.722 -2.613 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 944 25.247 -5.535 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 944 25.460 -5.870 4.992 1.00 0.00 H new ATOM 0 HG23 THR A 944 26.010 -4.321 5.673 1.00 0.00 H new ATOM 752 N CYS A 945 25.816 -4.135 2.644 1.00 0.00 N ATOM 753 CA CYS A 945 26.737 -4.909 1.820 1.00 0.00 C ATOM 754 C CYS A 945 27.433 -5.894 2.745 1.00 0.00 C ATOM 755 O CYS A 945 28.101 -5.498 3.700 1.00 0.00 O ATOM 756 CB CYS A 945 27.752 -4.017 1.105 1.00 0.00 C ATOM 757 SG CYS A 945 27.018 -2.943 -0.171 1.00 0.00 S ATOM 0 H CYS A 945 26.105 -3.175 2.830 1.00 0.00 H new ATOM 0 HA CYS A 945 26.191 -5.429 1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 945 28.258 -3.395 1.843 1.00 0.00 H new ATOM 0 HB3 CYS A 945 28.513 -4.646 0.643 1.00 0.00 H new ATOM 762 N LEU A 946 27.189 -7.170 2.521 1.00 0.00 N ATOM 763 CA LEU A 946 27.708 -8.205 3.401 1.00 0.00 C ATOM 764 C LEU A 946 29.136 -8.646 3.138 1.00 0.00 C ATOM 765 O LEU A 946 29.979 -8.543 4.031 1.00 0.00 O ATOM 766 CB LEU A 946 26.734 -9.368 3.382 1.00 0.00 C ATOM 767 CG LEU A 946 25.363 -8.949 3.900 1.00 0.00 C ATOM 768 CD1 LEU A 946 24.347 -10.067 3.800 1.00 0.00 C ATOM 769 CD2 LEU A 946 25.504 -8.458 5.326 1.00 0.00 C ATOM 0 H LEU A 946 26.635 -7.518 1.738 1.00 0.00 H new ATOM 0 HA LEU A 946 27.781 -7.770 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 946 26.640 -9.750 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 946 27.123 -10.182 3.994 1.00 0.00 H new ATOM 0 HG LEU A 946 24.986 -8.141 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 946 23.386 -9.721 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 946 24.237 -10.367 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 946 24.685 -10.919 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 946 24.528 -8.156 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 946 25.903 -9.259 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 946 26.183 -7.606 5.352 1.00 0.00 H new ATOM 781 N ASP A 947 29.416 -9.155 1.950 1.00 0.00 N ATOM 782 CA ASP A 947 30.765 -9.632 1.647 1.00 0.00 C ATOM 783 C ASP A 947 30.829 -10.334 0.295 1.00 0.00 C ATOM 784 O ASP A 947 31.812 -10.201 -0.433 1.00 0.00 O ATOM 785 CB ASP A 947 31.219 -10.595 2.751 1.00 0.00 C ATOM 786 CG ASP A 947 32.598 -11.183 2.507 1.00 0.00 C ATOM 787 OD1 ASP A 947 33.266 -10.763 1.540 1.00 0.00 O ATOM 788 OD2 ASP A 947 33.014 -12.058 3.295 1.00 0.00 O ATOM 0 H ASP A 947 28.744 -9.250 1.188 1.00 0.00 H new ATOM 0 HA ASP A 947 31.428 -8.768 1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 947 31.220 -10.068 3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 947 30.496 -11.406 2.836 1.00 0.00 H new ATOM 793 N ASN A 948 29.786 -11.081 -0.043 1.00 0.00 N ATOM 794 CA ASN A 948 29.760 -11.793 -1.313 1.00 0.00 C ATOM 795 C ASN A 948 29.331 -10.858 -2.434 1.00 0.00 C ATOM 796 O ASN A 948 28.772 -11.291 -3.442 1.00 0.00 O ATOM 797 CB ASN A 948 28.807 -12.987 -1.233 1.00 0.00 C ATOM 798 CG ASN A 948 29.217 -13.984 -0.167 1.00 0.00 C ATOM 799 OD1 ASN A 948 30.310 -14.548 -0.215 1.00 0.00 O ATOM 800 ND2 ASN A 948 28.339 -14.204 0.805 1.00 0.00 N ATOM 0 H ASN A 948 28.957 -11.209 0.537 1.00 0.00 H new ATOM 0 HA ASN A 948 30.765 -12.159 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 948 27.799 -12.630 -1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 948 28.774 -13.487 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 948 28.559 -14.863 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 948 27.444 -13.714 0.805 1.00 0.00 H new ATOM 807 N LEU A 949 29.593 -9.565 -2.241 1.00 0.00 N ATOM 808 CA LEU A 949 29.231 -8.555 -3.221 1.00 0.00 C ATOM 809 C LEU A 949 27.734 -8.564 -3.393 1.00 0.00 C ATOM 810 O LEU A 949 27.207 -8.462 -4.501 1.00 0.00 O ATOM 811 CB LEU A 949 29.942 -8.813 -4.552 1.00 0.00 C ATOM 812 CG LEU A 949 31.428 -8.440 -4.576 1.00 0.00 C ATOM 813 CD1 LEU A 949 32.172 -9.107 -3.432 1.00 0.00 C ATOM 814 CD2 LEU A 949 32.054 -8.815 -5.909 1.00 0.00 C ATOM 0 H LEU A 949 30.056 -9.197 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 949 29.547 -7.572 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 949 29.844 -9.870 -4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 949 29.430 -8.253 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 949 31.507 -7.360 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 949 33.225 -8.827 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 949 31.745 -8.784 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 949 32.081 -10.190 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 949 33.109 -8.542 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 949 31.958 -9.889 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 949 31.544 -8.283 -6.713 1.00 0.00 H new ATOM 826 N VAL A 950 27.059 -8.713 -2.265 1.00 0.00 N ATOM 827 CA VAL A 950 25.621 -8.772 -2.239 1.00 0.00 C ATOM 828 C VAL A 950 25.056 -7.939 -1.109 1.00 0.00 C ATOM 829 O VAL A 950 25.694 -7.727 -0.078 1.00 0.00 O ATOM 830 CB VAL A 950 25.142 -10.209 -2.071 1.00 0.00 C ATOM 831 CG1 VAL A 950 25.709 -10.790 -0.792 1.00 0.00 C ATOM 832 CG2 VAL A 950 23.632 -10.276 -2.070 1.00 0.00 C ATOM 0 H VAL A 950 27.498 -8.796 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 950 25.268 -8.374 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 950 25.498 -10.800 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 950 25.364 -11.817 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 950 26.798 -10.775 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 950 25.373 -10.196 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 950 23.314 -11.311 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 950 23.242 -9.678 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 950 23.250 -9.887 -3.014 1.00 0.00 H new ATOM 842 N TRP A 951 23.848 -7.483 -1.328 1.00 0.00 N ATOM 843 CA TRP A 951 23.135 -6.671 -0.355 1.00 0.00 C ATOM 844 C TRP A 951 22.249 -7.536 0.529 1.00 0.00 C ATOM 845 O TRP A 951 21.634 -8.490 0.054 1.00 0.00 O ATOM 846 CB TRP A 951 22.314 -5.605 -1.074 1.00 0.00 C ATOM 847 CG TRP A 951 23.162 -4.758 -1.974 1.00 0.00 C ATOM 848 CD1 TRP A 951 23.666 -5.108 -3.193 1.00 0.00 C ATOM 849 CD2 TRP A 951 23.640 -3.437 -1.708 1.00 0.00 C ATOM 850 NE1 TRP A 951 24.415 -4.080 -3.707 1.00 0.00 N ATOM 851 CE2 TRP A 951 24.415 -3.042 -2.813 1.00 0.00 C ATOM 852 CE3 TRP A 951 23.481 -2.549 -0.646 1.00 0.00 C ATOM 853 CZ2 TRP A 951 25.032 -1.796 -2.882 1.00 0.00 C ATOM 854 CZ3 TRP A 951 24.090 -1.312 -0.713 1.00 0.00 C ATOM 855 CH2 TRP A 951 24.858 -0.944 -1.825 1.00 0.00 C ATOM 0 H TRP A 951 23.324 -7.661 -2.185 1.00 0.00 H new ATOM 0 HA TRP A 951 23.862 -6.177 0.290 1.00 0.00 H new ATOM 0 HB2 TRP A 951 21.530 -6.085 -1.660 1.00 0.00 H new ATOM 0 HB3 TRP A 951 21.819 -4.971 -0.339 1.00 0.00 H new ATOM 0 HD1 TRP A 951 23.499 -6.056 -3.682 1.00 0.00 H new ATOM 0 HE1 TRP A 951 24.894 -4.087 -4.608 1.00 0.00 H new ATOM 0 HE3 TRP A 951 22.891 -2.824 0.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 25.626 -1.512 -3.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 23.972 -0.617 0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.322 0.031 -1.849 1.00 0.00 H new ATOM 866 N SER A 952 22.182 -7.197 1.814 1.00 0.00 N ATOM 867 CA SER A 952 21.358 -7.947 2.752 1.00 0.00 C ATOM 868 C SER A 952 19.972 -8.152 2.162 1.00 0.00 C ATOM 869 O SER A 952 19.435 -7.260 1.506 1.00 0.00 O ATOM 870 CB SER A 952 21.257 -7.211 4.090 1.00 0.00 C ATOM 871 OG SER A 952 20.638 -5.947 3.930 1.00 0.00 O ATOM 0 H SER A 952 22.686 -6.412 2.226 1.00 0.00 H new ATOM 0 HA SER A 952 21.822 -8.917 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 952 20.686 -7.812 4.797 1.00 0.00 H new ATOM 0 HB3 SER A 952 22.253 -7.081 4.513 1.00 0.00 H new ATOM 0 HG SER A 952 20.439 -5.566 4.811 1.00 0.00 H new ATOM 877 N SER A 953 19.401 -9.330 2.375 1.00 0.00 N ATOM 878 CA SER A 953 18.091 -9.636 1.836 1.00 0.00 C ATOM 879 C SER A 953 16.985 -9.011 2.676 1.00 0.00 C ATOM 880 O SER A 953 16.715 -9.450 3.794 1.00 0.00 O ATOM 881 CB SER A 953 17.899 -11.143 1.772 1.00 0.00 C ATOM 882 OG SER A 953 18.091 -11.738 3.044 1.00 0.00 O ATOM 0 H SER A 953 19.825 -10.084 2.915 1.00 0.00 H new ATOM 0 HA SER A 953 18.032 -9.215 0.832 1.00 0.00 H new ATOM 0 HB2 SER A 953 16.896 -11.370 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 953 18.601 -11.572 1.057 1.00 0.00 H new ATOM 0 HG SER A 953 17.707 -11.160 3.737 1.00 0.00 H new ATOM 888 N PRO A 954 16.326 -7.972 2.139 1.00 0.00 N ATOM 889 CA PRO A 954 15.240 -7.277 2.825 1.00 0.00 C ATOM 890 C PRO A 954 13.943 -8.076 2.795 1.00 0.00 C ATOM 891 O PRO A 954 13.504 -8.524 1.736 1.00 0.00 O ATOM 892 CB PRO A 954 15.077 -5.971 2.028 1.00 0.00 C ATOM 893 CG PRO A 954 16.193 -5.954 1.033 1.00 0.00 C ATOM 894 CD PRO A 954 16.580 -7.385 0.819 1.00 0.00 C ATOM 0 HA PRO A 954 15.464 -7.118 3.880 1.00 0.00 H new ATOM 0 HB2 PRO A 954 14.109 -5.937 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 954 15.127 -5.103 2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 954 15.875 -5.492 0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 954 17.037 -5.373 1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 954 15.981 -7.857 0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 954 17.624 -7.485 0.522 1.00 0.00 H new ATOM 902 N LYS A 955 13.330 -8.244 3.960 1.00 0.00 N ATOM 903 CA LYS A 955 12.077 -8.981 4.063 1.00 0.00 C ATOM 904 C LYS A 955 10.904 -8.095 3.666 