USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 975 HIS : no HD1:sc= -1.7 K(o=-2.4,f=-3.2) USER MOD Set 1.2: A 987 THR OG1 : rot 180:sc= -0.744 USER MOD Set 2.1: A 927 SER OG : rot 54:sc= -0.3 USER MOD Set 2.2: A 944 THR OG1 : rot -41:sc= 0.808 USER MOD Single : A 901 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-3.6!) USER MOD Single : A 903 GLN : amide:sc= -5.88! C(o=-5.9!,f=-2.8!) USER MOD Single : A 907 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.036) USER MOD Single : A 912 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 914 LYS NZ :NH3+ 151:sc= -3.28! (180deg=-5.89!) USER MOD Single : A 915 THR OG1 : rot -160:sc= 0.696 USER MOD Single : A 916 GLN : amide:sc= -5.99! K(o=-6!,f=-2.5) USER MOD Single : A 917 THR OG1 : rot 180:sc= 0 USER MOD Single : A 918 THR OG1 : rot -26:sc= 0.464 USER MOD Single : A 920 SER OG : rot 85:sc= 0.114 USER MOD Single : A 926 THR OG1 : rot -137:sc= -2.02! USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 930 TYR OH : rot 180:sc= -0.812 USER MOD Single : A 936 TYR OH : rot 180:sc= 0 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 942 SER OG : rot -7:sc= -2.03! USER MOD Single : A 948 ASN : amide:sc= -9.81! C(o=-9.8!,f=-2!) USER MOD Single : A 952 SER OG : rot 180:sc= 0.126 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ -144:sc= -3.53! (180deg=-5.81!) USER MOD Single : A 959 LYS NZ :NH3+ -132:sc= 1.13 (180deg=-0.543) USER MOD Single : A 961 LYS NZ :NH3+ 175:sc= -1.44 (180deg=-1.52) USER MOD Single : A 962 SER OG : rot 180:sc= -2.24! USER MOD Single : A 964 LYS NZ :NH3+ 168:sc= 0.137 (180deg=-0.05) USER MOD Single : A 965 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 ASN : amide:sc= -1.99! K(o=-2!,f=-0.97) USER MOD Single : A 973 MET CE :methyl 151:sc= -0.241 (180deg=-1.5) USER MOD Single : A 978 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 981 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.76) USER MOD Single : A 984 SER OG : rot -149:sc= 1.04 USER MOD Single : A 988 TYR OH : rot 165:sc= -0.316 USER MOD Single : A 989 SER OG : rot 180:sc= 0 USER MOD Single : A 991 THR OG1 : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot 96:sc= 0.516 USER MOD Single : A 994 HIS : no HD1:sc= -1.96 K(o=-2,f=-4.8!) USER MOD Single : A 999 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A1000 SER OG : rot 180:sc= 0 USER MOD Single : A1001 SER OG : rot 180:sc= 0 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1009 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1012 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-8.3!) USER MOD Single : A1014 SER OG : rot 64:sc= 0.655 USER MOD Single : A1015 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A1016 LYS NZ :NH3+ 169:sc= -0.0139 (180deg=-0.184) USER MOD Single : A1021 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 900 37.441 -4.397 -4.524 1.00 0.00 N ATOM 44 CA ALA A 900 36.078 -4.863 -4.744 1.00 0.00 C ATOM 45 C ALA A 900 35.067 -3.760 -4.469 1.00 0.00 C ATOM 46 O ALA A 900 35.183 -3.030 -3.485 1.00 0.00 O ATOM 47 CB ALA A 900 35.782 -6.066 -3.867 1.00 0.00 C ATOM 0 HA ALA A 900 35.991 -5.153 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 900 34.760 -6.402 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 900 36.476 -6.872 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 900 35.897 -5.789 -2.819 1.00 0.00 H new ATOM 53 N HIS A 901 34.073 -3.648 -5.344 1.00 0.00 N ATOM 54 CA HIS A 901 33.037 -2.636 -5.196 1.00 0.00 C ATOM 55 C HIS A 901 31.711 -3.146 -5.749 1.00 0.00 C ATOM 56 O HIS A 901 31.652 -3.672 -6.861 1.00 0.00 O ATOM 57 CB HIS A 901 33.437 -1.348 -5.920 1.00 0.00 C ATOM 58 CG HIS A 901 34.792 -0.837 -5.539 1.00 0.00 C ATOM 59 ND1 HIS A 901 35.964 -1.444 -5.935 1.00 0.00 N ATOM 60 CD2 HIS A 901 35.157 0.224 -4.782 1.00 0.00 C ATOM 61 CE1 HIS A 901 36.992 -0.780 -5.438 1.00 0.00 C ATOM 62 NE2 HIS A 901 36.529 0.237 -4.736 1.00 0.00 N ATOM 0 H HIS A 901 33.964 -4.246 -6.163 1.00 0.00 H new ATOM 0 HA HIS A 901 32.920 -2.423 -4.134 1.00 0.00 H new ATOM 0 HB2 HIS A 901 33.415 -1.525 -6.995 1.00 0.00 H new ATOM 0 HB3 HIS A 901 32.696 -0.578 -5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 901 34.493 0.929 -4.304 1.00 0.00 H new ATOM 0 HE1 HIS A 901 38.033 -1.027 -5.582 1.00 0.00 H new ATOM 0 HE2 HIS A 901 37.099 0.922 -4.239 1.00 0.00 H new ATOM 71 N CYS A 902 30.650 -2.988 -4.965 1.00 0.00 N ATOM 72 CA CYS A 902 29.325 -3.435 -5.376 1.00 0.00 C ATOM 73 C CYS A 902 28.660 -2.402 -6.279 1.00 0.00 C ATOM 74 O CYS A 902 28.574 -1.224 -5.934 1.00 0.00 O ATOM 75 CB CYS A 902 28.451 -3.698 -4.149 1.00 0.00 C ATOM 76 SG CYS A 902 28.417 -2.318 -2.960 1.00 0.00 S ATOM 0 H CYS A 902 30.682 -2.554 -4.042 1.00 0.00 H new ATOM 0 HA CYS A 902 29.438 -4.362 -5.938 1.00 0.00 H new ATOM 0 HB2 CYS A 902 27.433 -3.907 -4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 902 28.812 -4.593 -3.642 1.00 0.00 H new ATOM 81 N GLN A 903 28.193 -2.857 -7.435 1.00 0.00 N ATOM 82 CA GLN A 903 27.535 -1.978 -8.392 1.00 0.00 C ATOM 83 C GLN A 903 26.245 -1.408 -7.828 1.00 0.00 C ATOM 84 O GLN A 903 25.667 -1.952 -6.886 1.00 0.00 O ATOM 85 CB GLN A 903 27.250 -2.701 -9.708 1.00 0.00 C ATOM 86 CG GLN A 903 26.799 -4.141 -9.535 1.00 0.00 C ATOM 87 CD GLN A 903 27.947 -5.103 -9.280 1.00 0.00 C ATOM 88 OE1 GLN A 903 27.733 -6.300 -9.091 1.00 0.00 O ATOM 89 NE2 GLN A 903 29.174 -4.588 -9.276 1.00 0.00 N ATOM 0 H GLN A 903 28.258 -3.831 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 903 28.221 -1.154 -8.589 1.00 0.00 H new ATOM 0 HB2 GLN A 903 26.481 -2.153 -10.253 1.00 0.00 H new ATOM 0 HB3 GLN A 903 28.150 -2.684 -10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 903 26.096 -4.197 -8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 903 26.262 -4.456 -10.429 1.00 0.00 H new ATOM 0 HE21 GLN A 903 29.309 -3.590 -9.437 1.00 0.00 H new ATOM 0 HE22 GLN A 903 29.980 -5.191 -9.112 1.00 0.00 H new ATOM 98 N ALA A 904 25.811 -0.302 -8.419 1.00 0.00 N ATOM 99 CA ALA A 904 24.590 0.374 -7.997 1.00 0.00 C ATOM 100 C ALA A 904 23.450 -0.620 -7.778 1.00 0.00 C ATOM 101 O ALA A 904 23.192 -1.477 -8.623 1.00 0.00 O ATOM 102 CB ALA A 904 24.192 1.424 -9.023 1.00 0.00 C ATOM 0 H ALA A 904 26.291 0.149 -9.198 1.00 0.00 H new ATOM 0 HA ALA A 904 24.788 0.866 -7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 904 23.279 1.923 -8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 904 24.991 2.158 -9.121 1.00 0.00 H new ATOM 0 HB3 ALA A 904 24.020 0.944 -9.987 1.00 0.00 H new ATOM 108 N PRO A 905 22.751 -0.515 -6.634 1.00 0.00 N ATOM 109 CA PRO A 905 21.634 -1.407 -6.299 1.00 0.00 C ATOM 110 C PRO A 905 20.465 -1.266 -7.267 1.00 0.00 C ATOM 111 O PRO A 905 20.228 -0.192 -7.821 1.00 0.00 O ATOM 112 CB PRO A 905 21.220 -0.961 -4.893 1.00 0.00 C ATOM 113 CG PRO A 905 21.735 0.430 -4.762 1.00 0.00 C ATOM 114 CD PRO A 905 22.997 0.479 -5.574 1.00 0.00 C ATOM 0 HA PRO A 905 21.926 -2.455 -6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 905 20.137 -0.994 -4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 905 21.646 -1.613 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 905 21.006 1.153 -5.129 1.00 0.00 H new ATOM 0 HG3 PRO A 905 21.932 0.677 -3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 905 23.173 1.473 -5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 905 23.871 0.223 -4.976 1.00 0.00 H new ATOM 122 N ASP A 906 19.734 -2.361 -7.464 1.00 0.00 N ATOM 123 CA ASP A 906 18.586 -2.366 -8.363 1.00 0.00 C ATOM 124 C ASP A 906 17.518 -1.396 -7.865 1.00 0.00 C ATOM 125 O ASP A 906 17.541 -0.976 -6.708 1.00 0.00 O ATOM 126 CB ASP A 906 18.003 -3.772 -8.467 1.00 0.00 C ATOM 127 CG ASP A 906 17.111 -3.953 -9.682 1.00 0.00 C ATOM 128 OD1 ASP A 906 17.026 -3.019 -10.505 1.00 0.00 O ATOM 129 OD2 ASP A 906 16.506 -5.039 -9.815 1.00 0.00 O ATOM 0 H ASP A 906 19.918 -3.257 -7.012 1.00 0.00 H new ATOM 0 HA ASP A 906 18.919 -2.047 -9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 906 18.817 -4.495 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 906 17.430 -3.990 -7.566 1.00 0.00 H new ATOM 134 N HIS A 907 16.590 -1.036 -8.744 1.00 0.00 N ATOM 135 CA HIS A 907 15.523 -0.106 -8.390 1.00 0.00 C ATOM 136 C HIS A 907 14.457 -0.787 -7.539 1.00 0.00 C ATOM 137 O HIS A 907 13.885 -1.802 -7.938 1.00 0.00 O ATOM 138 CB HIS A 907 14.879 0.469 -9.655 1.00 0.00 C ATOM 139 CG HIS A 907 15.836 1.197 -10.549 1.00 0.00 C ATOM 140 ND1 HIS A 907 15.457 1.781 -11.740 1.00 0.00 N ATOM 141 CD2 HIS A 907 17.163 1.435 -10.422 1.00 0.00 C ATOM 142 CE1 HIS A 907 16.510 2.345 -12.306 1.00 0.00 C ATOM 143 NE2 HIS A 907 17.557 2.151 -11.526 1.00 0.00 N ATOM 0 H HIS A 907 16.554 -1.373 -9.706 1.00 0.00 H new ATOM 0 HA HIS A 907 15.966 0.702 -7.808 1.00 0.00 H new ATOM 0 HB2 HIS A 907 14.419 -0.343 -10.217 1.00 0.00 H new ATOM 0 HB3 HIS A 907 14.079 1.150 -9.366 1.00 0.00 H new ATOM 0 HD2 HIS A 907 17.794 1.120 -9.604 1.00 0.00 H new ATOM 0 HE1 HIS A 907 16.513 2.875 -13.247 1.00 0.00 H new ATOM 0 HE2 HIS A 907 18.504 2.479 -11.713 1.00 0.00 H new ATOM 152 N PHE A 908 14.188 -0.213 -6.371 1.00 0.00 N ATOM 153 CA PHE A 908 13.181 -0.754 -5.466 1.00 0.00 C ATOM 154 C PHE A 908 11.801 -0.234 -5.836 1.00 0.00 C ATOM 155 O PHE A 908 11.604 0.970 -6.002 1.00 0.00 O ATOM 156 CB PHE A 908 13.519 -0.395 -4.017 1.00 0.00 C ATOM 157 CG PHE A 908 14.693 -1.152 -3.460 1.00 0.00 C ATOM 158 CD1 PHE A 908 15.613 -1.761 -4.301 1.00 0.00 C ATOM 159 CD2 PHE A 908 14.871 -1.262 -2.090 1.00 0.00 C ATOM 160 CE1 PHE A 908 16.689 -2.459 -3.787 1.00 0.00 C ATOM 161 CE2 PHE A 908 15.945 -1.959 -1.570 1.00 0.00 C ATOM 162 CZ PHE A 908 16.855 -2.558 -2.420 1.00 0.00 C ATOM 0 H PHE A 908 14.654 0.627 -6.029 1.00 0.00 H new ATOM 0 HA PHE A 908 13.177 -1.840 -5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 908 13.726 0.673 -3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 908 12.646 -0.586 -3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 908 15.487 -1.689 -5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 908 14.162 -0.797 -1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 908 17.399 -2.926 -4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 908 16.073 -2.035 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.695 -3.103 -2.015 1.00 0.00 H new ATOM 172 N LEU A 909 10.853 -1.149 -5.978 1.00 0.00 N ATOM 173 CA LEU A 909 9.494 -0.784 -6.348 1.00 0.00 C ATOM 174 C LEU A 909 8.607 -0.642 -5.128 1.00 0.00 C ATOM 175 O LEU A 909 7.387 -0.791 -5.210 1.00 0.00 O ATOM 176 CB LEU A 909 8.921 -1.837 -7.277 1.00 0.00 C ATOM 177 CG LEU A 909 9.870 -2.278 -8.381 1.00 0.00 C ATOM 178 CD1 LEU A 909 9.205 -3.339 -9.225 1.00 0.00 C ATOM 179 CD2 LEU A 909 10.300 -1.088 -9.226 1.00 0.00 C ATOM 0 H LEU A 909 11.000 -2.149 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 909 9.527 0.181 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 909 8.637 -2.709 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 909 8.010 -1.448 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 909 10.769 -2.703 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 909 9.886 -3.654 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 909 8.953 -4.196 -8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 909 8.296 -2.934 -9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 909 10.978 -1.425 -10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 909 9.422 -0.627 -9.679 1.00 0.00 H new ATOM 0 HD23 LEU A 909 10.808 -0.358 -8.595 1.00 0.00 H new ATOM 191 N PHE A 910 9.221 -0.340 -4.000 1.00 0.00 N ATOM 192 CA PHE A 910 8.484 -0.164 -2.768 1.00 0.00 C ATOM 193 C PHE A 910 9.248 0.758 -1.830 1.00 0.00 C ATOM 194 O PHE A 910 8.813 1.021 -0.710 1.00 0.00 O ATOM 195 CB PHE A 910 8.204 -1.517 -2.101 1.00 0.00 C ATOM 196 CG PHE A 910 9.432 -2.335 -1.804 1.00 0.00 C ATOM 197 CD1 PHE A 910 10.331 -1.940 -0.826 1.00 0.00 C ATOM 198 CD2 PHE A 910 9.673 -3.512 -2.493 1.00 0.00 C ATOM 199 CE1 PHE A 910 11.451 -2.701 -0.547 1.00 0.00 C ATOM 200 CE2 PHE A 910 10.790 -4.277 -2.217 1.00 0.00 C ATOM 201 CZ PHE A 910 11.680 -3.871 -1.243 1.00 0.00 C ATOM 0 H PHE A 910 10.229 -0.212 -3.914 1.00 0.00 H new ATOM 0 HA PHE A 910 7.523 0.296 -2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.665 -1.343 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 910 7.545 -2.097 -2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 910 10.155 -1.028 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 910 8.980 -3.836 -3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 910 12.146 -2.380 0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 910 10.967 -5.192 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 910 12.554 -4.468 -1.026 1.00 0.00 H new ATOM 211 N ALA A 911 10.392 1.245 -2.304 1.00 0.00 N ATOM 212 CA ALA A 911 11.225 2.146 -1.516 1.00 0.00 C ATOM 213 C ALA A 911 12.138 2.982 -2.407 1.00 0.00 C ATOM 214 O ALA A 911 12.817 2.453 -3.286 1.00 0.00 O ATOM 215 CB ALA A 911 12.047 1.355 -0.512 1.00 0.00 C ATOM 0 H ALA A 911 10.762 1.030 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 911 10.567 2.829 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 911 12.665 2.038 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.380 0.810 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.687 0.649 -1.041 1.00 0.00 H new ATOM 221 N LYS A 912 12.159 4.290 -2.169 1.00 0.00 N ATOM 222 CA LYS A 912 12.999 5.195 -2.945 1.00 0.00 C ATOM 223 C LYS A 912 14.253 5.581 -2.165 1.00 0.00 C ATOM 224 O LYS A 912 14.185 5.883 -0.973 1.00 0.00 O ATOM 225 CB LYS A 912 12.217 6.452 -3.332 1.00 0.00 C ATOM 226 CG LYS A 912 11.641 7.204 -2.143 1.00 0.00 C ATOM 227 CD LYS A 912 10.850 8.428 -2.581 1.00 0.00 C ATOM 228 CE LYS A 912 9.647 8.045 -3.430 1.00 0.00 C ATOM 229 NZ LYS A 912 8.868 9.239 -3.861 1.00 0.00 N ATOM 0 H LYS A 912 11.604 4.746 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 912 13.304 4.674 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 912 12.873 7.120 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 912 11.404 6.172 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 912 10.995 6.539 -1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 912 12.450 7.511 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 912 10.515 8.979 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 912 11.498 9.096 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 912 9.983 7.495 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 912 9.001 7.375 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 8.057 8.935 -4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 8.525 9.751 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 9.477 9.866 -4.424 1.00 0.00 H new ATOM 243 N LEU A 913 15.393 5.569 -2.851 1.00 0.00 N ATOM 244 CA LEU A 913 16.671 5.919 -2.238 1.00 0.00 C ATOM 245 C LEU A 913 16.568 7.214 -1.437 1.00 0.00 C ATOM 246 O LEU A 913 15.687 8.039 -1.681 1.00 0.00 O ATOM 247 CB LEU A 913 17.754 6.060 -3.309 1.00 0.00 C ATOM 248 CG LEU A 913 19.133 6.468 -2.786 1.00 0.00 C ATOM 249 CD1 LEU A 913 19.698 5.398 -1.861 1.00 0.00 C ATOM 250 CD2 LEU A 913 20.081 6.733 -3.941 1.00 0.00 C ATOM 0 H LEU A 913 15.457 5.319 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 913 16.941 5.114 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 913 17.848 5.110 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.426 6.799 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 913 19.024 7.388 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.679 5.709 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 913 19.027 5.259 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 913 19.793 4.459 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 913 21.057 7.022 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 913 20.183 5.830 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 913 19.684 7.538 -4.560 1.00 0.00 H new ATOM 262 N LYS A 914 17.476 7.383 -0.480 1.00 0.00 N ATOM 263 CA LYS A 914 17.494 8.574 0.361 1.00 0.00 C ATOM 264 C LYS A 914 18.926 8.965 0.717 1.00 0.00 C ATOM 265 O LYS A 914 19.255 10.148 0.799 1.00 0.00 O ATOM 266 CB LYS A 914 16.689 8.330 1.636 1.00 0.00 C ATOM 267 CG LYS A 914 15.207 8.109 1.382 1.00 0.00 C ATOM 268 CD LYS A 914 14.526 9.355 0.836 1.00 0.00 C ATOM 269 CE LYS A 914 14.413 10.446 1.889 1.00 0.00 C ATOM 270 NZ LYS A 914 15.739 10.999 2.278 1.00 0.00 N ATOM 0 H LYS A 914 18.210 6.708 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 914 17.041 9.393 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 914 17.095 7.460 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 914 16.812 9.183 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 914 15.079 7.288 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 914 14.722 7.809 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 914 15.089 9.732 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 914 13.531 9.096 0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 914 13.784 11.251 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 914 13.917 10.044 2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 15.628 11.989 2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 16.130 10.442 3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 16.387 10.952 1.466 1.00 0.00 H new ATOM 284 N THR A 915 19.772 7.961 0.922 1.00 0.00 N ATOM 285 CA THR A 915 21.172 8.192 1.262 1.00 0.00 C ATOM 286 C THR A 915 21.914 8.886 0.126 1.00 0.00 C ATOM 287 O THR A 915 21.719 8.560 -1.047 1.00 0.00 O ATOM 288 CB THR A 915 21.891 6.870 1.598 1.00 0.00 C ATOM 289 OG1 THR A 915 21.417 6.358 2.848 1.00 0.00 O ATOM 290 CG2 THR A 915 23.401 7.063 1.658 1.00 0.00 C ATOM 0 H THR A 915 19.512 6.977 0.858 1.00 0.00 H new ATOM 0 HA THR A 915 21.179 8.839 2.140 1.00 0.00 H new ATOM 0 HB THR A 915 21.670 6.155 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 915 22.069 5.722 3.209 1.00 0.00 H new ATOM 0 HG21 THR A 915 23.880 6.113 1.897 1.00 0.00 H new ATOM 0 HG22 THR A 915 23.761 7.418 0.692 1.00 0.00 H new ATOM 0 HG23 THR A 915 23.644 7.796 2.428 1.00 0.00 H new ATOM 298 N GLN A 916 22.774 9.836 0.483 1.00 0.00 N ATOM 299 CA GLN A 916 23.557 10.569 -0.504 1.00 0.00 C ATOM 300 C GLN A 916 24.408 9.612 -1.329 1.00 0.00 C ATOM 301 O GLN A 916 25.024 8.692 -0.790 1.00 0.00 O ATOM 302 CB GLN A 916 24.434 11.620 0.186 1.00 0.00 C ATOM 303 CG GLN A 916 25.285 11.065 1.319 1.00 0.00 C ATOM 304 CD GLN A 916 26.559 10.382 0.849 1.00 0.00 C ATOM 305 OE1 GLN A 916 27.263 9.755 1.641 1.00 0.00 O ATOM 306 NE2 GLN A 916 26.879 10.515 -0.434 1.00 0.00 N ATOM 0 H GLN A 916 22.945 10.115 1.449 1.00 0.00 H new ATOM 0 HA GLN A 916 22.873 11.083 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 916 25.088 12.077 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 916 23.795 12.411 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 916 25.548 11.878 1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 916 24.691 10.352 1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 916 26.270 11.042 -1.060 1.00 0.00 H new ATOM 0 HE22 GLN A 916 27.734 10.090 -0.793 1.00 0.00 H new ATOM 315 N THR A 917 24.433 9.831 -2.641 1.00 0.00 N ATOM 316 CA THR A 917 25.202 8.984 -3.547 1.00 0.00 C ATOM 317 C THR A 917 25.632 9.764 -4.785 1.00 0.00 C ATOM 318 O THR A 917 24.869 10.568 -5.321 1.00 0.00 O ATOM 319 CB THR A 917 24.394 7.749 -3.996 1.00 0.00 C ATOM 320 OG1 THR A 917 23.223 8.162 -4.711 1.00 0.00 O ATOM 321 CG2 THR A 917 23.988 6.891 -2.807 1.00 0.00 C ATOM 0 H THR A 917 23.929 10.589 -3.101 1.00 0.00 H new ATOM 0 HA THR A 917 26.081 8.651 -2.996 1.00 0.00 H new ATOM 0 HB THR A 917 25.031 7.152 -4.648 1.00 0.00 H new ATOM 0 HG1 THR A 917 22.717 7.372 -4.994 1.00 0.00 H new ATOM 0 HG21 THR A 917 23.420 6.029 -3.157 1.00 0.00 H new ATOM 0 HG22 THR A 917 24.881 6.549 -2.283 1.00 0.00 H new ATOM 0 HG23 THR A 917 23.372 7.479 -2.127 1.00 0.00 H new ATOM 329 N THR A 918 26.860 9.521 -5.235 1.00 0.00 N ATOM 330 CA THR A 918 27.397 10.199 -6.411 1.00 0.00 C ATOM 331 C THR A 918 28.547 9.395 -7.015 1.00 0.00 C ATOM 332 O THR A 918 29.651 9.907 -7.209 1.00 0.00 O ATOM 333 CB THR A 918 27.890 11.621 -6.063 1.00 0.00 C ATOM 334 OG1 THR A 918 26.864 12.338 -5.367 1.00 0.00 O ATOM 335 CG2 THR A 918 28.273 12.388 -7.321 1.00 0.00 C ATOM 0 H THR A 918 27.503 8.858 -4.802 1.00 0.00 H new ATOM 0 HA THR A 918 26.590 10.279 -7.139 1.00 0.00 H new ATOM 0 HB THR A 918 28.771 11.527 -5.428 1.00 0.00 H new ATOM 0 HG1 THR A 918 25.988 11.973 -5.610 1.00 0.00 H new ATOM 0 HG21 THR A 918 28.617 13.386 -7.048 1.00 0.00 H new ATOM 0 HG22 THR A 918 29.072 11.859 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 918 27.405 12.469 -7.976 1.00 0.00 H new ATOM 343 N ALA A 919 28.278 8.125 -7.299 1.00 0.00 N ATOM 344 CA ALA A 919 29.279 7.234 -7.869 1.00 0.00 C ATOM 345 C ALA A 919 28.637 5.941 -8.357 1.00 0.00 C ATOM 346 O ALA A 919 27.585 5.536 -7.863 1.00 0.00 O ATOM 347 CB ALA A 919 30.358 6.934 -6.842 1.00 0.00 C ATOM 0 H ALA A 919 27.369 7.689 -7.142 1.00 0.00 H new ATOM 0 HA ALA A 919 29.736 7.731 -8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 919 31.101 6.267 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 919 30.839 7.863 -6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 919 29.909 6.456 -5.971 1.00 0.00 H new ATOM 353 N SER A 920 29.272 5.295 -9.330 1.00 0.00 N ATOM 354 CA SER A 920 28.751 4.048 -9.879 1.00 0.00 C ATOM 355 C SER A 920 29.182 2.864 -9.020 1.00 0.00 C ATOM 356 O SER A 920 28.357 2.036 -8.633 1.00 0.00 O ATOM 357 CB SER A 920 29.237 3.855 -11.317 1.00 0.00 C ATOM 358 OG SER A 920 30.651 3.804 -11.377 1.00 0.00 O ATOM 0 H SER A 920 30.144 5.613 -9.753 1.00 0.00 H new ATOM 0 HA SER A 920 27.662 4.102 -9.879 1.00 0.00 H new ATOM 0 HB2 SER A 920 28.820 2.934 -11.724 1.00 0.00 H new ATOM 0 HB3 SER A 920 28.873 4.672 -11.939 1.00 0.00 H new ATOM 0 HG SER A 920 30.953 2.889 -11.197 1.00 0.00 H new ATOM 364 N ASP A 921 30.473 2.795 -8.714 1.00 0.00 N ATOM 365 CA ASP A 921 31.002 1.718 -7.887 1.00 0.00 C ATOM 366 C ASP A 921 30.851 2.065 -6.409 1.00 0.00 C ATOM 367 O ASP A 921 31.314 3.113 -5.961 1.00 0.00 O ATOM 368 CB ASP A 921 32.473 1.463 -8.218 1.00 0.00 C ATOM 369 CG ASP A 921 32.686 1.080 -9.670 1.00 0.00 C ATOM 370 OD1 ASP A 921 31.690 1.009 -10.419 1.00 0.00 O ATOM 371 OD2 ASP A 921 33.851 0.851 -10.058 1.00 0.00 O ATOM 0 H ASP A 921 31.171 3.471 -9.026 1.00 0.00 H new ATOM 0 HA ASP A 921 30.435 0.811 -8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 921 33.053 2.358 -7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 921 32.853 0.668 -7.577 1.00 0.00 H new ATOM 376 N PHE A 922 30.196 1.186 -5.656 1.00 0.00 N ATOM 377 CA PHE A 922 29.985 1.418 -4.232 1.00 0.00 C ATOM 378 C PHE A 922 30.923 0.574 -3.375 1.00 0.00 C ATOM 379 O PHE A 922 31.122 -0.613 -3.633 1.00 0.00 O ATOM 380 CB PHE A 922 28.533 1.135 -3.848 1.00 0.00 C ATOM 381 CG PHE A 922 27.565 2.130 -4.416 1.00 0.00 C ATOM 382 CD1 PHE A 922 27.298 2.165 -5.775 1.00 0.00 C ATOM 383 CD2 PHE A 922 26.922 3.033 -3.586 1.00 0.00 C ATOM 384 CE1 PHE A 922 26.408 3.085 -6.296 1.00 0.00 C ATOM 385 CE2 PHE A 922 26.032 3.954 -4.099 1.00 0.00 C ATOM 386 CZ PHE A 922 25.774 3.981 -5.457 1.00 0.00 C ATOM 0 H PHE A 922 29.804 0.312 -6.006 1.00 0.00 H new ATOM 0 HA PHE A 922 30.208 2.468 -4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 922 28.261 0.137 -4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.446 1.133 -2.762 1.00 0.00 H new ATOM 0 HD1 PHE A 922 27.791 1.466 -6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.120 3.016 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 922 26.208 3.103 -7.357 1.00 0.00 H new ATOM 0 HE2 PHE A 922 25.538 4.653 -3.441 1.00 0.00 H new ATOM 0 HZ PHE A 922 25.078 4.701 -5.861 1.00 0.00 H new ATOM 396 N PRO A 923 31.507 1.186 -2.330 1.00 0.00 N ATOM 397 CA PRO A 923 32.424 0.496 -1.416 1.00 0.00 C ATOM 398 C PRO A 923 31.693 -0.483 -0.501 1.00 0.00 C ATOM 399 O PRO A 923 30.609 -0.185 -0.003 1.00 0.00 O ATOM 400 CB PRO A 923 33.029 1.638 -0.598 1.00 0.00 C ATOM 401 CG PRO A 923 31.986 2.701 -0.611 1.00 0.00 C ATOM 402 CD PRO A 923 31.311 2.601 -1.951 1.00 0.00 C ATOM 0 HA PRO A 923 33.162 -0.104 -1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 923 33.258 1.319 0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.961 1.991 -1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.270 2.556 0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.431 3.686 -0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.253 2.857 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 923 31.760 3.277 -2.678 1.00 0.00 H new ATOM 410 N ILE A 924 32.293 -1.650 -0.283 1.00 0.00 N ATOM 411 CA ILE A 924 31.693 -2.665 0.576 1.00 0.00 C ATOM 412 C ILE A 924 31.441 -2.110 1.975 1.00 0.00 C ATOM 413 O ILE A 924 32.056 -1.125 2.382 1.00 0.00 O ATOM 414 CB ILE A 924 32.574 -3.921 0.679 1.00 0.00 C ATOM 415 CG1 ILE A 924 33.027 -4.371 -0.713 1.00 0.00 C ATOM 416 CG2 ILE A 924 31.798 -5.031 1.370 1.00 0.00 C ATOM 417 CD1 ILE A 924 33.961 -5.562 -0.694 1.00 0.00 C ATOM 0 H ILE A 924 33.191 -1.915 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 924 30.744 -2.946 0.119 1.00 0.00 H new ATOM 0 HB ILE A 924 33.462 -3.688 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 924 32.148 -4.619 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 924 33.525 -3.538 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 924 32.423 -5.921 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 924 31.511 -4.706 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 924 30.903 -5.263 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 924 34.239 -5.823 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 924 34.858 -5.312 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 924 33.460 -6.410 -0.227 1.00 0.00 H new ATOM 429 N GLY A 925 30.521 -2.739 2.700 1.00 0.00 N ATOM 430 CA GLY A 925 30.186 -2.282 4.035 1.00 0.00 C ATOM 431 C GLY A 925 29.172 -1.160 3.994 1.00 0.00 C ATOM 432 O GLY A 925 28.237 -1.122 4.796 1.00 0.00 O ATOM 0 H GLY A 925 30.001 -3.558 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 925 29.788 -3.113 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 925 31.089 -1.941 4.542 1.00 0.00 H new ATOM 436 N THR A 926 29.355 -0.253 3.042 1.00 0.00 N ATOM 437 CA THR A 926 28.453 0.876 2.863 1.00 0.00 C ATOM 438 C THR A 926 27.015 0.402 2.669 1.00 0.00 C ATOM 439 O THR A 926 26.762 -0.551 1.934 1.00 0.00 O ATOM 440 CB THR A 926 28.876 1.725 1.650 1.00 0.00 C ATOM 441 OG1 THR A 926 30.124 2.374 1.916 1.00 0.00 O ATOM 442 CG2 THR A 926 27.819 2.762 1.314 1.00 0.00 C ATOM 0 H THR A 926 30.128 -0.279 2.377 1.00 0.00 H new ATOM 0 HA THR A 926 28.508 1.485 3.765 1.00 0.00 H new ATOM 0 HB THR A 926 28.989 1.060 0.794 1.00 0.00 H new ATOM 0 HG1 THR A 926 30.084 3.301 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 926 28.144 3.347 0.454 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.880 2.261 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 926 27.673 3.423 2.168 1.00 0.00 H new ATOM 450 N SER A 927 26.078 1.073 3.330 1.00 0.00 N ATOM 451 CA SER A 927 24.668 0.716 3.223 1.00 0.00 C ATOM 452 C SER A 927 23.837 1.907 2.760 1.00 0.00 C ATOM 453 O SER A 927 23.966 3.010 3.292 1.00 0.00 O ATOM 454 CB SER A 927 24.146 0.212 4.571 1.00 0.00 C ATOM 455 OG SER A 927 24.868 -0.929 5.003 1.00 0.00 O ATOM 0 H SER A 927 26.268 1.865 3.944 1.00 0.00 H new ATOM 0 HA SER A 927 24.576 -0.078 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 927 24.230 1.003 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 927 23.088 -0.034 4.486 1.00 0.00 H new ATOM 0 HG SER A 927 25.827 -0.727 5.007 1.00 0.00 H new ATOM 461 N LEU A 928 22.984 1.678 1.766 1.00 0.00 N ATOM 462 CA LEU A 928 22.131 2.735 1.235 1.00 0.00 C ATOM 463 C LEU A 928 20.736 2.661 1.848 1.00 0.00 C ATOM 464 O LEU A 928 20.112 1.600 1.869 1.00 0.00 O ATOM 465 CB LEU A 928 22.044 2.636 -0.288 1.00 0.00 C ATOM 466 CG LEU A 928 23.376 2.791 -1.027 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.167 2.673 -2.528 1.00 0.00 C ATOM 468 CD2 LEU A 928 24.027 4.123 -0.682 1.00 0.00 C ATOM 0 H LEU A 928 22.865 0.772 1.313 1.00 0.00 H new ATOM 0 HA LEU A 928 22.574 3.695 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 928 21.612 1.670 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.356 3.401 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 928 24.043 1.990 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 928 24.123 2.785 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 928 22.744 1.696 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 928 22.483 3.453 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 928 24.972 4.215 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 928 23.364 4.938 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 928 24.211 4.171 0.391 1.00 0.00 H new ATOM 480 N LYS A 929 20.262 3.792 2.356 1.00 0.00 N ATOM 481 CA LYS A 929 18.947 3.861 2.985 1.00 0.00 C ATOM 482 C LYS A 929 17.840 4.091 1.959 1.00 0.00 C ATOM 483 O LYS A 929 17.975 4.920 1.056 1.00 0.00 O ATOM 484 CB LYS A 929 18.925 4.973 4.034 1.00 0.00 C ATOM 485 CG LYS A 929 17.627 5.042 4.823 1.00 0.00 C ATOM 486 CD LYS A 929 17.671 6.128 5.886 1.00 0.00 C ATOM 487 CE LYS A 929 18.789 5.890 6.888 1.00 0.00 C ATOM 488 NZ LYS A 929 18.839 6.954 7.928 1.00 0.00 N ATOM 0 H LYS A 929 20.770 4.677 2.345 1.00 0.00 H new ATOM 0 HA LYS A 929 18.760 2.901 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 929 19.753 4.824 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 929 19.091 5.930 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 929 16.797 5.233 4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 929 17.437 4.078 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 929 17.810 7.098 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 929 16.715 6.164 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 929 18.647 4.921 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 929 19.744 5.850 6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 19.615 6.755 8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 19.000 7.876 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 17.937 6.976 8.446 1.00 0.00 H new ATOM 502 N TYR A 930 16.738 3.360 2.118 1.00 0.00 N ATOM 503 CA TYR A 930 15.591 3.486 1.223 1.00 0.00 C ATOM 504 C TYR A 930 14.292 3.554 2.017 1.00 0.00 C ATOM 505 O TYR A 930 13.999 2.669 2.821 1.00 0.00 O ATOM 506 CB TYR A 930 15.519 2.305 0.249 1.00 0.00 C ATOM 507 CG TYR A 930 16.604 2.286 -0.803 1.00 0.00 C ATOM 508 CD1 TYR A 930 17.934 2.081 -0.461 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.292 2.459 -2.146 1.00 0.00 C ATOM 510 CE1 TYR A 930 18.922 2.055 -1.426 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.273 2.432 -3.117 1.00 0.00 C ATOM 512 CZ TYR A 930 18.587 2.230 -2.752 1.00 0.00 C ATOM 513 OH TYR A 930 19.567 2.205 -3.716 1.00 0.00 O ATOM 0 H TYR A 930 16.616 2.672 2.861 1.00 0.00 H new ATOM 0 HA TYR A 930 15.720 4.409 0.657 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.569 1.378 0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.549 2.321 -0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 930 18.200 1.940 0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.264 2.617 -2.435 1.00 0.00 H new ATOM 0 HE1 TYR A 930 19.952 1.898 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.013 2.568 -4.156 1.00 0.00 H new ATOM 0 HH TYR A 930 19.162 2.343 -4.598 1.00 0.00 H new ATOM 523 N GLU A 931 13.510 4.600 1.777 1.00 0.00 N ATOM 524 CA GLU A 931 12.234 4.770 2.461 1.00 0.00 C ATOM 525 C GLU A 931 11.098 4.226 1.603 1.00 0.00 C ATOM 526 O GLU A 931 11.055 4.465 0.397 1.00 0.00 O ATOM 527 CB GLU A 931 11.989 6.246 2.784 1.00 0.00 C ATOM 528 CG GLU A 931 13.014 6.838 3.737 1.00 0.00 C ATOM 529 CD GLU A 931 12.751 8.298 4.048 1.00 0.00 C ATOM 530 OE1 GLU A 931 11.765 8.851 3.516 1.00 0.00 O ATOM 531 OE2 GLU A 931 13.532 8.890 4.823 1.00 0.00 O ATOM 0 H GLU A 931 13.737 5.342 1.115 1.00 0.00 H new ATOM 0 HA GLU A 931 12.268 4.211 3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 931 11.995 6.818 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 931 10.995 6.354 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 931 13.012 6.267 4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 931 14.009 6.737 3.302 1.00 0.00 H new ATOM 538 N CYS A 932 10.181 3.493 2.227 1.00 0.00 N ATOM 539 CA CYS A 932 9.050 2.914 1.511 1.00 0.00 C ATOM 540 C CYS A 932 8.321 3.978 0.691 1.00 0.00 C ATOM 541 O CYS A 932 8.425 5.171 0.971 1.00 0.00 O ATOM 542 CB CYS A 932 8.078 2.244 2.486 1.00 0.00 C ATOM 543 SG CYS A 932 8.805 0.884 3.461 1.00 0.00 S ATOM 0 H CYS A 932 10.199 3.286 3.226 1.00 0.00 H new ATOM 0 HA CYS A 932 9.438 2.158 0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 932 7.691 2.999 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.228 1.858 1.924 1.00 0.00 H new ATOM 548 N ARG A 933 7.587 3.533 -0.324 1.00 0.00 N ATOM 549 CA ARG A 933 6.843 4.442 -1.191 1.00 0.00 C ATOM 550 C ARG A 933 5.537 4.862 -0.521 1.00 0.00 C ATOM 551 O ARG A 933 5.075 4.197 0.403 1.00 0.00 O ATOM 552 CB ARG A 933 6.538 3.765 -2.532 1.00 0.00 C ATOM 553 CG ARG A 933 7.774 3.320 -3.297 1.00 0.00 C ATOM 554 CD ARG A 933 7.401 2.646 -4.611 1.00 0.00 C ATOM 555 NE ARG A 933 6.669 3.545 -5.500 1.00 0.00 N ATOM 556 CZ ARG A 933 7.172 4.674 -5.994 1.00 0.00 C ATOM 557 NH1 ARG A 933 8.416 5.034 -5.705 1.00 0.00 N ATOM 558 NH2 ARG A 933 6.433 5.442 -6.782 1.00 0.00 N ATOM 0 H ARG A 933 7.491 2.547 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 933 7.454 5.327 -1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 933 5.903 2.898 -2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 933 5.968 4.455 -3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 933 8.410 4.182 -3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 933 8.354 2.630 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 933 8.306 2.300 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 933 6.793 1.765 -4.406 1.00 0.00 H new ATOM 0 HE ARG A 933 5.715 3.292 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 933 8.990 4.445 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 933 8.798 5.900 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 933 5.477 5.168 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 933 6.820 6.307 -7.160 1.00 0.00 H new ATOM 572 N PRO A 934 4.931 5.983 -0.971 1.00 0.00 N ATOM 573 CA PRO A 934 3.672 6.491 -0.405 1.00 0.00 C ATOM 574 C PRO A 934 2.494 5.558 -0.673 1.00 0.00 C ATOM 575 O PRO A 934 1.529 5.934 -1.337 1.00 0.00 O ATOM 576 CB PRO A 934 3.465 7.828 -1.120 1.00 0.00 C ATOM 577 CG PRO A 934 4.241 7.708 -2.386 1.00 0.00 C ATOM 578 CD PRO A 934 5.427 6.844 -2.062 1.00 0.00 C ATOM 0 HA PRO A 934 3.726 6.579 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 934 2.409 8.010 -1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 934 3.823 8.660 -0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 934 3.636 7.261 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 934 4.558 8.688 -2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 934 5.745 6.258 -2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 934 6.284 7.439 -1.747 1.00 0.00 H new ATOM 586 N GLU A 935 2.587 4.344 -0.138 1.00 0.00 N ATOM 587 CA GLU A 935 1.559 3.323 -0.290 1.00 0.00 C ATOM 588 C GLU A 935 1.774 2.231 0.748 1.00 0.00 C ATOM 589 O GLU A 935 0.825 1.602 1.204 1.00 0.00 O ATOM 590 CB GLU A 935 1.592 2.701 -1.693 1.00 0.00 C ATOM 591 CG GLU A 935 1.163 3.642 -2.806 1.00 0.00 C ATOM 592 CD GLU A 935 1.135 2.967 -4.163 1.00 0.00 C ATOM 593 OE1 GLU A 935 0.377 1.989 -4.324 1.00 0.00 O ATOM 594 OE2 GLU A 935 1.873 3.418 -5.066 1.00 0.00 O ATOM 0 H GLU A 935 3.386 4.040 0.418 1.00 0.00 H new ATOM 0 HA GLU A 935 0.587 3.795 -0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 935 2.604 2.352 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 935 0.944 1.825 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 935 0.173 4.037 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 935 1.845 4.492 -2.841 1.00 0.00 H new ATOM 601 N TYR A 936 3.038 2.016 1.113 1.00 0.00 N ATOM 602 CA TYR A 936 3.396 1.004 2.103 1.00 0.00 C ATOM 603 C TYR A 936 3.741 1.662 3.439 1.00 0.00 C ATOM 604 O TYR A 936 3.650 2.882 3.578 1.00 0.00 O ATOM 605 CB TYR A 936 4.589 0.174 1.614 1.00 0.00 C ATOM 606 CG TYR A 936 4.405 -0.425 0.235 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.296 0.384 -0.891 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.353 -1.802 0.058 1.00 0.00 C ATOM 609 CE1 TYR A 936 4.137 -0.162 -2.150 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.196 -2.355 -1.199 1.00 0.00 C ATOM 611 CZ TYR A 936 4.087 -1.531 -2.298 1.00 0.00 C ATOM 612 OH TYR A 936 3.930 -2.079 -3.552 1.00 0.00 O ATOM 0 H TYR A 936 3.833 2.532 0.735 1.00 0.00 H new ATOM 0 HA TYR A 936 2.538 0.346 2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.478 0.805 1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 936 4.774 -0.631 2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 936 4.336 1.457 -0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 