1.00 0.00 C ATOM 905 O LYS A 955 11.023 -7.247 2.781 1.00 0.00 O ATOM 906 CB LYS A 955 11.893 -9.504 5.489 1.00 0.00 C ATOM 907 CG LYS A 955 11.904 -8.410 6.546 1.00 0.00 C ATOM 908 CD LYS A 955 11.719 -8.971 7.951 1.00 0.00 C ATOM 909 CE LYS A 955 10.323 -9.540 8.163 1.00 0.00 C ATOM 910 NZ LYS A 955 10.073 -10.751 7.333 1.00 0.00 N ATOM 0 H LYS A 955 13.680 -7.880 4.846 1.00 0.00 H new ATOM 0 HA LYS A 955 12.112 -9.829 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 955 10.949 -10.046 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 955 12.686 -10.219 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 955 12.847 -7.866 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 955 11.110 -7.694 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 955 12.459 -9.752 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 955 11.904 -8.184 8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 955 10.191 -9.790 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 955 9.582 -8.778 7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 9.512 -11.436 7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 9.551 -10.482 6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 10.981 -11.182 7.066 1.00 0.00 H new ATOM 924 N ASP A 956 9.776 -8.293 4.329 1.00 0.00 N ATOM 925 CA ASP A 956 8.578 -7.510 4.058 1.00 0.00 C ATOM 926 C ASP A 956 8.656 -6.159 4.762 1.00 0.00 C ATOM 927 O ASP A 956 7.831 -5.842 5.619 1.00 0.00 O ATOM 928 CB ASP A 956 7.330 -8.269 4.514 1.00 0.00 C ATOM 929 CG ASP A 956 7.148 -9.584 3.778 1.00 0.00 C ATOM 930 OD1 ASP A 956 7.987 -9.900 2.909 1.00 0.00 O ATOM 931 OD2 ASP A 956 6.164 -10.296 4.072 1.00 0.00 O ATOM 0 H ASP A 956 9.663 -8.993 5.063 1.00 0.00 H new ATOM 0 HA ASP A 956 8.512 -7.342 2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 956 7.397 -8.462 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 956 6.451 -7.644 4.357 1.00 0.00 H new ATOM 936 N VAL A 957 9.667 -5.372 4.402 1.00 0.00 N ATOM 937 CA VAL A 957 9.867 -4.060 5.005 1.00 0.00 C ATOM 938 C VAL A 957 8.954 -3.011 4.381 1.00 0.00 C ATOM 939 O VAL A 957 8.183 -2.351 5.078 1.00 0.00 O ATOM 940 CB VAL A 957 11.338 -3.603 4.870 1.00 0.00 C ATOM 941 CG1 VAL A 957 12.257 -4.495 5.688 1.00 0.00 C ATOM 942 CG2 VAL A 957 11.769 -3.591 3.411 1.00 0.00 C ATOM 0 H VAL A 957 10.359 -5.621 3.696 1.00 0.00 H new ATOM 0 HA VAL A 957 9.617 -4.157 6.062 1.00 0.00 H new ATOM 0 HB VAL A 957 11.412 -2.587 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 957 13.287 -4.155 5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 957 11.970 -4.448 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 957 12.175 -5.523 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 957 12.807 -3.266 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 957 11.674 -4.594 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 957 11.135 -2.904 2.850 1.00 0.00 H new ATOM 952 N CYS A 958 9.046 -2.863 3.068 1.00 0.00 N ATOM 953 CA CYS A 958 8.229 -1.896 2.348 1.00 0.00 C ATOM 954 C CYS A 958 6.916 -2.534 1.905 1.00 0.00 C ATOM 955 O CYS A 958 6.904 -3.655 1.400 1.00 0.00 O ATOM 956 CB CYS A 958 8.993 -1.354 1.137 1.00 0.00 C ATOM 957 SG CYS A 958 8.359 0.232 0.505 1.00 0.00 S ATOM 0 H CYS A 958 9.680 -3.401 2.477 1.00 0.00 H new ATOM 0 HA CYS A 958 8.002 -1.066 3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 958 10.042 -1.232 1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 958 8.955 -2.093 0.337 1.00 0.00 H new ATOM 962 N LYS A 959 5.814 -1.817 2.104 1.00 0.00 N ATOM 963 CA LYS A 959 4.496 -2.322 1.731 1.00 0.00 C ATOM 964 C LYS A 959 3.558 -1.175 1.364 1.00 0.00 C ATOM 965 O LYS A 959 3.440 -0.199 2.100 1.00 0.00 O ATOM 966 CB LYS A 959 3.907 -3.143 2.879 1.00 0.00 C ATOM 967 CG LYS A 959 4.633 -4.459 3.115 1.00 0.00 C ATOM 968 CD LYS A 959 4.262 -5.077 4.454 1.00 0.00 C ATOM 969 CE LYS A 959 4.804 -4.254 5.612 1.00 0.00 C ATOM 970 NZ LYS A 959 4.455 -4.853 6.930 1.00 0.00 N ATOM 0 H LYS A 959 5.807 -0.886 2.521 1.00 0.00 H new ATOM 0 HA LYS A 959 4.607 -2.962 0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 959 3.938 -2.550 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 959 2.858 -3.348 2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 959 4.391 -5.157 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 959 5.709 -4.292 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 959 3.178 -5.152 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 959 4.656 -6.092 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 959 5.888 -4.174 5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 959 4.404 -3.241 5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 4.843 -4.262 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 3.421 -4.906 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 4.858 -5.810 6.994 1.00 0.00 H new ATOM 984 N ARG A 960 2.906 -1.301 0.214 1.00 0.00 N ATOM 985 CA ARG A 960 1.990 -0.274 -0.272 1.00 0.00 C ATOM 986 C ARG A 960 0.922 0.076 0.762 1.00 0.00 C ATOM 987 O ARG A 960 0.423 -0.792 1.479 1.00 0.00 O ATOM 988 CB ARG A 960 1.324 -0.729 -1.571 1.00 0.00 C ATOM 989 CG ARG A 960 0.357 0.294 -2.143 1.00 0.00 C ATOM 990 CD ARG A 960 -0.249 -0.183 -3.450 1.00 0.00 C ATOM 991 NE ARG A 960 0.766 -0.386 -4.481 1.00 0.00 N ATOM 992 CZ ARG A 960 0.493 -0.810 -5.712 1.00 0.00 C ATOM 993 NH1 ARG A 960 -0.758 -1.074 -6.064 1.00 0.00 N ATOM 994 NH2 ARG A 960 1.472 -0.970 -6.591 1.00 0.00 N ATOM 0 H ARG A 960 2.995 -2.109 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 960 2.580 0.624 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 960 2.095 -0.942 -2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 960 0.790 -1.662 -1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 960 -0.437 0.488 -1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 960 0.878 1.238 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -0.786 -1.116 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 960 -0.979 0.547 -3.799 1.00 0.00 H new ATOM 0 HE ARG A 960 1.739 -0.192 -4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -1.514 -0.952 -5.390 1.00 0.00 H new ATOM 0 HH12 ARG A 960 -0.964 -1.399 -7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 960 2.435 -0.768 -6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 960 1.262 -1.295 -7.535 1.00 0.00 H new ATOM 1008 N LYS A 961 0.580 1.361 0.818 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.430 1.860 1.746 1.00 0.00 C ATOM 1010 C LYS A 961 -1.742 1.100 1.592 1.00 0.00 C ATOM 1011 O LYS A 961 -2.084 0.638 0.501 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.670 3.353 1.510 1.00 0.00 C ATOM 1013 CG LYS A 961 0.515 4.235 1.874 1.00 0.00 C ATOM 1014 CD LYS A 961 0.783 4.230 3.372 1.00 0.00 C ATOM 1015 CE LYS A 961 -0.406 4.759 4.158 1.00 0.00 C ATOM 1016 NZ LYS A 961 -0.751 6.155 3.774 1.00 0.00 N ATOM 0 H LYS A 961 0.993 2.081 0.225 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.060 1.706 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 961 -0.917 3.509 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -1.536 3.668 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 961 1.403 3.888 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 961 0.324 5.256 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 961 1.012 3.215 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 961 1.661 4.839 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 961 -1.268 4.113 3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 961 -0.182 4.721 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 -1.037 6.687 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 0.078 6.611 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 -1.535 6.143 3.091 1.00 0.00 H new ATOM 1030 N SER A 962 -2.478 0.981 2.694 1.00 0.00 N ATOM 1031 CA SER A 962 -3.755 0.282 2.686 1.00 0.00 C ATOM 1032 C SER A 962 -4.765 0.973 3.592 1.00 0.00 C ATOM 1033 O SER A 962 -4.471 1.298 4.743 1.00 0.00 O ATOM 1034 CB SER A 962 -3.574 -1.170 3.134 1.00 0.00 C ATOM 1035 OG SER A 962 -2.974 -1.238 4.416 1.00 0.00 O ATOM 0 H SER A 962 -2.210 1.360 3.602 1.00 0.00 H new ATOM 0 HA SER A 962 -4.135 0.299 1.664 1.00 0.00 H new ATOM 0 HB2 SER A 962 -4.542 -1.670 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 962 -2.956 -1.702 2.411 1.00 0.00 H new ATOM 0 HG SER A 962 -2.871 -2.176 4.680 1.00 0.00 H new ATOM 1041 N CYS A 963 -5.958 1.188 3.056 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.036 1.832 3.790 1.00 0.00 C ATOM 1043 C CYS A 963 -7.745 0.829 4.694 1.00 0.00 C ATOM 1044 O CYS A 963 -7.855 -0.351 4.361 1.00 0.00 O ATOM 1045 CB CYS A 963 -8.024 2.452 2.804 1.00 0.00 C ATOM 1046 SG CYS A 963 -8.446 1.351 1.418 1.00 0.00 S ATOM 0 H CYS A 963 -6.205 0.922 2.103 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.617 2.617 4.420 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.937 2.721 3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -7.601 3.376 2.409 1.00 0.00 H new ATOM 1051 N LYS A 964 -8.219 1.302 5.843 1.00 0.00 N ATOM 1052 CA LYS A 964 -8.909 0.440 6.795 1.00 0.00 C ATOM 1053 C LYS A 964 -10.233 -0.038 6.204 1.00 0.00 C ATOM 1054 O LYS A 964 -10.992 0.751 5.640 1.00 0.00 O ATOM 1055 CB LYS A 964 -9.143 1.197 8.109 1.00 0.00 C ATOM 1056 CG LYS A 964 -9.427 0.303 9.311 1.00 0.00 C ATOM 1057 CD LYS A 964 -10.789 -0.365 9.221 1.00 0.00 C ATOM 1058 CE LYS A 964 -11.058 -1.247 10.430 1.00 0.00 C ATOM 1059 NZ LYS A 964 -11.035 -0.471 11.700 1.00 0.00 N ATOM 0 H LYS A 964 -8.138 2.276 6.136 1.00 0.00 H new ATOM 0 HA LYS A 964 -8.291 -0.433 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -8.265 1.806 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -9.981 1.882 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -8.653 -0.461 9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -9.375 0.897 10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -11.565 0.397 9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -10.842 -0.965 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -12.028 -1.731 10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -10.310 -2.039 10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -11.449 -1.043 12.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -10.053 -0.230 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -11.587 0.403 11.583 1.00 0.00 H new ATOM 1073 N THR A 965 -10.495 -1.338 6.327 1.00 0.00 N ATOM 1074 CA THR A 965 -11.719 -1.930 5.795 1.00 0.00 C ATOM 1075 C THR A 965 -12.958 -1.191 6.298 1.00 0.00 C ATOM 1076 O THR A 965 -13.105 -0.950 7.495 1.00 0.00 O ATOM 1077 CB THR A 965 -11.831 -3.420 6.174 1.00 0.00 C ATOM 1078 OG1 THR A 965 -10.658 -4.124 5.749 1.00 0.00 O ATOM 1079 CG2 THR A 965 -13.060 -4.051 5.535 1.00 0.00 C ATOM 0 H THR A 965 -9.875 -2.001 6.791 1.00 0.00 H new ATOM 0 HA THR A 965 -11.667 -1.841 4.710 1.00 0.00 H new ATOM 0 HB THR A 965 -11.926 -3.488 7.258 1.00 0.00 H new ATOM 0 HG1 THR A 965 -10.737 -5.069 5.995 1.00 0.00 H new ATOM 0 HG21 THR A 965 -13.117 -5.102 5.817 1.00 0.00 H new ATOM 0 HG22 THR A 965 -13.955 -3.533 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 965 -12.988 -3.970 4.450 1.00 0.00 H new ATOM 1087 N PRO A 966 -13.871 -0.825 5.381 1.00 0.00 N ATOM 1088 CA PRO A 966 -15.104 -0.113 5.730 1.00 0.00 C ATOM 1089 C PRO A 966 -16.096 -1.000 6.472 1.00 0.00 C ATOM 1090 O PRO A 966 -16.322 -2.147 6.085 1.00 0.00 O ATOM 1091 CB PRO A 966 -15.676 0.289 4.370 1.00 0.00 C ATOM 1092 CG PRO A 966 -15.152 -0.738 3.433 1.00 0.00 C ATOM 1093 CD PRO A 966 -13.777 -1.080 3.932 1.00 0.00 C ATOM 0 HA PRO A 966 -14.912 0.727 6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -16.766 0.296 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -15.354 1.290 4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -15.794 -1.619 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -15.114 -0.355 2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -13.519 -2.118 3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -13.013 -0.460 3.463 1.00 0.00 H new ATOM 1101 N PRO A 967 -16.718 -0.479 7.544 1.00 0.00 N ATOM 1102 CA PRO A 967 -17.700 -1.238 8.320 1.00 0.00 C ATOM 1103 C PRO A 967 -18.851 -1.712 7.443 1.00 0.00 C ATOM 1104 O PRO A 967 -19.376 -0.949 6.631 1.00 0.00 O ATOM 1105 CB PRO A 967 -18.200 -0.231 9.362 1.00 0.00 C ATOM 1106 CG PRO A 967 -17.130 0.802 9.446 1.00 0.00 C ATOM 1107 CD PRO A 967 -16.525 0.882 8.073 1.00 0.00 C ATOM 0 HA PRO A 967 -17.272 -2.137 8.764 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -19.151 0.209 9.061 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -18.362 -0.710 10.327 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -17.540 1.765 9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -16.380 0.528 10.188 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -17.024 1.629 7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -15.470 1.154 8.112 1.00 0.00 H new ATOM 1115 N ASP A 968 -19.234 -2.975 7.596 1.00 0.00 N ATOM 1116 CA ASP A 968 -20.316 -3.537 6.800 1.00 0.00 C ATOM 1117 C ASP A 968 -21.602 -2.732 6.976 1.00 0.00 C ATOM 1118 O ASP A 968 -22.097 -2.568 8.091 1.00 0.00 O ATOM 1119 CB ASP A 968 -20.554 -5.004 7.179 1.00 0.00 C ATOM 1120 CG ASP A 968 -20.797 -5.199 8.664 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -20.718 -4.206 9.419 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -21.059 -6.349 9.074 1.00 0.00 O ATOM 0 H ASP A 968 -18.813 -3.625 8.260 1.00 0.00 H new ATOM 0 HA ASP A 968 -20.023 -3.487 5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -21.412 -5.383 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -19.691 -5.597 6.876 1.00 0.00 H new ATOM 1127 N PRO A 969 -22.163 -2.215 5.867 1.00 0.00 N ATOM 1128 CA PRO A 969 -23.396 -1.426 5.901 1.00 0.00 C ATOM 1129 C PRO A 969 -24.604 -2.268 6.280 1.00 0.00 C ATOM 1130 O PRO A 969 -24.707 -3.431 5.892 1.00 0.00 O ATOM 1131 CB PRO A 969 -23.532 -0.903 4.469 1.00 0.00 C ATOM 1132 CG PRO A 969 -22.777 -1.879 3.637 1.00 0.00 C ATOM 1133 CD PRO A 969 -21.641 -2.363 4.495 1.00 0.00 C ATOM 0 HA PRO A 969 -23.353 -0.634 6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -24.577 -0.849 4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -23.120 0.101 4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -23.416 -2.708 3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -22.406 -1.410 2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -21.382 -3.398 4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -20.740 -1.769 4.341 1.00 0.00 H new ATOM 1141 N VAL A 970 -25.513 -1.672 7.041 1.00 0.00 N ATOM 1142 CA VAL A 970 -26.711 -2.354 7.480 1.00 0.00 C ATOM 1143 C VAL A 970 -27.409 -3.038 6.309 1.00 0.00 C ATOM 1144 O VAL A 970 -27.651 -2.419 5.274 1.00 0.00 O ATOM 1145 CB VAL A 970 -27.682 -1.361 8.137 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -28.845 -2.098 8.758 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -26.959 -0.512 9.173 1.00 0.00 C ATOM 0 H VAL A 970 -25.436 -0.708 7.366 1.00 0.00 H new ATOM 0 HA VAL A 970 -26.415 -3.110 8.207 1.00 0.00 H new ATOM 0 HB VAL A 970 -28.072 -0.694 7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -29.525 -1.382 9.220 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -29.375 -2.657 7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -28.475 -2.788 9.516 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -27.663 0.185 9.627 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -26.539 -1.158 9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -26.156 0.046 8.690 1.00 0.00 H new ATOM 1157 N ASN A 971 -27.721 -4.319 6.479 1.00 0.00 N ATOM 1158 CA ASN A 971 -28.385 -5.093 5.436 1.00 0.00 C ATOM 1159 C ASN A 971 -27.560 -5.102 4.151 1.00 0.00 C ATOM 1160 O ASN A 971 -28.092 -4.901 3.058 1.00 0.00 O ATOM 1161 CB ASN A 971 -29.781 -4.529 5.161 1.00 0.00 C ATOM 1162 CG ASN A 971 -30.672 -4.561 6.388 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -31.133 -3.391 6.816 1.00 0.00 O flip ATOM 1164 ND2 ASN A 971 -30.940 -5.624 6.946 1.00 0.00 N flip ATOM 0 H ASN A 971 -27.524 -4.844 7.331 1.00 0.00 H new ATOM 0 HA ASN A 971 -28.481 -6.120 5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -29.691 -3.502 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -30.250 -5.102 4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -30.564 -6.500 6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -31.538 -5.630 7.772 1.00 0.00 H new ATOM 1171 N GLY A 972 -26.258 -5.339 4.289 1.00 0.00 N ATOM 1172 CA GLY A 972 -25.379 -5.376 3.132 1.00 0.00 C ATOM 1173 C GLY A 972 -23.964 -5.790 3.490 1.00 0.00 C ATOM 1174 O GLY A 972 -23.718 -6.285 4.590 1.00 0.00 O ATOM 0 H GLY A 972 -25.795 -5.506 5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -25.782 -6.071 2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -25.359 -4.392 2.664 1.00 0.00 H new ATOM 1178 N MET A 973 -23.032 -5.591 2.558 1.00 0.00 N ATOM 1179 CA MET A 973 -21.632 -5.951 2.780 1.00 0.00 C ATOM 1180 C MET A 973 -20.771 -5.595 1.570 1.00 0.00 C ATOM 1181 O MET A 973 -21.229 -5.664 0.425 1.00 0.00 O ATOM 1182 CB MET A 973 -21.498 -7.450 3.081 1.00 0.00 C ATOM 1183 CG MET A 973 -21.866 -8.353 1.911 1.00 0.00 C ATOM 1184 SD MET A 973 -23.622 -8.301 1.501 1.00 0.00 S ATOM 1185 CE MET A 973 -24.340 -8.981 2.994 1.00 0.00 C ATOM 0 H MET A 973 -23.221 -5.183 1.643 1.00 0.00 H new ATOM 0 HA MET A 973 -21.280 -5.380 3.639 1.00 0.00 H new ATOM 0 HB2 MET A 973 -20.471 -7.660 3.379 1.00 0.00 H new ATOM 0 HB3 MET A 973 -22.133 -7.697 3.931 1.00 0.00 H new ATOM 0 HG2 MET A 973 -21.286 -8.059 1.036 1.00 0.00 H new ATOM 0 HG3 MET A 973 -21.585 -9.379 2.149 1.00 0.00 H new ATOM 0 HE1 MET A 973 -24.943 -9.854 2.743 1.00 0.00 H new ATOM 0 HE2 MET A 973 -23.545 -9.274 3.679 1.00 0.00 H new ATOM 0 HE3 MET A 973 -24.970 -8.230 3.470 1.00 0.00 H new ATOM 1195 N VAL A 974 -19.519 -5.218 1.829 1.00 0.00 N ATOM 1196 CA VAL A 974 -18.592 -4.862 0.759 1.00 0.00 C ATOM 1197 C VAL A 974 -17.673 -6.034 0.425 1.00 0.00 C ATOM 1198 O VAL A 974 -17.113 -6.669 1.321 1.00 0.00 O ATOM 1199 CB VAL A 974 -17.728 -3.634 1.126 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -16.726 -3.970 2.226 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -17.000 -3.118 -0.103 1.00 0.00 C ATOM 0 H VAL A 974 -19.126 -5.152 2.768 1.00 0.00 H new ATOM 0 HA VAL A 974 -19.200 -4.611 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 974 -18.393 -2.856 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -16.134 -3.086 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -17.261 -4.296 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -16.066 -4.768 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -16.395 -2.253 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -16.355 -3.902 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -17.727 -2.828 -0.862 1.00 0.00 H new ATOM 1211 N HIS A 975 -17.513 -6.318 -0.863 1.00 0.00 N ATOM 1212 CA HIS A 975 -16.647 -7.410 -1.290 1.00 0.00 C ATOM 1213 C