936 4.437 -2.451 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 936 4.052 0.481 -3.014 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.159 -3.428 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 936 3.916 -3.056 -3.482 1.00 0.00 H new ATOM 622 N TYR A 937 4.147 0.852 4.415 1.00 0.00 N ATOM 623 CA TYR A 937 4.517 1.370 5.731 1.00 0.00 C ATOM 624 C TYR A 937 5.570 0.490 6.398 1.00 0.00 C ATOM 625 O TYR A 937 5.601 0.356 7.622 1.00 0.00 O ATOM 626 CB TYR A 937 3.275 1.505 6.627 1.00 0.00 C ATOM 627 CG TYR A 937 2.501 0.216 6.854 1.00 0.00 C ATOM 628 CD1 TYR A 937 3.054 -0.849 7.557 1.00 0.00 C ATOM 629 CD2 TYR A 937 1.207 0.074 6.370 1.00 0.00 C ATOM 630 CE1 TYR A 937 2.341 -2.013 7.771 1.00 0.00 C ATOM 631 CE2 TYR A 937 0.488 -1.089 6.579 1.00 0.00 C ATOM 632 CZ TYR A 937 1.060 -2.129 7.279 1.00 0.00 C ATOM 633 OH TYR A 937 0.347 -3.286 7.491 1.00 0.00 O ATOM 0 H TYR A 937 4.228 -0.160 4.321 1.00 0.00 H new ATOM 0 HA TYR A 937 4.952 2.359 5.591 1.00 0.00 H new ATOM 0 HB2 TYR A 937 3.585 1.900 7.595 1.00 0.00 H new ATOM 0 HB3 TYR A 937 2.604 2.240 6.183 1.00 0.00 H new ATOM 0 HD1 TYR A 937 4.059 -0.765 7.943 1.00 0.00 H new ATOM 0 HD2 TYR A 937 0.754 0.886 5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 937 2.786 -2.828 8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -0.517 -1.182 6.195 1.00 0.00 H new ATOM 0 HH TYR A 937 -0.539 -3.204 7.080 1.00 0.00 H new ATOM 643 N GLY A 938 6.436 -0.099 5.586 1.00 0.00 N ATOM 644 CA GLY A 938 7.482 -0.960 6.112 1.00 0.00 C ATOM 645 C GLY A 938 8.633 -0.194 6.733 1.00 0.00 C ATOM 646 O GLY A 938 9.757 -0.693 6.770 1.00 0.00 O ATOM 0 H GLY A 938 6.435 0.002 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 938 7.053 -1.626 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 938 7.865 -1.588 5.308 1.00 0.00 H new ATOM 650 N ARG A 939 8.336 1.007 7.230 1.00 0.00 N ATOM 651 CA ARG A 939 9.323 1.879 7.877 1.00 0.00 C ATOM 652 C ARG A 939 10.634 1.980 7.082 1.00 0.00 C ATOM 653 O ARG A 939 10.884 1.203 6.162 1.00 0.00 O ATOM 654 CB ARG A 939 9.594 1.406 9.310 1.00 0.00 C ATOM 655 CG ARG A 939 10.277 0.056 9.404 1.00 0.00 C ATOM 656 CD ARG A 939 10.536 -0.329 10.848 1.00 0.00 C ATOM 657 NE ARG A 939 9.298 -0.467 11.609 1.00 0.00 N ATOM 658 CZ ARG A 939 9.255 -0.797 12.897 1.00 0.00 C ATOM 659 NH1 ARG A 939 10.379 -1.021 13.565 1.00 0.00 N ATOM 660 NH2 ARG A 939 8.088 -0.902 13.518 1.00 0.00 N ATOM 0 H ARG A 939 7.398 1.407 7.196 1.00 0.00 H new ATOM 0 HA ARG A 939 8.895 2.881 7.905 1.00 0.00 H new ATOM 0 HB2 ARG A 939 10.212 2.149 9.814 1.00 0.00 H new ATOM 0 HB3 ARG A 939 8.648 1.360 9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 939 9.655 -0.703 8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 939 11.220 0.084 8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 939 11.087 -1.269 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 939 11.167 0.426 11.317 1.00 0.00 H new ATOM 0 HE ARG A 939 8.415 -0.301 11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 939 11.279 -0.940 13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 939 10.344 -1.274 14.553 1.00 0.00 H new ATOM 0 HH21 ARG A 939 7.222 -0.730 13.008 1.00 0.00 H new ATOM 0 HH22 ARG A 939 8.057 -1.155 14.506 1.00 0.00 H new ATOM 674 N PRO A 940 11.494 2.961 7.421 1.00 0.00 N ATOM 675 CA PRO A 940 12.772 3.157 6.730 1.00 0.00 C ATOM 676 C PRO A 940 13.752 2.017 6.985 1.00 0.00 C ATOM 677 O PRO A 940 13.781 1.441 8.073 1.00 0.00 O ATOM 678 CB PRO A 940 13.306 4.465 7.317 1.00 0.00 C ATOM 679 CG PRO A 940 12.647 4.582 8.644 1.00 0.00 C ATOM 680 CD PRO A 940 11.292 3.952 8.494 1.00 0.00 C ATOM 0 HA PRO A 940 12.645 3.185 5.648 1.00 0.00 H new ATOM 0 HB2 PRO A 940 14.391 4.441 7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 940 13.063 5.314 6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 940 13.229 4.076 9.414 1.00 0.00 H new ATOM 0 HG3 PRO A 940 12.560 5.626 8.945 1.00 0.00 H new ATOM 0 HD2 PRO A 940 10.963 3.480 9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 940 10.534 4.688 8.224 1.00 0.00 H new ATOM 688 N PHE A 941 14.555 1.698 5.975 1.00 0.00 N ATOM 689 CA PHE A 941 15.541 0.629 6.085 1.00 0.00 C ATOM 690 C PHE A 941 16.798 0.988 5.306 1.00 0.00 C ATOM 691 O PHE A 941 17.015 2.151 4.974 1.00 0.00 O ATOM 692 CB PHE A 941 14.950 -0.688 5.568 1.00 0.00 C ATOM 693 CG PHE A 941 14.588 -0.662 4.108 1.00 0.00 C ATOM 694 CD1 PHE A 941 15.545 -0.917 3.137 1.00 0.00 C ATOM 695 CD2 PHE A 941 13.290 -0.392 3.709 1.00 0.00 C ATOM 696 CE1 PHE A 941 15.213 -0.900 1.797 1.00 0.00 C ATOM 697 CE2 PHE A 941 12.953 -0.372 2.368 1.00 0.00 C ATOM 698 CZ PHE A 941 13.916 -0.627 1.412 1.00 0.00 C ATOM 0 H PHE A 941 14.542 2.166 5.069 1.00 0.00 H new ATOM 0 HA PHE A 941 15.808 0.504 7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 941 15.668 -1.490 5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 941 14.059 -0.928 6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 941 16.561 -1.131 3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 941 12.532 -0.195 4.453 1.00 0.00 H new ATOM 0 HE1 PHE A 941 15.968 -1.100 1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 941 11.938 -0.157 2.069 1.00 0.00 H new ATOM 0 HZ PHE A 941 13.655 -0.613 0.364 1.00 0.00 H new ATOM 708 N SER A 942 17.618 -0.014 5.009 1.00 0.00 N ATOM 709 CA SER A 942 18.856 0.202 4.265 1.00 0.00 C ATOM 710 C SER A 942 19.479 -1.125 3.842 1.00 0.00 C ATOM 711 O SER A 942 19.545 -2.070 4.628 1.00 0.00 O ATOM 712 CB SER A 942 19.865 0.987 5.115 1.00 0.00 C ATOM 713 OG SER A 942 19.364 2.260 5.479 1.00 0.00 O ATOM 0 H SER A 942 17.449 -0.985 5.272 1.00 0.00 H new ATOM 0 HA SER A 942 18.609 0.777 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 942 20.103 0.419 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 942 20.794 1.107 4.558 1.00 0.00 H new ATOM 0 HG SER A 942 18.518 2.425 5.012 1.00 0.00 H new ATOM 719 N ILE A 943 19.940 -1.182 2.595 1.00 0.00 N ATOM 720 CA ILE A 943 20.566 -2.387 2.064 1.00 0.00 C ATOM 721 C ILE A 943 22.077 -2.343 2.247 1.00 0.00 C ATOM 722 O ILE A 943 22.751 -1.430 1.767 1.00 0.00 O ATOM 723 CB ILE A 943 20.236 -2.583 0.572 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.386 -1.260 -0.186 1.00 0.00 C ATOM 725 CG2 ILE A 943 18.832 -3.143 0.412 1.00 0.00 C ATOM 726 CD1 ILE A 943 20.100 -1.370 -1.668 1.00 0.00 C ATOM 0 H ILE A 943 19.891 -0.407 1.934 1.00 0.00 H new ATOM 0 HA ILE A 943 20.162 -3.230 2.625 1.00 0.00 H new ATOM 0 HB ILE A 943 20.940 -3.299 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 943 19.712 -0.523 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.400 -0.886 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 943 18.612 -3.276 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 943 18.764 -4.105 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 943 18.112 -2.450 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 943 20.227 -0.394 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 943 20.791 -2.082 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 943 19.076 -1.714 -1.816 1.00 0.00 H new ATOM 738 N THR A 944 22.597 -3.332 2.965 1.00 0.00 N ATOM 739 CA THR A 944 24.023 -3.421 3.245 1.00 0.00 C ATOM 740 C THR A 944 24.815 -4.030 2.090 1.00 0.00 C ATOM 741 O THR A 944 24.565 -5.166 1.687 1.00 0.00 O ATOM 742 CB THR A 944 24.271 -4.260 4.514 1.00 0.00 C ATOM 743 OG1 THR A 944 23.862 -3.527 5.675 1.00 0.00 O ATOM 744 CG2 THR A 944 25.734 -4.657 4.640 1.00 0.00 C ATOM 0 H THR A 944 22.045 -4.090 3.367 1.00 0.00 H new ATOM 0 HA THR A 944 24.371 -2.398 3.390 1.00 0.00 H new ATOM 0 HB THR A 944 23.680 -5.172 4.434 1.00 0.00 H new ATOM 0 HG1 THR A 944 24.132 -2.589 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 944 25.874 -5.248 5.545 1.00 0.00 H new ATOM 0 HG22 THR A 944 26.027 -5.248 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 944 26.351 -3.760 4.693 1.00 0.00 H new ATOM 752 N CYS A 945 25.811 -3.292 1.601 1.00 0.00 N ATOM 753 CA CYS A 945 26.678 -3.798 0.543 1.00 0.00 C ATOM 754 C CYS A 945 27.606 -4.834 1.156 1.00 0.00 C ATOM 755 O CYS A 945 28.527 -4.493 1.898 1.00 0.00 O ATOM 756 CB CYS A 945 27.475 -2.661 -0.094 1.00 0.00 C ATOM 757 SG CYS A 945 28.830 -3.207 -1.183 1.00 0.00 S ATOM 0 H CYS A 945 26.035 -2.349 1.919 1.00 0.00 H new ATOM 0 HA CYS A 945 26.081 -4.253 -0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 945 26.794 -2.034 -0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 945 27.891 -2.037 0.698 1.00 0.00 H new ATOM 762 N LEU A 946 27.321 -6.098 0.898 1.00 0.00 N ATOM 763 CA LEU A 946 28.093 -7.185 1.486 1.00 0.00 C ATOM 764 C LEU A 946 29.396 -7.489 0.753 1.00 0.00 C ATOM 765 O LEU A 946 29.604 -7.093 -0.393 1.00 0.00 O ATOM 766 CB LEU A 946 27.215 -8.421 1.614 1.00 0.00 C ATOM 767 CG LEU A 946 25.959 -8.184 2.454 1.00 0.00 C ATOM 768 CD1 LEU A 946 25.034 -9.385 2.426 1.00 0.00 C ATOM 769 CD2 LEU A 946 26.342 -7.838 3.883 1.00 0.00 C ATOM 0 H LEU A 946 26.562 -6.400 0.287 1.00 0.00 H new ATOM 0 HA LEU A 946 28.406 -6.856 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 946 26.921 -8.754 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 946 27.797 -9.227 2.061 1.00 0.00 H new ATOM 0 HG LEU A 946 25.418 -7.344 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 946 24.153 -9.180 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 946 24.728 -9.585 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 946 25.555 -10.255 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 946 25.440 -7.671 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 946 26.911 -8.660 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 946 26.950 -6.934 3.888 1.00 0.00 H new ATOM 781 N ASP A 947 30.271 -8.184 1.476 1.00 0.00 N ATOM 782 CA ASP A 947 31.598 -8.572 1.004 1.00 0.00 C ATOM 783 C ASP A 947 31.607 -9.065 -0.442 1.00 0.00 C ATOM 784 O ASP A 947 32.461 -8.661 -1.231 1.00 0.00 O ATOM 785 CB ASP A 947 32.144 -9.669 1.915 1.00 0.00 C ATOM 786 CG ASP A 947 33.562 -10.080 1.565 1.00 0.00 C ATOM 787 OD1 ASP A 947 34.151 -9.474 0.645 1.00 0.00 O ATOM 788 OD2 ASP A 947 34.088 -11.006 2.217 1.00 0.00 O ATOM 0 H ASP A 947 30.073 -8.500 2.426 1.00 0.00 H new ATOM 0 HA ASP A 947 32.224 -7.680 1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 947 32.117 -9.323 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 947 31.493 -10.541 1.854 1.00 0.00 H new ATOM 793 N ASN A 948 30.683 -9.955 -0.784 1.00 0.00 N ATOM 794 CA ASN A 948 30.638 -10.504 -2.136 1.00 0.00 C ATOM 795 C ASN A 948 29.916 -9.574 -3.106 1.00 0.00 C ATOM 796 O ASN A 948 29.174 -10.023 -3.981 1.00 0.00 O ATOM 797 CB ASN A 948 29.997 -11.898 -2.143 1.00 0.00 C ATOM 798 CG ASN A 948 28.658 -11.960 -1.430 1.00 0.00 C ATOM 799 OD1 ASN A 948 28.014 -13.009 -1.395 1.00 0.00 O ATOM 800 ND2 ASN A 948 28.228 -10.846 -0.851 1.00 0.00 N ATOM 0 H ASN A 948 29.963 -10.309 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 948 31.669 -10.596 -2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 948 29.864 -12.221 -3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 948 30.681 -12.605 -1.674 1.00 0.00 H new ATOM 0 HD21 ASN A 948 27.336 -10.840 -0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 948 28.789 -9.996 -0.901 1.00 0.00 H new ATOM 807 N LEU A 949 30.182 -8.277 -2.967 1.00 0.00 N ATOM 808 CA LEU A 949 29.608 -7.262 -3.845 1.00 0.00 C ATOM 809 C LEU A 949 28.113 -7.466 -4.063 1.00 0.00 C ATOM 810 O LEU A 949 27.661 -7.630 -5.197 1.00 0.00 O ATOM 811 CB LEU A 949 30.334 -7.281 -5.187 1.00 0.00 C ATOM 812 CG LEU A 949 31.857 -7.237 -5.084 1.00 0.00 C ATOM 813 CD1 LEU A 949 32.490 -7.321 -6.464 1.00 0.00 C ATOM 814 CD2 LEU A 949 32.307 -5.977 -4.362 1.00 0.00 C ATOM 0 H LEU A 949 30.799 -7.902 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 949 29.736 -6.294 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 949 30.045 -8.181 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 949 29.998 -6.430 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 949 32.187 -8.099 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 949 33.575 -7.288 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 949 32.196 -8.255 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 949 32.153 -6.480 -7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 949 33.395 -5.963 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 949 31.965 -5.100 