HIS A 975 -15.399 -6.870 -1.966 1.00 0.00 C ATOM 1214 O HIS A 975 -15.480 -6.236 -3.020 1.00 0.00 O ATOM 1215 CB HIS A 975 -17.360 -8.342 -2.273 1.00 0.00 C ATOM 1216 CG HIS A 975 -18.823 -8.079 -2.425 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -19.718 -8.143 -1.380 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -19.546 -7.756 -3.522 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -20.931 -7.871 -1.828 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -20.854 -7.631 -3.124 1.00 0.00 N ATOM 0 H HIS A 975 -17.967 -5.812 -1.623 1.00 0.00 H new ATOM 0 HA HIS A 975 -16.378 -7.969 -0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -16.884 -8.252 -3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -17.221 -9.372 -1.944 1.00 0.00 H new ATOM 0 HD1 HIS A 975 -19.482 -8.365 -0.413 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -19.165 -7.622 -4.524 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -21.833 -7.849 -1.234 1.00 0.00 H new ATOM 1229 N VAL A 976 -14.241 -7.149 -1.383 1.00 0.00 N ATOM 1230 CA VAL A 976 -12.997 -6.716 -1.970 1.00 0.00 C ATOM 1231 C VAL A 976 -12.696 -7.594 -3.177 1.00 0.00 C ATOM 1232 O VAL A 976 -12.796 -8.819 -3.101 1.00 0.00 O ATOM 1233 CB VAL A 976 -11.848 -6.777 -0.955 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -12.134 -5.864 0.229 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -11.626 -8.198 -0.494 1.00 0.00 C ATOM 0 H VAL A 976 -14.145 -7.670 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 976 -13.092 -5.676 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 976 -10.937 -6.429 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -11.309 -5.920 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -12.243 -4.838 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -13.055 -6.180 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -10.808 -8.223 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -12.535 -8.574 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -11.375 -8.824 -1.351 1.00 0.00 H new ATOM 1245 N ILE A 977 -12.368 -6.974 -4.301 1.00 0.00 N ATOM 1246 CA ILE A 977 -12.104 -7.729 -5.517 1.00 0.00 C ATOM 1247 C ILE A 977 -10.757 -8.432 -5.437 1.00 0.00 C ATOM 1248 O ILE A 977 -10.567 -9.503 -6.014 1.00 0.00 O ATOM 1249 CB ILE A 977 -12.138 -6.828 -6.765 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -13.173 -5.710 -6.600 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -12.464 -7.668 -7.988 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -14.593 -6.207 -6.420 1.00 0.00 C ATOM 0 H ILE A 977 -12.279 -5.962 -4.397 1.00 0.00 H new ATOM 0 HA ILE A 977 -12.895 -8.474 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 977 -11.159 -6.367 -6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -12.900 -5.101 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -13.134 -5.061 -7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -12.488 -7.030 -8.872 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -11.701 -8.436 -8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -13.437 -8.141 -7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -15.265 -5.356 -6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -14.887 -6.791 -7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -14.650 -6.832 -5.529 1.00 0.00 H new ATOM 1264 N THR A 978 -9.834 -7.829 -4.702 1.00 0.00 N ATOM 1265 CA THR A 978 -8.504 -8.395 -4.519 1.00 0.00 C ATOM 1266 C THR A 978 -8.001 -8.098 -3.120 1.00 0.00 C ATOM 1267 O THR A 978 -7.618 -8.998 -2.375 1.00 0.00 O ATOM 1268 CB THR A 978 -7.493 -7.819 -5.527 1.00 0.00 C ATOM 1269 OG1 THR A 978 -7.363 -6.405 -5.337 1.00 0.00 O ATOM 1270 CG2 THR A 978 -7.927 -8.099 -6.953 1.00 0.00 C ATOM 0 H THR A 978 -9.982 -6.943 -4.220 1.00 0.00 H new ATOM 0 HA THR A 978 -8.589 -9.470 -4.679 1.00 0.00 H new ATOM 0 HB THR A 978 -6.531 -8.302 -5.355 1.00 0.00 H new ATOM 0 HG1 THR A 978 -6.717 -6.046 -5.981 1.00 0.00 H new ATOM 0 HG21 THR A 978 -7.195 -7.681 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 978 -7.998 -9.176 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 978 -8.900 -7.641 -7.134 1.00 0.00 H new ATOM 1278 N ASP A 979 -8.016 -6.817 -2.777 1.00 0.00 N ATOM 1279 CA ASP A 979 -7.570 -6.355 -1.475 1.00 0.00 C ATOM 1280 C ASP A 979 -8.172 -4.985 -1.169 1.00 0.00 C ATOM 1281 O ASP A 979 -9.322 -4.719 -1.520 1.00 0.00 O ATOM 1282 CB ASP A 979 -6.043 -6.279 -1.448 1.00 0.00 C ATOM 1283 CG ASP A 979 -5.380 -7.636 -1.578 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -5.607 -8.494 -0.701 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -4.633 -7.840 -2.559 1.00 0.00 O ATOM 0 H ASP A 979 -8.338 -6.072 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 979 -7.903 -7.060 -0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -5.702 -5.635 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -5.724 -5.813 -0.516 1.00 0.00 H new ATOM 1290 N ILE A 980 -7.391 -4.112 -0.531 1.00 0.00 N ATOM 1291 CA ILE A 980 -7.864 -2.769 -0.205 1.00 0.00 C ATOM 1292 C ILE A 980 -6.718 -1.762 -0.155 1.00 0.00 C ATOM 1293 O ILE A 980 -6.722 -0.847 0.668 1.00 0.00 O ATOM 1294 CB ILE A 980 -8.630 -2.734 1.134 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -7.835 -3.440 2.234 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -10.007 -3.358 0.979 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -8.548 -3.463 3.570 1.00 0.00 C ATOM 0 H ILE A 980 -6.436 -4.310 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 980 -8.548 -2.489 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 980 -8.758 -1.692 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -7.629 -4.464 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -6.872 -2.943 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -10.532 -3.324 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -10.576 -2.804 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -9.903 -4.395 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -7.929 -3.978 4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -8.731 -2.441 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -9.499 -3.986 3.466 1.00 0.00 H new ATOM 1309 N GLN A 981 -5.753 -1.919 -1.056 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.622 -1.000 -1.128 1.00 0.00 C ATOM 1311 C GLN A 981 -5.042 0.299 -1.804 1.00 0.00 C ATOM 1312 O GLN A 981 -6.169 0.413 -2.281 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.454 -1.635 -1.889 1.00 0.00 C ATOM 1314 CG GLN A 981 -2.522 -2.457 -1.013 1.00 0.00 C ATOM 1315 CD GLN A 981 -3.247 -3.510 -0.202 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -3.925 -4.377 -0.752 1.00 0.00 O ATOM 1317 NE2 GLN A 981 -3.103 -3.442 1.117 1.00 0.00 N ATOM 0 H GLN A 981 -5.731 -2.671 -1.744 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.293 -0.781 -0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.851 -2.273 -2.678 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.879 -0.847 -2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -1.775 -2.941 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -1.986 -1.791 -0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -2.531 -2.706 1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -3.564 -4.126 1.716 1.00 0.00 H new ATOM 1326 N VAL A 982 -4.137 1.276 -1.829 1.00 0.00 N ATOM 1327 CA VAL A 982 -4.404 2.573 -2.443 1.00 0.00 C ATOM 1328 C VAL A 982 -4.647 2.482 -3.955 1.00 0.00 C ATOM 1329 O VAL A 982 -4.336 3.418 -4.693 1.00 0.00 O ATOM 1330 CB VAL A 982 -3.231 3.529 -2.194 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -3.069 3.800 -0.708 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -1.956 2.953 -2.786 1.00 0.00 C ATOM 0 H VAL A 982 -3.204 1.191 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 982 -5.316 2.948 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 982 -3.440 4.479 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -2.232 4.480 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -3.981 4.252 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -2.877 2.863 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -1.128 3.639 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -1.740 1.992 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -2.084 2.815 -3.860 1.00 0.00 H new ATOM 1342 N GLY A 983 -5.199 1.365 -4.415 1.00 0.00 N ATOM 1343 CA GLY A 983 -5.464 1.195 -5.831 1.00 0.00 C ATOM 1344 C GLY A 983 -6.638 0.271 -6.089 1.00 0.00 C ATOM 1345 O GLY A 983 -7.371 0.446 -7.064 1.00 0.00 O ATOM 0 H GLY A 983 -5.468 0.573 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -5.664 2.168 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -4.575 0.795 -6.319 1.00 0.00 H new ATOM 1349 N SER A 984 -6.815 -0.715 -5.217 1.00 0.00 N ATOM 1350 CA SER A 984 -7.906 -1.673 -5.354 1.00 0.00 C ATOM 1351 C SER A 984 -9.236 -1.054 -4.932 1.00 0.00 C ATOM 1352 O SER A 984 -9.324 -0.393 -3.897 1.00 0.00 O ATOM 1353 CB SER A 984 -7.624 -2.922 -4.517 1.00 0.00 C ATOM 1354 OG SER A 984 -8.675 -3.865 -4.636 1.00 0.00 O ATOM 0 H SER A 984 -6.216 -0.872 -4.406 1.00 0.00 H new ATOM 0 HA SER A 984 -7.976 -1.955 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 984 -6.687 -3.375 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 984 -7.500 -2.642 -3.471 1.00 0.00 H new ATOM 0 HG SER A 984 -8.304 -4.741 -4.872 1.00 0.00 H new ATOM 1360 N ARG A 985 -10.268 -1.275 -5.741 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.594 -0.743 -5.452 1.00 0.00 C ATOM 1362 C ARG A 985 -12.518 -1.840 -4.930 1.00 0.00 C ATOM 1363 O ARG A 985 -12.561 -2.943 -5.474 1.00 0.00 O ATOM 1364 CB ARG A 985 -12.195 -0.100 -6.702 1.00 0.00 C ATOM 1365 CG ARG A 985 -12.319 -1.051 -7.878 1.00 0.00 C ATOM 1366 CD ARG A 985 -12.880 -0.351 -9.104 1.00 0.00 C ATOM 1367 NE ARG A 985 -12.979 -1.248 -10.252 1.00 0.00 N ATOM 1368 CZ ARG A 985 -13.432 -0.874 -11.444 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -13.827 0.377 -11.645 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -13.491 -1.750 -12.437 1.00 0.00 N ATOM 0 H ARG A 985 -10.211 -1.819 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 985 -11.492 0.018 -4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -13.182 0.293 -6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -11.577 0.749 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -11.341 -1.470 -8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -12.966 -1.885 -7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -13.867 0.050 -8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -12.244 0.496 -9.360 1.00 0.00 H new ATOM 0 HE ARG A 985 -12.684 -2.217 -10.132 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -13.783 1.054 -10.883 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -14.174 0.661 -12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -13.189 -2.712 -12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -13.839 -1.462 -13.351 1.00 0.00 H new ATOM 1384 N ILE A 986 -13.255 -1.525 -3.871 1.00 0.00 N ATOM 1385 CA ILE A 986 -14.182 -2.475 -3.265 1.00 0.00 C ATOM 1386 C ILE A 986 -15.608 -2.240 -3.753 1.00 0.00 C ATOM 1387 O ILE A 986 -16.060 -1.097 -3.849 1.00 0.00 O ATOM 1388 CB ILE A 986 -14.157 -2.371 -1.732 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -14.551 -0.959 -1.294 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -12.778 -2.738 -1.201 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -14.630 -0.788 0.205 1.00 0.00 C ATOM 0 H ILE A 986 -13.228 -0.614 -3.412 1.00 0.00 H new ATOM 0 HA ILE A 986 -13.858 -3.472 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 986 -14.880 -3.074 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.827 -0.249 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -15.518 -0.709 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -12.774 -2.660 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -12.536 -3.760 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -12.035 -2.057 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -14.914 0.238 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -15.375 -1.473 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -13.658 -1.005 0.648 1.00 0.00 H new ATOM 1403 N THR A 987 -16.318 -3.322 -4.055 1.00 0.00 N ATOM 1404 CA THR A 987 -17.694 -3.217 -4.523 1.00 0.00 C ATOM 1405 C THR A 987 -18.689 -3.418 -3.392 1.00 0.00 C ATOM 1406 O THR A 987 -18.545 -4.325 -2.574 1.00 0.00 O ATOM 1407 CB THR A 987 -17.997 -4.218 -5.648 1.00 0.00 C ATOM 1408 OG1 THR A 987 -17.428 -5.497 -5.343 1.00 0.00 O ATOM 1409 CG2 THR A 987 -17.459 -3.703 -6.970 1.00 0.00 C ATOM 0 H THR A 987 -15.965 -4.276 -3.984 1.00 0.00 H new ATOM 0 HA THR A 987 -17.803 -2.206 -4.916 1.00 0.00 H new ATOM 0 HB THR A 987 -19.078 -4.330 -5.732 1.00 0.00 H new ATOM 0 HG1 THR A 987 -17.630 -6.126 -6.067 1.00 0.00 H new ATOM 0 HG21 THR A 987 -17.681 -4.422 -7.758 1.00 0.00 H new ATOM 0 HG22 THR A 987 -17.929 -2.749 -7.207 1.00 0.00 H new ATOM 0 HG23 THR A 987 -16.380 -3.567 -6.896 1.00 0.00 H new ATOM 1417 N TYR A 988 -19.699 -2.560 -3.356 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.730 -2.633 -2.325 1.00 0.00 C ATOM 1419 C TYR A 988 -21.997 -3.282 -2.869 1.00 0.00 C ATOM 1420 O TYR A 988 -22.419 -2.993 -3.989 1.00 0.00 O ATOM 1421 CB TYR A 988 -21.057 -1.237 -1.790 1.00 0.00 C ATOM 1422 CG TYR A 988 -19.883 -0.529 -1.149 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.778 -0.147 -1.901 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -19.882 -0.242 0.209 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.706 0.501 -1.316 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -18.813 0.405 0.801 1.00 0.00 C ATOM 1427 CZ TYR A 988 -17.729 0.775 0.034 1.00 0.00 C ATOM 1428 OH TYR A 988 -16.666 1.422 0.620 1.00 0.00 O ATOM 0 H TYR A 988 -19.828 -1.804 -4.028 1.00 0.00 H new ATOM 0 HA TYR A 988 -20.343 -3.245 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.433 -0.625 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -21.861 -1.319 -1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.757 -0.360 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -20.730 -0.529 0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.855 0.791 -1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -18.827 0.619 1.859 1.00 0.00 H new ATOM 0 HH TYR A 988 -16.842 1.539 1.577 1.00 0.00 H new ATOM 1438 N SER A 989 -22.609 -4.151 -2.069 1.00 0.00 N ATOM 1439 CA SER A 989 -23.835 -4.823 -2.485 1.00 0.00 C ATOM 1440 C SER A 989 -24.679 -5.223 -1.280 1.00 0.00 C ATOM 1441 O SER A 989 -24.228 -5.969 -0.410 1.00 0.00 O ATOM 1442 CB SER A 989 -23.509 -6.058 -3.326 1.00 0.00 C ATOM 1443 OG SER A 989 -22.779 -5.706 -4.488 1.00 0.00 O ATOM 0 H SER A 989 -22.279 -4.404 -1.138 1.00 0.00 H new ATOM 0 HA SER A 989 -24.410 -4.122 -3.090 1.00 0.00 H new ATOM 0 HB2 SER A 989 -22.932 -6.765 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 989 -24.433 -6.561 -3.612 1.00 0.00 H new ATOM 0 HG SER A 989 -21.917 -6.173 -4.487 1.00 0.00 H new ATOM 1449 N CYS A 990 -25.909 -4.723 -1.244 1.00 0.00 N ATOM 1450 CA CYS A 990 -26.832 -5.022 -0.156 1.00 0.00 C ATOM 1451 C CYS A 990 -27.491 -6.381 -0.367 1.00 0.00 C ATOM 1452 O CYS A 990 -27.566 -6.875 -1.492 1.00 0.00 O ATOM 1453 CB CYS A 990 -27.907 -3.939 -0.056 1.00 0.00 C ATOM 1454 SG CYS A 990 -27.255 -2.256 0.187 1.00 0.00 S ATOM 0 H CYS A 990 -26.291 -4.105 -1.960 1.00 0.00 H new ATOM 0 HA CYS A 990 -26.263 -5.047 0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -28.508 -3.955 -0.965 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -28.574 -4.181 0.772 1.00 0.00 H new ATOM 1459 N THR A 991 -27.976 -6.975 0.719 1.00 0.00 N ATOM 1460 CA THR A 991 -28.638 -8.269 0.642 1.00 0.00 C ATOM 1461 C THR A 991 -29.912 -8.165 -0.189 1.00 0.00 C ATOM 1462 O THR A 991 -30.578 -7.128 -0.184 1.00 0.00 O ATOM 1463 CB THR A 991 -28.989 -8.810 2.041 1.00 0.00 C ATOM 1464 OG1 THR A 991 -29.664 -10.068 1.927 1.00 0.00 O ATOM 1465 CG2 THR A 991 -29.866 -7.825 2.801 1.00 0.00 C ATOM 0 H THR A 991 -27.923 -6.581 1.658 1.00 0.00 H new ATOM 0 HA THR A 991 -27.943 -8.961 0.167 1.00 0.00 H new ATOM 0 HB THR A 991 -28.060 -8.946 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 991 -29.881 -10.405 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 991 -30.100 -8.230 3.785 1.00 0.00 H new ATOM 0 HG22 THR A 991 -29.337 -6.879 2.915 1.00 0.00 H new ATOM 0 HG23 THR A 991 -30.791 -7.659 2.248 1.00 0.00 H new ATOM 1473 N THR A 992 -30.236 -9.232 -0.914 1.00 0.00 N ATOM 1474 CA THR A 992 -31.422 -9.249 -1.765 1.00 0.00 C ATOM 1475 C THR A 992 -32.630 -8.658 -1.043 1.00 0.00 C ATOM 1476 O THR A 992 -33.026 -9.132 0.022 1.00 0.00 O ATOM 1477 CB THR A 992 -31.761 -10.680 -2.225 1.00 0.00 C ATOM 1478 OG1 THR A 992 -30.646 -11.245 -2.927 1.00 0.00 O ATOM 1479 CG2 THR A 992 -32.985 -10.686 -3.127 1.00 0.00 C ATOM 0 H THR A 992 -29.694 -10.096 -0.929 1.00 0.00 H new ATOM 0 HA THR A 992 -31.193 -8.638 -2.638 1.00 0.00 H new ATOM 0 HB THR A 992 -31.978 -11.278 -1.340 1.00 0.00 H new ATOM 0 HG1 THR A 992 -30.868 -12.155 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 992 -33.203 -11.708 -3.438 1.00 0.00 H new ATOM 0 HG22 THR A 992 -33.839 -10.282 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 992 -32.791 -10.073 -4.007 1.00 0.00 H new ATOM 1487 N GLY A 993 -33.207 -7.617 -1.636 1.00 0.00 N ATOM 1488 CA GLY A 993 -34.363 -6.966 -1.047 1.00 0.00 C ATOM 1489 C GLY A 993 -34.185 -5.463 -0.941 1.00 0.00 C ATOM 1490 O GLY A 993 -35.020 -4.697 -1.423 1.00 0.00 O ATOM 0 H GLY A 993 -32.893 -7.212 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -35.246 -7.184 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -34.544 -7.379 -0.055 1.00 0.00 H new ATOM 1494 N HIS A 994 -33.094 -5.042 -0.308 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.800 -3.626 -0.136 1.00 0.00 C ATOM 1496 C HIS A 994 -31.723 -3.176 -1.120 1.00 0.00 C ATOM 1497 O HIS A 994 -30.740 -3.883 -1.343 1.00 0.00 O ATOM 1498 CB HIS A 994 -32.334 -3.357 1.297 1.00 0.00 C ATOM 1499 CG HIS A 994 -33.266 -3.885 2.344 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -33.621 -5.214 2.434 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -33.911 -3.257 3.356 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -34.444 -5.381 3.454 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -34.636 -4.209 4.029 1.00 0.00 N ATOM 0 H HIS A 994 -32.396 -5.667 0.096 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.711 -3.060 -0.332 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -31.351 -3.805 1.440 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -32.218 -2.282 1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -33.864 -2.204 3.590 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -34.884 -6.317 3.764 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -35.228 -4.038 4.842 1.00 0.00 H new ATOM 1512 N ARG A 995 -31.909 -1.996 -1.697 1.00 0.00 N ATOM 1513 CA ARG A 995 -30.948 -1.449 -2.649 1.00 0.00 C ATOM 1514 C ARG A 995 -29.974 -0.514 -1.940 1.00 0.00 C ATOM 1515 O ARG A 995 -30.337 0.145 -0.968 1.00 0.00 O ATOM 1516 CB ARG A 995 -31.670 -0.704 -3.773 1.00 0.00 C ATOM 1517 CG ARG A 995 -32.540 0.443 -3.285 1.00 0.00 C ATOM 1518 CD ARG A 995 -33.239 1.141 -4.440 1.00 0.00 C ATOM 1519 NE ARG A 995 -34.096 2.232 -3.984 1.00 0.00 N ATOM 1520 CZ ARG A 995 -34.819 2.994 -4.800 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -34.786 2.785 -6.110 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -35.575 3.966 -4.308 1.00 0.00 N ATOM 0 H ARG A 995 -32.717 -1.398 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 995 -30.387 -2.276 -3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -30.930 -0.315 -4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -32.291 -1.410 -4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -33.283 0.064 -2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -31.926 1.161 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -32.493 1.531 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -33.838 0.417 -4.992 1.00 0.00 H new ATOM 0 HE ARG A 995 -34.143 2.420 -2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -34.205 2.039 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -35.341 3.370 -6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -35.603 4.131 -3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -36.129 4.549 -4.936 1.00 0.00 H new ATOM 1536 N LEU A 996 -28.734 -0.472 -2.418 1.00 0.00 N ATOM 1537 CA LEU A 996 -27.714 0.375 -1.821 1.00 0.00 C ATOM 1538 C LEU A 996 -27.978 1.849 -2.119 1.00 0.00 C ATOM 1539 O LEU A 996 -28.379 2.209 -3.226 1.00 0.00 O ATOM 1540 CB LEU A 996 -26.332 -0.043 -2.324 1.00 0.00 C ATOM 1541 CG LEU A 996 -26.100 0.098 -3.826 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -25.693 1.518 -4.155 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -25.041 -0.887 -4.297 1.00 0.00 C ATOM 0 H LEU A 996 -28.414 -1.017 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.748 0.248 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -25.582 0.551 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -26.165 -1.084 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 996 -27.029 -0.129 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -25.529 1.610 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -26.483 2.203 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -24.773 1.765 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -24.889 -0.772 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -24.104 -0.692 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -25.370 -1.904 -4.084 1.00 0.00 H new ATOM 1555 N ILE A 997 -27.755 2.699 -1.119 1.00 0.00 N ATOM 1556 CA ILE A 997 -27.966 4.137 -1.268 1.00 0.00 C ATOM 1557 C ILE A 997 -26.685 4.914 -0.970 1.00 0.00 C ATOM 1558 O ILE A 997 -26.240 4.975 0.176 1.00 0.00 O ATOM 1559 CB ILE A 997 -29.097 4.641 -0.334 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -30.475 4.364 -0.931 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -28.957 6.123 -0.055 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -30.747 2.909 -1.177 1.00 0.00 C ATOM 0 H ILE A 997 -27.428 2.416 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 997 -28.258 4.310 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 997 -29.003 4.094 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -31.238 4.758 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -30.569 4.906 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -29.764 6.447 0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -27.998 6.314 0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -29.008 6.676 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -31.744 2.792 -1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -30.008 2.513 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -30.687 2.363 -0.235 1.00 0.00 H new ATOM 1574 N GLY A 998 -26.104 5.516 -2.005 1.00 0.00 N ATOM 1575 CA GLY A 998 -24.890 6.289 -1.820 1.00 0.00 C ATOM 1576 C GLY A 998 -24.012 6.327 -3.053 1.00 0.00 C ATOM 1577 O GLY A 998 -23.733 7.398 -3.593 1.00 0.00 O ATOM 0 H GLY A 998 -26.451 5.482 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -25.155 7.308 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -24.322 5.868 -0.990 1.00 0.00 H new ATOM 1581 N HIS A 999 -23.572 5.155 -3.490 1.00 0.00 N ATOM 1582 CA HIS A 999 -22.705 5.037 -4.663 1.00 0.00 C ATOM 1583 C HIS A 999 -22.861 3.663 -5.319 1.00 0.00 C ATOM 1584 O HIS A 999 -23.961 3.282 -5.717 1.00 0.00 O ATOM 1585 CB HIS A 999 -21.241 5.262 -4.265 1.00 0.00 C ATOM 1586 CG HIS A 999 -20.965 6.626 -3.716 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -21.068 7.778 -4.468 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -20.599 7.020 -2.474 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -20.776 8.822 -3.713 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -20.489 8.389 -2.499 1.00 0.00 N ATOM 0 H HIS A 999 -23.801 4.264 -3.049 1.00 0.00 H new ATOM 0 HA HIS A 999 -23.001 5.800 -5.383 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -20.958 4.517 -3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -20.608 5.097 -5.137 1.00 0.00 H new ATOM 0 HD1 HIS A 999 -21.329 7.818 -5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -20.426 6.378 -1.623 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -20.773 9.853 -4.034 1.00 0.00 H new ATOM 1599 N SER A1000 -21.756 2.924 -5.434 1.00 0.00 N ATOM 1600 CA SER A1000 -21.783 1.598 -6.043 1.00 0.00 C ATOM 1601 C SER A1000 -20.472 0.855 -5.796 1.00 0.00 C ATOM 1602 O SER A1000 -20.476 -0.317 -5.420 1.00 0.00 O ATOM 1603 CB SER A1000 -22.044 1.708 -7.546 1.00 0.00 C ATOM 1604 OG SER A1000 -21.048 2.491 -8.183 1.00 0.00 O ATOM 0 H SER A1000 -20.835 3.222 -5.114 1.00 0.00 H new ATOM 0 HA SER A1000 -22.592 1.032 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A1000 -22.065 0.712 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A1000 -23.024 2.153 -7.716 1.00 0.00 H new ATOM 0 HG SER A1000 -21.238 2.544 -9.143 1.00 0.00 H new ATOM 1610 N SER A1001 -19.354 1.544 -6.005 1.00 0.00 N ATOM 1611 CA SER A1001 -18.039 0.945 -5.798 1.00 0.00 C ATOM 1612 C SER A1001 -16.990 2.018 -5.522 1.00 0.00 C ATOM 1613 O SER A1001 -16.593 2.760 -6.421 1.00 0.00 O ATOM 1614 CB SER A1001 -17.632 0.122 -7.022 1.00 0.00 C ATOM 1615 OG SER A1001 -17.579 0.928 -8.187 1.00 0.00 O ATOM 0 H SER A1001 -19.332 2.515 -6.317 1.00 0.00 H new ATOM 0 HA SER A1001 -18.099 0.288 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A1001 -16.658 -0.335 -6.848 1.00 0.00 H new ATOM 0 HB3 SER A1001 -18.344 -0.690 -7.170 1.00 0.00 H new ATOM 0 HG SER A1001 -17.153 1.784 -7.973 1.00 0.00 H new ATOM 1621 N ALA A1002 -16.547 2.093 -4.271 1.00 0.00 N ATOM 1622 CA ALA A1002 -15.544 3.074 -3.870 1.00 0.00 C ATOM 1623 C ALA A1002 -14.130 2.539 -4.072 1.00 0.00 C ATOM 1624 O ALA A1002 -13.818 1.418 -3.670 1.00 0.00 O ATOM 1625 CB ALA A1002 -15.753 3.480 -2.419 1.00 0.00 C ATOM 0 H ALA A1002 -16.867 1.486 -3.517 1.00 0.00 H new ATOM 0 HA ALA A1002 -15.663 3.952 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -14.998 4.212 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -16.745 3.917 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -15.667 2.602 -1.779 1.00 0.00 H new ATOM 1631 N GLU A1003 -13.274 3.352 -4.684 1.00 0.00 N ATOM 1632 CA GLU A1003 -11.890 2.962 -4.924 1.00 0.00 C ATOM 1633 C GLU A1003 -10.972 3.500 -3.836 1.00 0.00 C ATOM 1634 O GLU A1003 -11.032 4.678 -3.486 1.00 0.00 O ATOM 1635 CB GLU A1003 -11.400 3.466 -6.280 1.00 0.00 C ATOM 1636 CG GLU A1003 -11.662 4.943 -6.515 1.00 0.00 C ATOM 1637 CD GLU A1003 -13.093 5.234 -6.924 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -13.880 4.273 -7.066 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -13.428 6.423 -7.110 1.00 0.00 O ATOM 0 H GLU A1003 -13.515 4.284 -5.022 1.00 0.00 H new ATOM 0 HA GLU A1003 -11.861 1.872 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -10.329 3.279 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -11.885 2.890 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -11.430 5.497 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -10.987 5.307 -7.290 1.00 0.00 H new ATOM 1646 N CYS A1004 -10.107 2.637 -3.325 1.00 0.00 N ATOM 1647 CA CYS A1004 -9.157 3.035 -2.299 1.00 0.00 C ATOM 1648 C CYS A1004 -8.015 3.806 -2.943 1.00 0.00 C ATOM 1649 O CYS A1004 -7.407 3.331 -3.902 1.00 0.00 O ATOM 1650 CB CYS A1004 -8.618 1.804 -1.571 1.00 0.00 C ATOM 1651 SG CYS A1004 -7.503 2.178 -0.179 1.00 0.00 S ATOM 0 H CYS A1004 -10.044 1.658 -3.604 1.00 0.00 H new ATOM 0 HA CYS A1004 -9.659 3.673 -1.571 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -9.460 1.220 -1.199 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -8.087 1.177 -2.287 1.00 0.00 H new ATOM 1656 N ILE A1005 -7.730 5.000 -2.438 1.00 0.00 N ATOM 1657 CA ILE A1005 -6.664 5.809 -3.009 1.00 0.00 C ATOM 1658 C ILE A1005 -5.782 6.438 -1.934 1.00 0.00 C ATOM 1659 O ILE A1005 -5.742 5.974 -0.793 1.00 0.00 O ATOM 1660 CB ILE A1005 -7.236 6.916 -3.914 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -8.188 7.814 -3.119 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -7.948 6.301 -5.115 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -8.724 8.987 -3.911 1.00 0.00 C ATOM 0 H ILE A1005 -8.214 5.423 -1.646 1.00 0.00 H new ATOM 0 HA ILE A1005 -6.048 5.136 -3.605 1.00 0.00 H new ATOM 0 HB ILE A1005 -6.414 7.530 -4.281 