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 949 31.884 -5.963 -3.357 1.00 0.00 H new ATOM 826 N VAL A 950 27.349 -7.448 -2.983 1.00 0.00 N ATOM 827 CA VAL A 950 25.907 -7.626 -3.079 1.00 0.00 C ATOM 828 C VAL A 950 25.169 -6.632 -2.203 1.00 0.00 C ATOM 829 O VAL A 950 25.722 -5.615 -1.780 1.00 0.00 O ATOM 830 CB VAL A 950 25.483 -9.038 -2.652 1.00 0.00 C ATOM 831 CG1 VAL A 950 26.102 -10.086 -3.552 1.00 0.00 C ATOM 832 CG2 VAL A 950 25.864 -9.280 -1.205 1.00 0.00 C ATOM 0 H VAL A 950 27.699 -7.313 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 950 25.649 -7.464 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 950 24.400 -9.117 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 950 25.785 -11.077 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 950 25.779 -9.920 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 950 27.188 -10.016 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 950 25.559 -10.284 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 950 26.944 -9.181 -1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 950 25.364 -8.549 -0.570 1.00 0.00 H new ATOM 842 N TRP A 951 23.917 -6.956 -1.921 1.00 0.00 N ATOM 843 CA TRP A 951 23.070 -6.121 -1.087 1.00 0.00 C ATOM 844 C TRP A 951 22.046 -6.978 -0.366 1.00 0.00 C ATOM 845 O TRP A 951 21.273 -7.696 -1.002 1.00 0.00 O ATOM 846 CB TRP A 951 22.333 -5.072 -1.932 1.00 0.00 C ATOM 847 CG TRP A 951 23.238 -4.142 -2.683 1.00 0.00 C ATOM 848 CD1 TRP A 951 23.826 -4.365 -3.898 1.00 0.00 C ATOM 849 CD2 TRP A 951 23.667 -2.844 -2.264 1.00 0.00 C ATOM 850 NE1 TRP A 951 24.586 -3.278 -4.260 1.00 0.00 N ATOM 851 CE2 TRP A 951 24.505 -2.332 -3.272 1.00 0.00 C ATOM 852 CE3 TRP A 951 23.420 -2.066 -1.134 1.00 0.00 C ATOM 853 CZ2 TRP A 951 25.096 -1.075 -3.180 1.00 0.00 C ATOM 854 CZ3 TRP A 951 24.005 -0.819 -1.042 1.00 0.00 C ATOM 855 CH2 TRP A 951 24.835 -0.333 -2.060 1.00 0.00 C ATOM 0 H TRP A 951 23.461 -7.802 -2.263 1.00 0.00 H new ATOM 0 HA TRP A 951 23.707 -5.612 -0.363 1.00 0.00 H new ATOM 0 HB2 TRP A 951 21.686 -5.584 -2.644 1.00 0.00 H new ATOM 0 HB3 TRP A 951 21.687 -4.484 -1.279 1.00 0.00 H new ATOM 0 HD1 TRP A 951 23.710 -5.263 -4.486 1.00 0.00 H new ATOM 0 HE1 TRP A 951 25.123 -3.190 -5.123 1.00 0.00 H new ATOM 0 HE3 TRP A 951 22.782 -2.433 -0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 25.737 -0.699 -3.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 23.820 -0.208 -0.171 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.278 0.647 -1.959 1.00 0.00 H new ATOM 866 N SER A 952 22.043 -6.897 0.961 1.00 0.00 N ATOM 867 CA SER A 952 21.102 -7.663 1.768 1.00 0.00 C ATOM 868 C SER A 952 19.726 -7.629 1.117 1.00 0.00 C ATOM 869 O SER A 952 19.299 -6.591 0.610 1.00 0.00 O ATOM 870 CB SER A 952 21.036 -7.102 3.190 1.00 0.00 C ATOM 871 OG SER A 952 20.610 -5.750 3.187 1.00 0.00 O ATOM 0 H SER A 952 22.681 -6.310 1.499 1.00 0.00 H new ATOM 0 HA SER A 952 21.442 -8.697 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 952 20.350 -7.701 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 952 22.017 -7.176 3.659 1.00 0.00 H new ATOM 0 HG SER A 952 20.575 -5.416 4.108 1.00 0.00 H new ATOM 877 N SER A 953 19.050 -8.770 1.096 1.00 0.00 N ATOM 878 CA SER A 953 17.744 -8.859 0.460 1.00 0.00 C ATOM 879 C SER A 953 16.635 -8.304 1.348 1.00 0.00 C ATOM 880 O SER A 953 16.279 -8.900 2.366 1.00 0.00 O ATOM 881 CB SER A 953 17.432 -10.309 0.104 1.00 0.00 C ATOM 882 OG SER A 953 16.179 -10.419 -0.549 1.00 0.00 O ATOM 0 H SER A 953 19.382 -9.641 1.509 1.00 0.00 H new ATOM 0 HA SER A 953 17.783 -8.253 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 953 18.217 -10.705 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 953 17.427 -10.916 1.010 1.00 0.00 H new ATOM 0 HG SER A 953 16.005 -11.358 -0.767 1.00 0.00 H new ATOM 888 N PRO A 954 16.055 -7.160 0.949 1.00 0.00 N ATOM 889 CA PRO A 954 14.968 -6.522 1.666 1.00 0.00 C ATOM 890 C PRO A 954 13.619 -7.011 1.152 1.00 0.00 C ATOM 891 O PRO A 954 12.767 -6.219 0.748 1.00 0.00 O ATOM 892 CB PRO A 954 15.178 -5.043 1.348 1.00 0.00 C ATOM 893 CG PRO A 954 15.892 -5.008 0.027 1.00 0.00 C ATOM 894 CD PRO A 954 16.399 -6.402 -0.262 1.00 0.00 C ATOM 0 HA PRO A 954 14.966 -6.735 2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 954 14.226 -4.516 1.292 1.00 0.00 H new ATOM 0 HB3 PRO A 954 15.767 -4.556 2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 954 15.218 -4.675 -0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 954 16.720 -4.300 0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 954 15.923 -6.825 -1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 954 17.474 -6.407 -0.445 1.00 0.00 H new ATOM 902 N LYS A 955 13.451 -8.329 1.151 1.00 0.00 N ATOM 903 CA LYS A 955 12.228 -8.953 0.662 1.00 0.00 C ATOM 904 C LYS A 955 11.090 -8.806 1.663 1.00 0.00 C ATOM 905 O LYS A 955 11.263 -9.048 2.858 1.00 0.00 O ATOM 906 CB LYS A 955 12.489 -10.434 0.381 1.00 0.00 C ATOM 907 CG LYS A 955 11.294 -11.175 -0.196 1.00 0.00 C ATOM 908 CD LYS A 955 10.876 -10.620 -1.552 1.00 0.00 C ATOM 909 CE LYS A 955 11.884 -10.955 -2.644 1.00 0.00 C ATOM 910 NZ LYS A 955 13.204 -10.304 -2.416 1.00 0.00 N ATOM 0 H LYS A 955 14.152 -8.989 1.486 1.00 0.00 H new ATOM 0 HA LYS A 955 11.930 -8.449 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 955 13.326 -10.519 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 955 12.792 -10.921 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 955 11.538 -12.233 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 955 10.456 -11.106 0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 955 9.901 -11.024 -1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 955 10.765 -9.538 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 955 12.018 -12.036 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 955 11.488 -10.640 -3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 13.616 -10.024 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 13.077 -9.461 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 13.843 -10.972 -1.938 1.00 0.00 H new ATOM 924 N ASP A 956 9.927 -8.398 1.161 1.00 0.00 N ATOM 925 CA ASP A 956 8.751 -8.205 2.002 1.00 0.00 C ATOM 926 C ASP A 956 9.082 -7.295 3.168 1.00 0.00 C ATOM 927 O ASP A 956 8.722 -7.567 4.313 1.00 0.00 O ATOM 928 CB ASP A 956 8.218 -9.547 2.505 1.00 0.00 C ATOM 929 CG ASP A 956 7.805 -10.471 1.374 1.00 0.00 C ATOM 930 OD1 ASP A 956 7.931 -10.067 0.200 1.00 0.00 O ATOM 931 OD2 ASP A 956 7.355 -11.600 1.665 1.00 0.00 O ATOM 0 H ASP A 956 9.775 -8.194 0.173 1.00 0.00 H new ATOM 0 HA ASP A 956 7.973 -7.734 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 956 8.984 -10.036 3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 956 7.363 -9.373 3.158 1.00 0.00 H new ATOM 936 N VAL A 957 9.782 -6.214 2.860 1.00 0.00 N ATOM 937 CA VAL A 957 10.183 -5.259 3.860 1.00 0.00 C ATOM 938 C VAL A 957 9.106 -4.199 4.076 1.00 0.00 C ATOM 939 O VAL A 957 8.690 -3.942 5.206 1.00 0.00 O ATOM 940 CB VAL A 957 11.519 -4.625 3.450 1.00 0.00 C ATOM 941 CG1 VAL A 957 11.386 -3.135 3.232 1.00 0.00 C ATOM 942 CG2 VAL A 957 12.583 -4.950 4.477 1.00 0.00 C ATOM 0 H VAL A 957 10.083 -5.982 1.913 1.00 0.00 H new ATOM 0 HA VAL A 957 10.315 -5.774 4.811 1.00 0.00 H new ATOM 0 HB VAL A 957 11.824 -5.052 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 957 12.352 -2.722 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 957 10.660 -2.946 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 957 11.050 -2.661 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 957 13.528 -4.496 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 957 12.283 -4.557 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 957 12.705 -6.031 4.545 1.00 0.00 H new ATOM 952 N CYS A 958 8.649 -3.599 2.984 1.00 0.00 N ATOM 953 CA CYS A 958 7.609 -2.578 3.053 1.00 0.00 C ATOM 954 C CYS A 958 6.225 -3.211 2.964 1.00 0.00 C ATOM 955 O CYS A 958 5.837 -3.734 1.919 1.00 0.00 O ATOM 956 CB CYS A 958 7.783 -1.544 1.935 1.00 0.00 C ATOM 957 SG CYS A 958 9.288 -0.524 2.077 1.00 0.00 S ATOM 0 H CYS A 958 8.981 -3.801 2.041 1.00 0.00 H new ATOM 0 HA CYS A 958 7.703 -2.071 4.014 1.00 0.00 H new ATOM 0 HB2 CYS A 958 7.800 -2.063 0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 958 6.913 -0.887 1.926 1.00 0.00 H new ATOM 962 N LYS A 959 5.482 -3.155 4.063 1.00 0.00 N ATOM 963 CA LYS A 959 4.137 -3.714 4.105 1.00 0.00 C ATOM 964 C LYS A 959 3.141 -2.704 3.547 1.00 0.00 C ATOM 965 O LYS A 959 3.088 -1.565 4.006 1.00 0.00 O ATOM 966 CB LYS A 959 3.776 -4.083 5.543 1.00 0.00 C ATOM 967 CG LYS A 959 4.848 -4.908 6.240 1.00 0.00 C ATOM 968 CD LYS A 959 5.058 -6.248 5.555 1.00 0.00 C ATOM 969 CE LYS A 959 6.177 -7.039 6.210 1.00 0.00 C ATOM 970 NZ LYS A 959 6.373 -8.366 5.563 1.00 0.00 N ATOM 0 H LYS A 959 5.789 -2.728 4.937 1.00 0.00 H new ATOM 0 HA LYS A 959 4.100 -4.615 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 959 3.603 -3.170 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 959 2.840 -4.642 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 959 5.786 -4.353 6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 959 4.564 -5.071 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 959 4.134 -6.825 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 959 5.292 -6.087 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 959 7.104 -6.469 6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 959 5.951 -7.180 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 6.425 -9.104 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 5.574 -8.564 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 7.257 -8.358 5.015 1.00 0.00 H new ATOM 984 N ARG A 960 2.367 -3.107 2.546 1.00 0.00 N ATOM 985 CA ARG A 960 1.407 -2.195 1.933 1.00 0.00 C ATOM 986 C ARG A 960 0.352 -1.717 2.918 1.00 0.00 C ATOM 987 O ARG A 960 -0.247 -2.508 3.647 1.00 0.00 O ATOM 988 CB ARG A 960 0.704 -2.830 0.735 1.00 0.00 C ATOM 989 CG ARG A 960 -0.230 -1.851 0.040 1.00 0.00 C ATOM 990 CD ARG A 960 -0.908 -2.460 -1.172 1.00 0.00 C ATOM 991 NE ARG A 960 0.053 -2.853 -2.199 1.00 0.00 N ATOM 992 CZ ARG A 960 -0.291 -3.414 -3.355 1.00 0.00 C ATOM 993 NH1 ARG A 960 -1.567 -3.654 -3.626 1.00 0.00 N ATOM 994 NH2 ARG A 960 0.642 -3.737 -4.239 1.00 0.00 N ATOM 0 H ARG A 960 2.383 -4.045 2.146 1.00 0.00 H new ATOM 0 HA ARG A 960 1.992 -1.338 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 960 1.449 -3.187 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 960 0.137 -3.700 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 960 -0.989 -1.513 0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 960 0.334 -0.970 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -1.486 -3.332 -0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 960 -1.613 -1.742 -1.591 1.00 0.00 H new ATOM 0 HE ARG A 960 1.044 -2.688 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -2.288 -3.408 -2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 960 -1.828 -4.084 -4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 960 1.624 -3.555 -4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 960 0.378 -4.167 -5.125 1.00 0.00 H new ATOM 1008 N LYS A 961 0.113 -0.412 2.897 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.888 0.211 3.740 1.00 0.00 C ATOM 1010 C LYS A 961 -2.245 -0.440 3.498 1.00 0.00 C ATOM 1011 O LYS A 961 -2.413 -1.198 2.543 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.955 1.705 3.423 1.00 0.00 C ATOM 1013 CG LYS A 961 -1.825 2.495 4.381 1.00 0.00 C ATOM 1014 CD LYS A 961 -1.284 2.424 5.796 1.00 0.00 C ATOM 1015 CE LYS A 961 -2.289 2.963 6.791 1.00 0.00 C ATOM 1016 NZ LYS A 961 -2.596 4.400 6.552 1.00 0.00 N ATOM 0 H LYS A 961 0.611 0.242 2.293 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.619 0.078 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 961 0.054 2.116 3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -1.335 1.835 2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 961 -1.874 3.535 4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 961 -2.843 2.106 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 961 -1.040 1.391 6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 961 -0.358 2.995 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 961 -3.208 2.381 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 961 -1.901 2.839 7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 -3.349 4.706 7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 -1.742 4.970 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 -2.911 4.529 5.569 1.00 0.00 H new ATOM 1030 N SER A 962 -3.212 -0.146 4.355 1.00 0.00 N ATOM 1031 CA SER A 962 -4.543 -0.716 4.206 1.00 0.00 C ATOM 1032 C SER A 962 -5.610 0.227 4.744 1.00 0.00 C ATOM 1033 O SER A 962 -5.473 0.784 5.832 1.00 0.00 O ATOM 1034 CB SER A 962 -4.629 -2.062 4.925 1.00 0.00 C ATOM 1035 OG SER A 962 -3.670 -2.975 4.420 1.00 0.00 O ATOM 0 H SER A 962 -3.102 0.478 5.154 1.00 0.00 H new ATOM 0 HA SER A 962 -4.724 -0.866 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 962 -4.470 -1.917 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 962 -5.629 -2.478 4.805 1.00 0.00 H new ATOM 0 HG SER A 962 -3.746 -3.827 4.898 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.681 0.388 3.975 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.784 1.248 4.375 1.00 0.00 C ATOM 1043 C CYS A 963 -8.676 0.515 5.366 1.00 0.00 C ATOM 1044 O CYS A 963 -8.906 -0.687 5.229 1.00 0.00 O ATOM 1045 CB CYS A 963 -8.606 1.673 3.153 1.00 0.00 C ATOM 1046 SG CYS A 963 -7.668 2.594 1.890 1.00 0.00 S ATOM 0 H CYS A 963 -6.807 -0.067 3.071 1.00 0.00 H new ATOM 0 HA CYS A 963 -7.375 2.141 4.847 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -9.034 0.783 2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -9.440 2.290 3.489 1.00 0.00 H new ATOM 1051 N LYS A 964 -9.177 1.232 6.364 1.00 0.00 N ATOM 1052 CA LYS A 964 -10.041 0.620 7.365 1.00 0.00 C ATOM 1053 C LYS A 964 -11.340 0.163 6.722 1.00 0.00 C ATOM 1054 O LYS A 964 -11.928 0.886 5.917 1.00 0.00 O ATOM 1055 CB LYS A 964 -10.350 1.605 8.492 1.00 0.00 C ATOM 1056 CG LYS A 964 -11.138 0.984 9.636 1.00 0.00 C ATOM 1057 CD LYS A 964 -11.652 2.038 10.601 1.00 0.00 C ATOM 1058 CE LYS A 964 -12.703 2.923 9.949 1.00 0.00 C ATOM 1059 NZ LYS A 964 -13.901 2.146 9.528 1.00 0.00 N ATOM 0 H LYS A 964 -9.002 2.228 6.501 1.00 0.00 H new ATOM 0 HA LYS A 964 -9.519 -0.240 7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -9.414 2.007 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -10.913 2.445 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -11.978 0.418 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -10.505 0.277 10.172 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -12.077 1.553 11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -10.821 2.652 10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -13.004 3.704 10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -12.270 3.421 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -14.669 2.801 9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -13.663 1.561 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -14.209 1.533 10.309 1.00 0.00 H new ATOM 1073 N THR A 965 -11.781 -1.039 7.072 1.00 0.00 N ATOM 1074 CA THR A 965 -13.011 -1.580 6.515 1.00 0.00 C ATOM 1075 C THR A 965 -14.159 -0.592 6.694 1.00 0.00 C ATOM 1076 O THR A 965 -14.483 -0.198 7.814 1.00 0.00 O ATOM 1077 CB THR A 965 -13.390 -2.917 7.176 1.00 0.00 C ATOM 1078 OG1 THR A 965 -12.315 -3.854 7.041 1.00 0.00 O ATOM 1079 CG2 THR A 965 -14.649 -3.491 6.544 1.00 0.00 C ATOM 0 H THR A 965 -11.308 -1.653 7.735 1.00 0.00 H new ATOM 0 HA THR A 965 -12.836 -1.752 5.453 1.00 0.00 H new ATOM 0 HB THR A 965 -13.580 -2.734 8.233 1.00 0.00 H new ATOM 0 HG1 THR A 965 -12.564 -4.701 7.466 1.00 0.00 H new ATOM 0 HG21 THR A 965 -14.900 -4.436 7.026 1.00 0.00 H new ATOM 0 HG22 THR A 965 -15.473 -2.789 6.672 1.00 0.00 H new ATOM 0 HG23 THR A 965 -14.478 -3.660 5.481 1.00 0.00 H new ATOM 1087 N PRO A 966 -14.791 -0.178 5.585 1.00 0.00 N ATOM 1088 CA PRO A 966 -15.909 0.769 5.619 1.00 0.00 C ATOM 1089 C PRO A 966 -17.104 0.217 6.385 1.00 0.00 C ATOM 1090 O PRO A 966 -17.492 -0.935 6.188 1.00 0.00 O ATOM 1091 CB PRO A 966 -16.271 0.955 4.142 1.00 0.00 C ATOM 1092 CG PRO A 966 -15.725 -0.253 3.464 1.00 0.00 C ATOM 1093 CD PRO A 966 -14.472 -0.598 4.211 1.00 0.00 C ATOM 0 HA PRO A 966 -15.639 1.696 6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -17.350 1.032 4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -15.832 1.868 3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -16.439 -1.076 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -15.513 -0.052 2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -14.247 -1.663 4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -13.606 -0.068 3.816 1.00 0.00 H new ATOM 1101 N PRO A 967 -17.718 1.031 7.260 1.00 0.00 N ATOM 1102 CA PRO A 967 -18.882 0.601 8.032 1.00 0.00 C ATOM 1103 C PRO A 967 -20.002 0.138 7.114 1.00 0.00 C ATOM 1104 O PRO A 967 -20.469 0.894 6.261 1.00 0.00 O ATOM 1105 CB PRO A 967 -19.300 1.858 8.808 1.00 0.00 C ATOM 1106 CG PRO A 967 -18.608 2.992 8.128 1.00 0.00 C ATOM 1107 CD PRO A 967 -17.344 2.422 7.553 1.00 0.00 C ATOM 0 HA PRO A 967 -18.660 -0.243 8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -20.382 1.990 8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -19.006 1.789 9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -19.235 3.418 7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -18.389 3.794 8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -17.032 2.955 6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -16.517 2.478 8.260 1.00 0.00 H new ATOM 1115 N ASP A 968 -20.419 -1.111 7.277 1.00 0.00 N ATOM 1116 CA ASP A 968 -21.467 -1.674 6.449 1.00 0.00 C ATOM 1117 C ASP A 968 -22.748 -0.852 6.554 1.00 0.00 C ATOM 1118 O ASP A 968 -23.330 -0.730 7.633 1.00 0.00 O ATOM 1119 CB ASP A 968 -21.729 -3.119 6.865 1.00 0.00 C ATOM 1120 CG ASP A 968 -20.477 -3.977 6.818 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -19.410 -3.451 6.436 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -20.565 -5.174 7.159 1.00 0.00 O ATOM 0 H ASP A 968 -20.044 -1.751 7.977 1.00 0.00 H new ATOM 0 HA ASP A 968 -21.139 -1.652 5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -22.137 -3.134 7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -22.485 -3.550 6.209 1.00 0.00 H new ATOM 1127 N PRO A 969 -23.211 -0.281 5.427 1.00 0.00 N ATOM 1128 CA PRO A 969 -24.434 0.525 5.394 1.00 0.00 C ATOM 1129 C PRO A 969 -25.662 -0.297 5.737 1.00 0.00 C ATOM 1130 O PRO A 969 -25.716 -1.494 5.458 1.00 0.00 O ATOM 1131 CB PRO A 969 -24.506 1.028 3.950 1.00 0.00 C ATOM 1132 CG PRO A 969 -23.676 0.068 3.169 1.00 0.00 C ATOM 1133 CD PRO A 969 -22.584 -0.383 4.096 1.00 0.00 C ATOM 0 HA PRO A 969 -24.411 1.331 6.127 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -25.534 1.047 3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -24.120 2.044 3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -24.274 -0.778 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -23.262 0.544 2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -22.265 -1.402 3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -21.701 0.251 4.017 1.00 0.00 H new ATOM 1141 N VAL A 970 -26.640 0.352 6.349 1.00 0.00 N ATOM 1142 CA VAL A 970 -27.864 -0.308 6.740 1.00 0.00 C ATOM 1143 C VAL A 970 -28.391 -1.192 5.614 1.00 0.00 C ATOM 1144 O VAL A 970 -28.624 -0.722 4.500 1.00 0.00 O ATOM 1145 CB VAL A 970 -28.927 0.733 7.115 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -30.125 0.054 7.731 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -28.348 1.776 8.058 1.00 0.00 C ATOM 0 H VAL A 970 -26.603 1.344 6.585 1.00 0.00 H new ATOM 0 HA VAL A 970 -27.648 -0.936 7.604 1.00 0.00 H new ATOM 0 HB VAL A 970 -29.250 1.245 6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -30.873 0.803 7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -30.551 -0.650 7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -29.818 -0.482 8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -29.118 2.505 8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -27.996 1.289 8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -27.514 2.283 7.572 1.00 0.00 H new ATOM 1157 N ASN A 971 -28.565 -2.477 5.913 1.00 0.00 N ATOM 1158 CA ASN A 971 -29.052 -3.437 4.929 1.00 0.00 C ATOM 1159 C ASN A 971 -28.098 -3.525 3.738 1.00 0.00 C ATOM 1160 O ASN A 971 -28.529 -3.514 2.585 1.00 0.00 O ATOM 1161 CB ASN A 971 -30.453 -3.048 4.450 1.00 0.00 C ATOM 1162 CG ASN A 971 -31.448 -2.951 5.588 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -31.691 -3.925 6.302 1.00 0.00 O ATOM 1164 ND2 ASN A 971 -32.031 -1.770 5.765 1.00 0.00 N ATOM 0 H ASN A 971 -28.375 -2.877 6.832 1.00 0.00 H new ATOM 0 HA ASN A 971 -29.101 -4.415 5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -30.404 -2.090 3.932 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -30.804 -3.784 3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -32.710 -1.644 6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -31.800 -0.990 5.150 1.00 0.00 H new ATOM 1171 N GLY A 972 -26.800 -3.611 4.024 1.00 0.00 N ATOM 1172 CA GLY A 972 -25.812 -3.697 2.962 1.00 0.00 C ATOM 1173 C GLY A 972 -24.390 -3.795 3.483 1.00 0.00 C ATOM 1174 O GLY A 972 -24.024 -3.122 4.445 1.00 0.00 O ATOM 0 H GLY A 972 -26.417 -3.623 4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -26.027 -4.568 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -25.899 -2.820 2.320 1.00 0.00 H new ATOM 1178 N MET A 973 -23.584 -4.636 2.840 1.00 0.00 N ATOM 1179 CA MET A 973 -22.191 -4.824 3.235 1.00 0.00 C ATOM 1180 C MET A 973 -21.275 -4.785 2.015 1.00 0.00 C ATOM 1181 O MET A 973 -21.680 -5.157 0.913 1.00 0.00 O ATOM 1182 CB MET A 973 -22.005 -6.155 3.974 1.00 0.00 C ATOM 1183 CG MET A 973 -22.773 -6.254 5.282 1.00 0.00 C ATOM 1184 SD MET A 973 -24.551 -6.436 5.045 1.00 0.00 S ATOM 1185 CE MET A 973 -24.615 -7.972 4.126 1.00 0.00 C ATOM 0 H MET A 973 -23.873 -5.200 2.041 1.00 0.00 H new ATOM 0 HA MET A 973 -21.925 -4.008 3.907 1.00 0.00 H new ATOM 0 HB2 MET A 973 -22.318 -6.968 3.319 1.00 0.00 H new ATOM 0 HB3 MET A 973 -20.944 -6.300 4.177 1.00 0.00 H new ATOM 0 HG2 MET A 973 -22.399 -7.104 5.852 1.00 0.00 H new ATOM 0 HG3 MET A 973 -22.581 -5.362 5.878 1.00 0.00 H new ATOM 0 HE1 MET A 973 -25.555 -8.482 4.335 1.00 0.00 H new ATOM 0 HE2 MET A 973 -24.546 -7.761 3.059 1.00 0.00 H new ATOM 0 HE3 MET A 973 -23.782 -8.609 4.424 1.00 0.00 H new ATOM 1195 N VAL A 974 -20.039 -4.333 2.217 1.00 0.00 N ATOM 1196 CA VAL A 974 -19.075 -4.252 1.126 1.00 0.00 C ATOM 1197 C VAL A 974 -18.279 -5.543 1.003 1.00 0.00 C ATOM 1198 O VAL A 974 -17.608 -5.970 1.943 1.00 0.00 O ATOM 1199 CB VAL A 974 -18.094 -3.074 1.313 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -17.312 -3.217 2.609 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -17.143 -2.981 0.130 1.00 0.00 C ATOM 0 H VAL A 974 -19.685 -4.019 3.121 1.00 0.00 H new ATOM 0 HA VAL A 974 -19.650 -4.089 0.214 1.00 0.00 H new ATOM 0 HB VAL A 974 -18.677 -2.155 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -16.629 -2.375 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -18.004 -3.233 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -16.742 -4.146 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -16.459 -2.146 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -16.573 -3.907 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -17.715 -2.824 -0.785 1.00 0.00 H new ATOM 1211 N HIS A 975 -18.354 -6.156 -0.168 1.00 0.00 N ATOM 1212 CA HIS A 975 -17.634 -7.389 -0.426 1.00 0.00 C ATOM 1213 C HIS A 975 -16.198 -7.095 -0.831 1.00 0.00 C ATOM 1214 O HIS A 975 -15.942 -6.392 -1.815 1.00 0.00 O ATOM 1215 CB HIS A 975 -18.357 -8.204 -1.503 1.00 0.00 C ATOM 1216 CG HIS A 975 -17.474 -8.748 -2.583 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -16.479 -9.675 -2.356 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -17.449 -8.488 -3.908 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -15.881 -9.962 -3.499 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -16.452 -9.255 -4.456 1.00 0.00 N ATOM 0 H HIS A 975 -18.908 -5.817 -0.955 1.00 0.00 H new ATOM 0 HA HIS A 975 -17.606 -7.980 0.489 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -18.873 -9.035 -1.023 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -19.121 -7.576 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -18.094 -7.803 -4.438 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -15.064 -10.657 -3.628 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -16.194 -9.275 -5.443 1.00 0.00 H new ATOM 1229 N VAL A 976 -15.265 -7.641 -0.066 1.00 0.00 