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -9.026 7.215 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -7.668 8.190 -2.238 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -8.348 7.094 -5.747 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -7.242 5.701 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -8.764 5.667 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -9.391 9.577 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -7.894 9.610 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -9.274 8.620 -4.778 1.00 0.00 H new ATOM 1675 N LEU A1006 -5.071 7.495 -2.315 1.00 0.00 N ATOM 1676 CA LEU A1006 -4.173 8.189 -1.400 1.00 0.00 C ATOM 1677 C LEU A1006 -4.049 9.662 -1.772 1.00 0.00 C ATOM 1678 O LEU A1006 -3.936 10.009 -2.948 1.00 0.00 O ATOM 1679 CB LEU A1006 -2.786 7.540 -1.436 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.735 8.187 -0.527 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -2.010 7.854 0.929 1.00 0.00 C ATOM 1682 CD2 LEU A1006 -0.339 7.725 -0.915 1.00 0.00 C ATOM 0 H LEU A1006 -5.100 7.890 -3.255 1.00 0.00 H new ATOM 0 HA LEU A1006 -4.589 8.114 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.887 6.491 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -2.419 7.564 -2.462 1.00 0.00 H new ATOM 0 HG LEU A1006 -1.794 9.268 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -1.253 8.322 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.995 8.227 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -1.979 6.773 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A1006 0.395 8.194 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A1006 -0.274 6.641 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A1006 -0.136 8.008 -1.948 1.00 0.00 H new ATOM 1694 N SER A1007 -4.061 10.523 -0.761 1.00 0.00 N ATOM 1695 CA SER A1007 -3.937 11.958 -0.980 1.00 0.00 C ATOM 1696 C SER A1007 -2.470 12.365 -0.997 1.00 0.00 C ATOM 1697 O SER A1007 -2.037 13.140 -1.850 1.00 0.00 O ATOM 1698 CB SER A1007 -4.682 12.727 0.113 1.00 0.00 C ATOM 1699 OG SER A1007 -6.068 12.438 0.086 1.00 0.00 O ATOM 0 H SER A1007 -4.155 10.252 0.218 1.00 0.00 H new ATOM 0 HA SER A1007 -4.380 12.201 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A1007 -4.272 12.467 1.089 1.00 0.00 H new ATOM 0 HB3 SER A1007 -4.528 13.798 -0.022 1.00 0.00 H new ATOM 0 HG SER A1007 -6.199 11.468 0.033 1.00 0.00 H new ATOM 1705 N GLY A1008 -1.711 11.832 -0.046 1.00 0.00 N ATOM 1706 CA GLY A1008 -0.297 12.137 0.042 1.00 0.00 C ATOM 1707 C GLY A1008 0.296 11.701 1.365 1.00 0.00 C ATOM 1708 O GLY A1008 1.374 11.107 1.409 1.00 0.00 O ATOM 0 H GLY A1008 -2.053 11.190 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A1008 0.232 11.643 -0.773 1.00 0.00 H new ATOM 0 HA3 GLY A1008 -0.149 13.209 -0.086 1.00 0.00 H new ATOM 1712 N ASN A1009 -0.414 12.003 2.447 1.00 0.00 N ATOM 1713 CA ASN A1009 0.035 11.648 3.788 1.00 0.00 C ATOM 1714 C ASN A1009 -0.760 10.470 4.339 1.00 0.00 C ATOM 1715 O ASN A1009 -0.247 9.681 5.133 1.00 0.00 O ATOM 1716 CB ASN A1009 -0.111 12.845 4.728 1.00 0.00 C ATOM 1717 CG ASN A1009 0.622 14.072 4.225 1.00 0.00 C ATOM 1718 OD1 ASN A1009 0.337 14.579 3.140 1.00 0.00 O ATOM 1719 ND2 ASN A1009 1.573 14.558 5.015 1.00 0.00 N ATOM 0 H ASN A1009 -1.307 12.495 2.420 1.00 0.00 H new ATOM 0 HA ASN A1009 1.084 11.360 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A1009 -1.168 13.081 4.848 1.00 0.00 H new ATOM 0 HB3 ASN A1009 0.270 12.577 5.714 1.00 0.00 H new ATOM 0 HD21 ASN A1009 2.100 15.383 4.730 1.00 0.00 H new ATOM 0 HD22 ASN A1009 1.776 14.106 5.906 1.00 0.00 H new ATOM 1726 N THR A1010 -2.022 10.372 3.935 1.00 0.00 N ATOM 1727 CA THR A1010 -2.894 9.308 4.414 1.00 0.00 C ATOM 1728 C THR A1010 -3.831 8.798 3.320 1.00 0.00 C ATOM 1729 O THR A1010 -4.386 9.579 2.547 1.00 0.00 O ATOM 1730 CB THR A1010 -3.739 9.798 5.599 1.00 0.00 C ATOM 1731 OG1 THR A1010 -2.887 10.187 6.683 1.00 0.00 O ATOM 1732 CG2 THR A1010 -4.703 8.722 6.066 1.00 0.00 C ATOM 0 H THR A1010 -2.463 11.016 3.278 1.00 0.00 H new ATOM 0 HA THR A1010 -2.247 8.488 4.727 1.00 0.00 H new ATOM 0 HB THR A1010 -4.319 10.658 5.266 1.00 0.00 H new ATOM 0 HG1 THR A1010 -3.434 10.500 7.433 1.00 0.00 H new ATOM 0 HG21 THR A1010 -5.288 9.097 6.906 1.00 0.00 H new ATOM 0 HG22 THR A1010 -5.372 8.454 5.249 1.00 0.00 H new ATOM 0 HG23 THR A1010 -4.142 7.842 6.379 1.00 0.00 H new ATOM 1740 N ALA A1011 -4.002 7.479 3.271 1.00 0.00 N ATOM 1741 CA ALA A1011 -4.872 6.847 2.285 1.00 0.00 C ATOM 1742 C ALA A1011 -6.327 6.880 2.736 1.00 0.00 C ATOM 1743 O ALA A1011 -6.619 6.782 3.928 1.00 0.00 O ATOM 1744 CB ALA A1011 -4.428 5.414 2.035 1.00 0.00 C ATOM 0 H ALA A1011 -3.546 6.825 3.907 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.795 7.409 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -5.085 4.953 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -3.404 5.410 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -4.476 4.850 2.967 1.00 0.00 H new ATOM 1750 N HIS A1012 -7.240 7.019 1.777 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.665 7.064 2.087 1.00 0.00 C ATOM 1752 C HIS A1012 -9.506 6.701 0.868 1.00 0.00 C ATOM 1753 O HIS A1012 -9.093 6.921 -0.272 1.00 0.00 O ATOM 1754 CB HIS A1012 -9.062 8.452 2.600 1.00 0.00 C ATOM 1755 CG HIS A1012 -8.928 9.539 1.580 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -9.622 9.544 0.389 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -8.181 10.669 1.581 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -9.309 10.627 -0.298 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -8.438 11.328 0.403 1.00 0.00 N ATOM 0 H HIS A1012 -7.019 7.102 0.785 1.00 0.00 H new ATOM 0 HA HIS A1012 -8.857 6.329 2.869 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -10.095 8.418 2.947 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -8.444 8.700 3.463 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -7.509 10.992 2.362 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -9.699 10.894 -1.269 1.00 0.00 H new ATOM 0 HE2 HIS A1012 -8.023 12.215 0.117 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.687 6.142 1.115 1.00 0.00 N ATOM 1769 CA TRP A1013 -11.585 5.751 0.037 1.00 0.00 C ATOM 1770 C TRP A1013 -12.087 6.976 -0.717 1.00 0.00 C ATOM 1771 O TRP A1013 -12.360 8.017 -0.119 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.773 4.957 0.578 1.00 0.00 C ATOM 1773 CG TRP A1013 -12.376 3.772 1.402 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -12.225 3.730 2.757 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -12.060 2.462 0.921 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -11.851 2.467 3.151 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -11.740 1.672 2.041 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -12.022 1.879 -0.348 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -11.388 0.330 1.929 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -11.669 0.548 -0.458 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -11.357 -0.214 0.674 1.00 0.00 C ATOM 0 H TRP A1013 -11.043 5.950 2.052 1.00 0.00 H new ATOM 0 HA TRP A1013 -11.023 5.118 -0.650 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -13.396 5.617 1.182 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -13.385 4.619 -0.258 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -12.377 4.567 3.423 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -11.684 2.170 4.112 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -12.264 2.458 -1.227 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -11.148 -0.260 2.801 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -11.633 0.087 -1.434 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -11.086 -1.253 0.554 1.00 0.00 H new ATOM 1792 N SER A1014 -12.204 6.843 -2.031 1.00 0.00 N ATOM 1793 CA SER A1014 -12.671 7.933 -2.876 1.00 0.00 C ATOM 1794 C SER A1014 -14.087 8.360 -2.495 1.00 0.00 C ATOM 1795 O SER A1014 -14.453 9.524 -2.647 1.00 0.00 O ATOM 1796 CB SER A1014 -12.632 7.517 -4.346 1.00 0.00 C ATOM 1797 OG SER A1014 -13.071 8.570 -5.188 1.00 0.00 O ATOM 0 H SER A1014 -11.981 5.986 -2.537 1.00 0.00 H new ATOM 0 HA SER A1014 -12.005 8.783 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A1014 -11.617 7.229 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A1014 -13.263 6.641 -4.496 1.00 0.00 H new ATOM 0 HG SER A1014 -13.319 8.207 -6.064 1.00 0.00 H new ATOM 1803 N THR A1015 -14.881 7.410 -2.006 1.00 0.00 N ATOM 1804 CA THR A1015 -16.259 7.696 -1.615 1.00 0.00 C ATOM 1805 C THR A1015 -16.671 6.890 -0.388 1.00 0.00 C ATOM 1806 O THR A1015 -16.340 5.710 -0.266 1.00 0.00 O ATOM 1807 CB THR A1015 -17.246 7.383 -2.757 1.00 0.00 C ATOM 1808 OG1 THR A1015 -17.244 5.979 -3.035 1.00 0.00 O ATOM 1809 CG2 THR A1015 -16.884 8.147 -4.020 1.00 0.00 C ATOM 0 H THR A1015 -14.596 6.440 -1.872 1.00 0.00 H new ATOM 0 HA THR A1015 -16.297 8.760 -1.381 1.00 0.00 H new ATOM 0 HB THR A1015 -18.240 7.694 -2.436 1.00 0.00 H new ATOM 0 HG1 THR A1015 -17.875 5.788 -3.760 1.00 0.00 H new ATOM 0 HG21 THR A1015 -17.598 7.906 -4.808 1.00 0.00 H new ATOM 0 HG22 THR A1015 -16.914 9.218 -3.819 1.00 0.00 H new ATOM 0 HG23 THR A1015 -15.881 7.866 -4.341 1.00 0.00 H new ATOM 1817 N LYS A1016 -17.401 7.537 0.518 1.00 0.00 N ATOM 1818 CA LYS A1016 -17.868 6.884 1.736 1.00 0.00 C ATOM 1819 C LYS A1016 -18.822 5.736 1.408 1.00 0.00 C ATOM 1820 O LYS A1016 -19.451 5.725 0.349 1.00 0.00 O ATOM 1821 CB LYS A1016 -18.542 7.903 2.664 1.00 0.00 C ATOM 1822 CG LYS A1016 -19.686 8.678 2.025 