N ATOM 1230 CA VAL A 976 -13.853 -7.454 -0.337 1.00 0.00 C ATOM 1231 C VAL A 976 -13.408 -8.412 -1.432 1.00 0.00 C ATOM 1232 O VAL A 976 -13.779 -9.587 -1.428 1.00 0.00 O ATOM 1233 CB VAL A 976 -13.014 -7.664 0.934 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -11.548 -7.345 0.672 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -13.569 -6.811 2.065 1.00 0.00 C ATOM 0 H VAL A 976 -15.464 -8.219 0.750 1.00 0.00 H new ATOM 0 HA VAL A 976 -13.698 -6.429 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 976 -13.074 -8.712 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -10.973 -7.500 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -11.168 -8.000 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -11.453 -6.306 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -12.971 -6.964 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -13.533 -5.760 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -14.602 -7.098 2.264 1.00 0.00 H new ATOM 1245 N ILE A 977 -12.642 -7.902 -2.384 1.00 0.00 N ATOM 1246 CA ILE A 977 -12.185 -8.711 -3.504 1.00 0.00 C ATOM 1247 C ILE A 977 -11.079 -9.676 -3.091 1.00 0.00 C ATOM 1248 O ILE A 977 -11.180 -10.881 -3.323 1.00 0.00 O ATOM 1249 CB ILE A 977 -11.681 -7.813 -4.650 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -12.717 -6.728 -4.971 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -11.368 -8.643 -5.883 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -14.115 -7.254 -5.232 1.00 0.00 C ATOM 0 H ILE A 977 -12.324 -6.933 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 977 -13.039 -9.296 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 977 -10.760 -7.325 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -12.756 -6.023 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -12.382 -6.171 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -11.014 -7.990 -6.681 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -10.596 -9.374 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -12.269 -9.161 -6.211 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -14.782 -6.420 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -14.095 -7.935 -6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -14.474 -7.785 -4.351 1.00 0.00 H new ATOM 1264 N THR A 978 -10.028 -9.148 -2.474 1.00 0.00 N ATOM 1265 CA THR A 978 -8.912 -9.975 -2.026 1.00 0.00 C ATOM 1266 C THR A 978 -8.291 -9.407 -0.764 1.00 0.00 C ATOM 1267 O THR A 978 -8.111 -10.108 0.232 1.00 0.00 O ATOM 1268 CB THR A 978 -7.806 -10.067 -3.094 1.00 0.00 C ATOM 1269 OG1 THR A 978 -7.285 -8.763 -3.376 1.00 0.00 O ATOM 1270 CG2 THR A 978 -8.331 -10.688 -4.374 1.00 0.00 C ATOM 0 H THR A 978 -9.925 -8.153 -2.273 1.00 0.00 H new ATOM 0 HA THR A 978 -9.321 -10.968 -1.836 1.00 0.00 H new ATOM 0 HB THR A 978 -7.012 -10.702 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 978 -6.581 -8.832 -4.055 1.00 0.00 H new ATOM 0 HG21 THR A 978 -7.528 -10.740 -5.109 1.00 0.00 H new ATOM 0 HG22 THR A 978 -8.699 -11.693 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 978 -9.144 -10.078 -4.767 1.00 0.00 H new ATOM 1278 N ASP A 979 -7.953 -8.129 -0.829 1.00 0.00 N ATOM 1279 CA ASP A 979 -7.329 -7.433 0.283 1.00 0.00 C ATOM 1280 C ASP A 979 -7.658 -5.948 0.219 1.00 0.00 C ATOM 1281 O ASP A 979 -7.666 -5.360 -0.860 1.00 0.00 O ATOM 1282 CB ASP A 979 -5.812 -7.626 0.228 1.00 0.00 C ATOM 1283 CG ASP A 979 -5.379 -9.059 0.480 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -5.642 -9.922 -0.382 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -4.777 -9.316 1.543 1.00 0.00 O ATOM 0 H ASP A 979 -8.103 -7.547 -1.653 1.00 0.00 H new ATOM 0 HA ASP A 979 -7.712 -7.843 1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -5.448 -7.310 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -5.343 -6.977 0.967 1.00 0.00 H new ATOM 1290 N ILE A 980 -7.936 -5.343 1.367 1.00 0.00 N ATOM 1291 CA ILE A 980 -8.270 -3.925 1.403 1.00 0.00 C ATOM 1292 C ILE A 980 -7.023 -3.056 1.540 1.00 0.00 C ATOM 1293 O ILE A 980 -7.056 -1.997 2.168 1.00 0.00 O ATOM 1294 CB ILE A 980 -9.254 -3.601 2.546 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -8.705 -4.091 3.888 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -10.613 -4.225 2.260 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -9.628 -3.811 5.056 1.00 0.00 C ATOM 0 H ILE A 980 -7.937 -5.806 2.276 1.00 0.00 H new ATOM 0 HA ILE A 980 -8.752 -3.697 0.452 1.00 0.00 H new ATOM 0 HB ILE A 980 -9.374 -2.519 2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -8.524 -5.164 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -7.742 -3.615 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -11.300 -3.990 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -11.007 -3.826 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -10.506 -5.307 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -9.176 -4.185 5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -9.790 -2.737 5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -10.583 -4.310 4.893 1.00 0.00 H new ATOM 1309 N GLN A 981 -5.928 -3.501 0.926 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.675 -2.753 0.955 1.00 0.00 C ATOM 1311 C GLN A 981 -4.696 -1.635 -0.081 1.00 0.00 C ATOM 1312 O GLN A 981 -5.361 -1.746 -1.110 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.476 -3.670 0.700 1.00 0.00 C ATOM 1314 CG GLN A 981 -3.166 -4.614 1.849 1.00 0.00 C ATOM 1315 CD GLN A 981 -1.893 -5.405 1.626 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -1.794 -6.196 0.687 1.00 0.00 O ATOM 1317 NE2 GLN A 981 -0.906 -5.191 2.489 1.00 0.00 N ATOM 0 H GLN A 981 -5.884 -4.376 0.403 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.573 -2.319 1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.665 -4.257 -0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.598 -3.056 0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -3.076 -4.040 2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -3.999 -5.304 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -1.031 -4.526 3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -0.023 -5.691 2.388 1.00 0.00 H new ATOM 1326 N VAL A 982 -3.964 -0.563 0.199 1.00 0.00 N ATOM 1327 CA VAL A 982 -3.892 0.577 -0.707 1.00 0.00 C ATOM 1328 C VAL A 982 -3.467 0.143 -2.108 1.00 0.00 C ATOM 1329 O VAL A 982 -2.277 0.074 -2.416 1.00 0.00 O ATOM 1330 CB VAL A 982 -2.913 1.643 -0.175 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -2.689 2.741 -1.201 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -3.425 2.224 1.133 1.00 0.00 C ATOM 0 H VAL A 982 -3.410 -0.459 1.049 1.00 0.00 H new ATOM 0 HA VAL A 982 -4.891 1.010 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 982 -1.953 1.161 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -1.995 3.479 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -2.273 2.309 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -3.639 3.224 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -2.724 2.975 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -4.399 2.686 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -3.520 1.428 1.872 1.00 0.00 H new ATOM 1342 N GLY A 983 -4.454 -0.150 -2.951 1.00 0.00 N ATOM 1343 CA GLY A 983 -4.171 -0.572 -4.308 1.00 0.00 C ATOM 1344 C GLY A 983 -5.377 -1.186 -4.995 1.00 0.00 C ATOM 1345 O GLY A 983 -5.699 -0.833 -6.130 1.00 0.00 O ATOM 0 H GLY A 983 -5.445 -0.102 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -3.826 0.285 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -3.357 -1.297 -4.296 1.00 0.00 H new ATOM 1349 N SER A 984 -6.042 -2.114 -4.311 1.00 0.00 N ATOM 1350 CA SER A 984 -7.213 -2.782 -4.868 1.00 0.00 C ATOM 1351 C SER A 984 -8.459 -1.915 -4.743 1.00 0.00 C ATOM 1352 O SER A 984 -8.372 -0.701 -4.564 1.00 0.00 O ATOM 1353 CB SER A 984 -7.442 -4.115 -4.158 1.00 0.00 C ATOM 1354 OG SER A 984 -7.729 -3.912 -2.788 1.00 0.00 O ATOM 0 H SER A 984 -5.789 -2.419 -3.371 1.00 0.00 H new ATOM 0 HA SER A 984 -7.025 -2.958 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 984 -8.267 -4.647 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 984 -6.557 -4.743 -4.260 1.00 0.00 H new ATOM 0 HG SER A 984 -7.396 -4.673 -2.268 1.00 0.00 H new ATOM 1360 N ARG A 985 -9.619 -2.554 -4.835 1.00 0.00 N ATOM 1361 CA ARG A 985 -10.895 -1.855 -4.735 1.00 0.00 C ATOM 1362 C ARG A 985 -11.980 -2.772 -4.178 1.00 0.00 C ATOM 1363 O ARG A 985 -12.110 -3.921 -4.595 1.00 0.00 O ATOM 1364 CB ARG A 985 -11.315 -1.334 -6.109 1.00 0.00 C ATOM 1365 CG ARG A 985 -11.409 -2.427 -7.160 1.00 0.00 C ATOM 1366 CD ARG A 985 -11.830 -1.874 -8.511 1.00 0.00 C ATOM 1367 NE ARG A 985 -10.921 -0.836 -8.992 1.00 0.00 N ATOM 1368 CZ ARG A 985 -9.639 -1.048 -9.279 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -9.115 -2.259 -9.150 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -8.880 -0.045 -9.702 1.00 0.00 N ATOM 0 H ARG A 985 -9.702 -3.560 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 985 -10.769 -1.016 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -12.282 -0.838 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -10.599 -0.582 -6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -10.444 -2.924 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -12.126 -3.182 -6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -11.868 -2.686 -9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -12.838 -1.465 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 985 -11.291 0.107 -9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -9.695 -3.034 -8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -8.132 -2.415 -9.371 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -9.279 0.888 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -7.897 -0.207 -9.922 1.00 0.00 H new ATOM 1384 N ILE A 986 -12.759 -2.250 -3.238 1.00 0.00 N ATOM 1385 CA ILE A 986 -13.843 -3.011 -2.623 1.00 0.00 C ATOM 1386 C ILE A 986 -15.181 -2.685 -3.274 1.00 0.00 C ATOM 1387 O ILE A 986 -15.494 -1.519 -3.517 1.00 0.00 O ATOM 1388 CB ILE A 986 -13.943 -2.723 -1.115 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -14.113 -1.221 -0.879 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -12.712 -3.252 -0.395 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -14.328 -0.856 0.572 1.00 0.00 C ATOM 0 H ILE A 986 -12.660 -1.299 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 986 -13.613 -4.066 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 986 -14.817 -3.235 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.229 -0.701 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -14.960 -0.864 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -12.796 -3.042 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -12.636 -4.329 -0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -11.821 -2.765 -0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -14.440 0.224 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -15.229 -1.347 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -13.470 -1.182 1.160 1.00 0.00 H new ATOM 1403 N THR A 987 -15.974 -3.716 -3.545 1.00 0.00 N ATOM 1404 CA THR A 987 -17.283 -3.520 -4.155 1.00 0.00 C ATOM 1405 C THR A 987 -18.390 -3.641 -3.124 1.00 0.00 C ATOM 1406 O THR A 987 -18.385 -4.547 -2.294 1.00 0.00 O ATOM 1407 CB THR A 987 -17.538 -4.510 -5.302 1.00 0.00 C ATOM 1408 OG1 THR A 987 -17.036 -5.806 -4.960 1.00 0.00 O ATOM 1409 CG2 THR A 987 -16.890 -4.018 -6.583 1.00 0.00 C ATOM 0 H THR A 987 -15.735 -4.689 -3.353 1.00 0.00 H new ATOM 0 HA THR A 987 -17.286 -2.511 -4.568 1.00 0.00 H new ATOM 0 HB THR A 987 -18.614 -4.582 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 987 -17.206 -6.428 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 987 -17.081 -4.732 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 987 -17.308 -3.048 -6.853 1.00 0.00 H new ATOM 0 HG23 THR A 987 -15.815 -3.920 -6.433 1.00 0.00 H new ATOM 1417 N TYR A 988 -19.337 -2.715 -3.180 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.453 -2.706 -2.243 1.00 0.00 C ATOM 1419 C TYR A 988 -21.680 -3.392 -2.835 1.00 0.00 C ATOM 1420 O TYR A 988 -21.953 -3.277 -4.031 1.00 0.00 O ATOM 1421 CB TYR A 988 -20.805 -1.272 -1.836 1.00 0.00 C ATOM 1422 CG TYR A 988 -19.696 -0.550 -1.099 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.465 -0.316 -1.702 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -19.881 -0.105 0.204 