1.00 0.00 C ATOM 1823 CD LYS A1016 -20.952 7.842 1.913 1.00 0.00 C ATOM 1824 CE LYS A1016 -22.098 8.643 1.316 1.00 0.00 C ATOM 1825 NZ LYS A1016 -21.778 9.131 -0.055 1.00 0.00 N ATOM 0 H LYS A1016 -17.681 8.514 0.430 1.00 0.00 H new ATOM 0 HA LYS A1016 -17.004 6.465 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -18.920 7.381 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -17.790 8.611 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -19.893 9.571 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -19.385 9.015 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -20.757 6.966 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -21.237 7.477 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -22.994 8.024 1.281 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -22.322 9.493 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -22.637 9.108 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -21.421 10.106 -0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -21.052 8.520 -0.480 1.00 0.00 H new ATOM 1839 N PRO A1017 -18.935 4.746 2.311 1.00 0.00 N ATOM 1840 CA PRO A1017 -19.813 3.588 2.107 1.00 0.00 C ATOM 1841 C PRO A1017 -21.293 3.971 2.090 1.00 0.00 C ATOM 1842 O PRO A1017 -21.771 4.671 2.984 1.00 0.00 O ATOM 1843 CB PRO A1017 -19.507 2.686 3.306 1.00 0.00 C ATOM 1844 CG PRO A1017 -18.944 3.596 4.342 1.00 0.00 C ATOM 1845 CD PRO A1017 -18.218 4.680 3.595 1.00 0.00 C ATOM 0 HA PRO A1017 -19.633 3.111 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -20.408 2.189 3.665 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -18.796 1.904 3.040 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -19.735 4.014 4.965 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -18.266 3.059 5.006 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -18.257 5.631 4.127 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -17.165 4.436 3.455 1.00 0.00 H new ATOM 1853 N PRO A1018 -22.039 3.515 1.066 1.00 0.00 N ATOM 1854 CA PRO A1018 -23.471 3.810 0.929 1.00 0.00 C ATOM 1855 C PRO A1018 -24.306 3.199 2.050 1.00 0.00 C ATOM 1856 O PRO A1018 -23.828 3.020 3.171 1.00 0.00 O ATOM 1857 CB PRO A1018 -23.849 3.175 -0.419 1.00 0.00 C ATOM 1858 CG PRO A1018 -22.554 2.940 -1.120 1.00 0.00 C ATOM 1859 CD PRO A1018 -21.547 2.682 -0.041 1.00 0.00 C ATOM 0 HA PRO A1018 -23.663 4.882 0.980 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -24.393 2.242 -0.275 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -24.495 3.835 -0.997 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -22.626 2.091 -1.799 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -22.271 3.805 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -21.507 1.628 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -20.542 2.970 -0.348 1.00 0.00 H new ATOM 1867 N ILE A1019 -25.557 2.883 1.735 1.00 0.00 N ATOM 1868 CA ILE A1019 -26.471 2.291 2.707 1.00 0.00 C ATOM 1869 C ILE A1019 -27.265 1.152 2.071 1.00 0.00 C ATOM 1870 O ILE A1019 -26.864 0.596 1.050 1.00 0.00 O ATOM 1871 CB ILE A1019 -27.471 3.336 3.249 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -26.866 4.739 3.225 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -27.894 2.976 4.667 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -27.876 5.829 3.515 1.00 0.00 C ATOM 0 H ILE A1019 -25.963 3.027 0.811 1.00 0.00 H new ATOM 0 HA ILE A1019 -25.863 1.913 3.529 1.00 0.00 H new ATOM 0 HB ILE A1019 -28.348 3.330 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -26.062 4.793 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -26.418 4.918 2.247 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -28.599 3.721 5.037 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -28.369 1.995 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -27.017 2.954 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -27.382 6.800 3.483 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -28.668 5.800 2.767 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -28.306 5.673 4.505 1.00 0.00 H new ATOM 1886 N CYS A1020 -28.402 0.835 2.678 1.00 0.00 N ATOM 1887 CA CYS A1020 -29.290 -0.213 2.192 1.00 0.00 C ATOM 1888 C CYS A1020 -30.709 0.065 2.674 1.00 0.00 C ATOM 1889 O CYS A1020 -30.922 0.354 3.852 1.00 0.00 O ATOM 1890 CB CYS A1020 -28.837 -1.589 2.691 1.00 0.00 C ATOM 1891 SG CYS A1020 -27.145 -2.059 2.203 1.00 0.00 S ATOM 0 H CYS A1020 -28.735 1.299 3.523 1.00 0.00 H new ATOM 0 HA CYS A1020 -29.261 -0.217 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -28.904 -1.606 3.779 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -29.531 -2.342 2.317 1.00 0.00 H new ATOM 1896 N GLN A1021 -31.676 -0.011 1.768 1.00 0.00 N ATOM 1897 CA GLN A1021 -33.065 0.248 2.129 1.00 0.00 C ATOM 1898 C GLN A1021 -34.018 -0.511 1.215 1.00 0.00 C ATOM 1899 O GLN A1021 -33.771 -0.646 0.016 1.00 0.00 O ATOM 1900 CB GLN A1021 -33.359 1.751 2.065 1.00 0.00 C ATOM 1901 CG GLN A1021 -33.350 2.320 0.657 1.00 0.00 C ATOM 1902 CD GLN A1021 -33.654 3.807 0.615 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -33.847 4.415 1.783 1.00 0.00 O flip ATOM 1904 NE2 GLN A1021 -33.714 4.406 -0.458 1.00 0.00 N flip ATOM 0 H GLN A1021 -31.527 -0.247 0.787 1.00 0.00 H new ATOM 0 HA GLN A1021 -33.220 -0.102 3.150 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -34.333 1.940 2.517 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -32.620 2.282 2.666 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -32.374 2.142 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -34.084 1.788 0.051 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -33.560 3.903 -1.332 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -33.918 5.405 -0.474 1.00 0.00 H new ATOM 1913 N ARG A1022 -35.107 -1.010 1.794 1.00 0.00 N ATOM 1914 CA ARG A1022 -36.104 -1.763 1.041 1.00 0.00 C ATOM 1915 C ARG A1022 -36.493 -1.032 -0.229 1.00 0.00 C ATOM 1916 O ARG A1022 -36.831 0.152 -0.209 1.00 0.00 O ATOM 1917 CB ARG A1022 -37.344 -2.011 1.901 1.00 0.00 C ATOM 1918 CG ARG A1022 -38.449 -2.764 1.178 1.00 0.00 C ATOM 1919 CD ARG A1022 -38.019 -4.175 0.811 1.00 0.00 C ATOM 1920 NE ARG A1022 -39.079 -4.911 0.126 1.00 0.00 N ATOM 1921 CZ ARG A1022 -38.953 -6.165 -0.295 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -37.817 -6.823 -0.102 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -39.964 -6.765 -0.910 1.00 0.00 N ATOM 0 H ARG A1022 -35.321 -0.905 2.786 1.00 0.00 H new ATOM 0 HA ARG A1022 -35.664 -2.721 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -37.053 -2.574 2.788 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -37.734 -1.053 2.245 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -39.335 -2.806 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -38.728 -2.222 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -37.137 -4.130 0.171 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -37.730 -4.712 1.714 1.00 0.00 H new ATOM 0 HE ARG A1022 -39.966 -4.435 -0.038 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -37.037 -6.366 0.371 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -37.724 -7.786 -0.426 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -40.839 -6.264 -1.060 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -39.866 -7.728 -1.233 1.00 0.00 H new ATOM 1937 N ILE A1023 -36.434 -1.755 -1.335 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.768 -1.200 -2.630 1.00 0.00 C ATOM 1939 C ILE A1023 -38.279 -1.038 -2.784 1.00 0.00 C ATOM 1940 O ILE A1023 -39.039 -1.977 -2.546 1.00 0.00 O ATOM 1941 CB ILE A1023 -36.232 -2.094 -3.758 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -34.752 -2.409 -3.527 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -36.428 -1.410 -5.094 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -34.153 -3.325 -4.574 1.00 0.00 C ATOM 0 H ILE A1023 -36.155 -2.736 -1.358 1.00 0.00 H new ATOM 0 HA ILE A1023 -36.300 -0.218 -2.698 1.00 0.00 H new ATOM 0 HB ILE A1023 -36.786 -3.033 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -34.190 -1.475 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -34.637 -2.869 -2.546 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -36.046 -2.049 -5.890 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -37.490 -1.225 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -35.890 -0.462 -5.100 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -33.103 -3.503 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -34.689 -4.274 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -34.235 -2.858 -5.556 1.00 0.00 H new ATOM 1956 N PRO A1024 -38.737 0.161 -3.184 1.00 0.00 N ATOM 1957 CA PRO A1024 -40.165 0.444 -3.368 1.00 0.00 C ATOM 1958 C PRO A1024 -40.761 -0.322 -4.545 1.00 0.00 C ATOM 1959 O PRO A1024 -41.992 -0.533 -4.549 1.00 0.00 O ATOM 1960 CB PRO A1024 -40.189 1.950 -3.636 1.00 0.00 C ATOM 1961 CG PRO A1024 -38.856 2.238 -4.224 1.00 0.00 C ATOM 1962 CD PRO A1024 -37.905 1.340 -3.490 1.00 0.00 C ATOM 1963 OXT PRO A1024 -39.993 -0.701 -5.453 1.00 0.00 O ATOM 0 HA PRO A1024 -40.760 0.140 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -40.993 2.220 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -40.350 2.515 -2.718 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -38.845 2.034 -5.295 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -38.587 3.286 -4.096 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.042 1.078 -4.102 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -37.522 1.811 -2.584 1.00 0.00 H new