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.454 0.341 -1.028 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -18.874 0.553 0.884 1.00 0.00 C ATOM 1427 CZ TYR A 988 -17.664 0.773 0.264 1.00 0.00 C ATOM 1428 OH TYR A 988 -16.659 1.429 0.938 1.00 0.00 O ATOM 0 H TYR A 988 -19.355 -1.959 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 988 -20.143 -3.261 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.062 -0.704 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -21.693 -1.292 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.297 -0.654 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -20.828 -0.276 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.504 0.515 -1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -19.035 0.893 1.896 1.00 0.00 H new ATOM 0 HH TYR A 988 -17.031 1.874 1.728 1.00 0.00 H new ATOM 1438 N SER A 989 -22.420 -4.097 -1.986 1.00 0.00 N ATOM 1439 CA SER A 989 -23.624 -4.797 -2.416 1.00 0.00 C ATOM 1440 C SER A 989 -24.643 -4.847 -1.283 1.00 0.00 C ATOM 1441 O SER A 989 -24.364 -5.372 -0.205 1.00 0.00 O ATOM 1442 CB SER A 989 -23.282 -6.215 -2.876 1.00 0.00 C ATOM 1443 OG SER A 989 -24.443 -6.908 -3.300 1.00 0.00 O ATOM 0 H SER A 989 -22.206 -4.199 -0.994 1.00 0.00 H new ATOM 0 HA SER A 989 -24.057 -4.252 -3.254 1.00 0.00 H new ATOM 0 HB2 SER A 989 -22.562 -6.172 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 989 -22.807 -6.760 -2.061 1.00 0.00 H new ATOM 0 HG SER A 989 -24.197 -7.811 -3.591 1.00 0.00 H new ATOM 1449 N CYS A 990 -25.820 -4.283 -1.532 1.00 0.00 N ATOM 1450 CA CYS A 990 -26.880 -4.249 -0.531 1.00 0.00 C ATOM 1451 C CYS A 990 -27.681 -5.545 -0.523 1.00 0.00 C ATOM 1452 O CYS A 990 -28.293 -5.916 -1.525 1.00 0.00 O ATOM 1453 CB CYS A 990 -27.809 -3.068 -0.800 1.00 0.00 C ATOM 1454 SG CYS A 990 -26.957 -1.459 -0.864 1.00 0.00 S ATOM 0 H CYS A 990 -26.064 -3.843 -2.419 1.00 0.00 H new ATOM 0 HA CYS A 990 -26.415 -4.134 0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -28.325 -3.233 -1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -28.572 -3.034 -0.022 1.00 0.00 H new ATOM 1459 N THR A 991 -27.677 -6.226 0.617 1.00 0.00 N ATOM 1460 CA THR A 991 -28.409 -7.478 0.764 1.00 0.00 C ATOM 1461 C THR A 991 -29.915 -7.242 0.832 1.00 0.00 C ATOM 1462 O THR A 991 -30.365 -6.318 1.509 1.00 0.00 O ATOM 1463 CB THR A 991 -27.960 -8.247 2.022 1.00 0.00 C ATOM 1464 OG1 THR A 991 -28.714 -9.458 2.151 1.00 0.00 O ATOM 1465 CG2 THR A 991 -28.139 -7.396 3.271 1.00 0.00 C ATOM 0 H THR A 991 -27.174 -5.931 1.454 1.00 0.00 H new ATOM 0 HA THR A 991 -28.184 -8.076 -0.119 1.00 0.00 H new ATOM 0 HB THR A 991 -26.902 -8.487 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 991 -28.422 -9.942 2.952 1.00 0.00 H new ATOM 0 HG21 THR A 991 -27.815 -7.961 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 991 -27.540 -6.489 3.182 1.00 0.00 H new ATOM 0 HG23 THR A 991 -29.190 -7.128 3.381 1.00 0.00 H new ATOM 1473 N THR A 992 -30.668 -8.097 0.124 1.00 0.00 N ATOM 1474 CA THR A 992 -32.135 -8.049 0.065 1.00 0.00 C ATOM 1475 C THR A 992 -32.617 -7.631 -1.320 1.00 0.00 C ATOM 1476 O THR A 992 -32.789 -8.469 -2.206 1.00 0.00 O ATOM 1477 CB THR A 992 -32.750 -7.123 1.126 1.00 0.00 C ATOM 1478 OG1 THR A 992 -32.423 -7.596 2.439 1.00 0.00 O ATOM 1479 CG2 THR A 992 -34.264 -7.039 0.976 1.00 0.00 C ATOM 0 H THR A 992 -30.268 -8.853 -0.432 1.00 0.00 H new ATOM 0 HA THR A 992 -32.474 -9.063 0.278 1.00 0.00 H new ATOM 0 HB THR A 992 -32.335 -6.126 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 992 -31.630 -7.124 2.769 1.00 0.00 H new ATOM 0 HG21 THR A 992 -34.669 -6.377 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 992 -34.511 -6.647 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 992 -34.697 -8.033 1.091 1.00 0.00 H new ATOM 1487 N GLY A 993 -32.836 -6.333 -1.501 1.00 0.00 N ATOM 1488 CA GLY A 993 -33.298 -5.831 -2.780 1.00 0.00 C ATOM 1489 C GLY A 993 -33.268 -4.320 -2.846 1.00 0.00 C ATOM 1490 O GLY A 993 -34.095 -3.702 -3.517 1.00 0.00 O ATOM 0 H GLY A 993 -32.702 -5.620 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -32.675 -6.240 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -34.315 -6.181 -2.960 1.00 0.00 H new ATOM 1494 N HIS A 994 -32.303 -3.724 -2.155 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.152 -2.278 -2.139 1.00 0.00 C ATOM 1496 C HIS A 994 -31.125 -1.855 -3.181 1.00 0.00 C ATOM 1497 O HIS A 994 -30.141 -2.558 -3.414 1.00 0.00 O ATOM 1498 CB HIS A 994 -31.709 -1.804 -0.752 1.00 0.00 C ATOM 1499 CG HIS A 994 -32.586 -2.286 0.362 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -32.804 -3.622 0.623 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -33.295 -1.603 1.292 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -33.609 -3.740 1.664 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -33.920 -2.530 2.088 1.00 0.00 N ATOM 0 H HIS A 994 -31.612 -4.225 -1.597 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.114 -1.822 -2.375 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -30.689 -2.143 -0.571 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.689 -0.714 -0.740 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -33.357 -0.529 1.389 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -33.954 -4.669 2.094 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -34.527 -2.318 2.880 1.00 0.00 H new ATOM 1512 N ARG A 995 -31.357 -0.710 -3.808 1.00 0.00 N ATOM 1513 CA ARG A 995 -30.445 -0.208 -4.823 1.00 0.00 C ATOM 1514 C ARG A 995 -29.371 0.658 -4.183 1.00 0.00 C ATOM 1515 O ARG A 995 -29.661 1.478 -3.310 1.00 0.00 O ATOM 1516 CB ARG A 995 -31.205 0.602 -5.876 1.00 0.00 C ATOM 1517 CG ARG A 995 -31.844 1.866 -5.324 1.00 0.00 C ATOM 1518 CD ARG A 995 -32.558 2.654 -6.409 1.00 0.00 C ATOM 1519 NE ARG A 995 -31.665 3.013 -7.511 1.00 0.00 N ATOM 1520 CZ ARG A 995 -30.593 3.789 -7.376 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -30.277 4.295 -6.191 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -29.836 4.062 -8.429 1.00 0.00 N ATOM 0 H ARG A 995 -32.166 -0.114 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 995 -29.972 -1.061 -5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -30.520 0.872 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -31.980 -0.025 -6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -32.553 1.603 -4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -31.078 2.491 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -33.390 2.065 -6.795 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -32.982 3.561 -5.978 1.00 0.00 H new ATOM 0 HE ARG A 995 -31.877 2.646 -8.439 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -30.857 4.090 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -29.454 4.889 -6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -30.075 3.677 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -29.014 4.657 -8.326 1.00 0.00 H new ATOM 1536 N LEU A 996 -28.130 0.463 -4.610 1.00 0.00 N ATOM 1537 CA LEU A 996 -27.016 1.226 -4.070 1.00 0.00 C ATOM 1538 C LEU A 996 -27.058 2.666 -4.567 1.00 0.00 C ATOM 1539 O LEU A 996 -27.218 2.919 -5.761 1.00 0.00 O ATOM 1540 CB LEU A 996 -25.685 0.571 -4.448 1.00 0.00 C ATOM 1541 CG LEU A 996 -24.444 1.203 -3.821 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -23.350 0.163 -3.642 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -23.959 2.360 -4.672 1.00 0.00 C ATOM 0 H LEU A 996 -27.872 -0.215 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.103 1.235 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -25.722 -0.480 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -25.579 0.601 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 996 -24.706 1.589 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -22.473 0.631 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -23.709 -0.634 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -23.082 -0.254 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -23.074 2.802 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -23.710 1.998 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -24.744 3.112 -4.745 1.00 0.00 H new ATOM 1555 N ILE A 997 -26.901 3.602 -3.643 1.00 0.00 N ATOM 1556 CA ILE A 997 -26.904 5.016 -3.974 1.00 0.00 C ATOM 1557 C ILE A 997 -25.475 5.536 -4.054 1.00 0.00 C ATOM 1558 O ILE A 997 -24.696 5.386 -3.113 1.00 0.00 O ATOM 1559 CB ILE A 997 -27.703 5.839 -2.936 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -29.204 5.645 -3.127 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -27.364 7.308 -3.025 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -29.695 4.292 -2.693 1.00 0.00 C ATOM 0 H ILE A 997 -26.769 3.404 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 997 -27.389 5.131 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 997 -27.422 5.476 -1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -29.736 6.413 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -29.450 5.792 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -27.941 7.860 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -26.300 7.448 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -27.606 7.677 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -30.770 4.225 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -29.190 3.519 -3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -29.481 4.150 -1.634 1.00 0.00 H new ATOM 1574 N GLY A 998 -25.137 6.139 -5.190 1.00 0.00 N ATOM 1575 CA GLY A 998 -23.799 6.663 -5.385 1.00 0.00 C ATOM 1576 C GLY A 998 -22.874 5.656 -6.046 1.00 0.00 C ATOM 1577 O GLY A 998 -23.278 4.945 -6.966 1.00 0.00 O ATOM 0 H GLY A 998 -25.768 6.274 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -23.850 7.563 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -23.383 6.957 -4.421 1.00 0.00 H new ATOM 1581 N HIS A 999 -21.629 5.603 -5.582 1.00 0.00 N ATOM 1582 CA HIS A 999 -20.638 4.686 -6.140 1.00 0.00 C ATOM 1583 C HIS A 999 -20.718 3.308 -5.486 1.00 0.00 C ATOM 1584 O HIS A 999 -20.807 3.196 -4.263 1.00 0.00 O ATOM 1585 CB HIS A 999 -19.236 5.260 -5.955 1.00 0.00 C ATOM 1586 CG HIS A 999 -19.076 6.636 -6.519 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -19.146 6.912 -7.868 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -18.863 7.821 -5.903 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -18.979 8.209 -8.058 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -18.806 8.782 -6.881 1.00 0.00 N ATOM 0 H HIS A 999 -21.281 6.185 -4.820 1.00 0.00 H new ATOM 0 HA HIS A 999 -20.852 4.570 -7.202 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -18.998 5.282 -4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -18.514 4.595 -6.429 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -18.757 7.981 -4.840 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -18.983 8.714 -9.013 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -18.654 9.778 -6.724 1.00 0.00 H new ATOM 1599 N SER A1000 -20.672 2.263 -6.308 1.00 0.00 N ATOM 1600 CA SER A1000 -20.722 0.892 -5.807 1.00 0.00 C ATOM 1601 C SER A1000 -19.332 0.263 -5.826 1.00 0.00 C ATOM 1602 O SER A1000 -19.190 -0.960 -5.809 1.00 0.00 O ATOM 1603 CB SER A1000 -21.687 0.054 -6.649 1.00 0.00 C ATOM 1604 OG SER A1000 -21.277 0.011 -8.005 1.00 0.00 O ATOM 0 H SER A1000 -20.600 2.339 -7.323 1.00 0.00 H new ATOM 0 HA SER A1000 -21.080 0.916 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A1000 -21.738 -0.959 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A1000 -22.691 0.474 -6.583 1.00 0.00 H new ATOM 0 HG SER A1000 -21.909 -0.532 -8.521 1.00 0.00 H new ATOM 1610 N SER A1001 -18.311 1.113 -5.864 1.00 0.00 N ATOM 1611 CA SER A1001 -16.925 0.659 -5.889 1.00 0.00 C ATOM 1612 C SER A1001 -15.991 1.772 -5.421 1.00 0.00 C ATOM 1613 O SER A1001 -16.252 2.951 -5.659 1.00 0.00 O ATOM 1614 CB SER A1001 -16.538 0.212 -7.299 1.00 0.00 C ATOM 1615 OG SER A1001 -15.194 -0.234 -7.342 1.00 0.00 O ATOM 0 H SER A1001 -18.419 2.127 -5.878 1.00 0.00 H new ATOM 0 HA SER A1001 -16.828 -0.189 -5.211 1.00 0.00 H new ATOM 0 HB2 SER A1001 -17.201 -0.590 -7.624 1.00 0.00 H new ATOM 0 HB3 SER A1001 -16.672 1.039 -7.996 1.00 0.00 H new ATOM 0 HG SER A1001 -14.972 -0.516 -8.254 1.00 0.00 H new ATOM 1621 N ALA A1002 -14.903 1.395 -4.758 1.00 0.00 N ATOM 1622 CA ALA A1002 -13.937 2.370 -4.266 1.00 0.00 C ATOM 1623 C ALA A1002 -12.550 1.752 -4.142 1.00 0.00 C ATOM 1624 O ALA A1002 -12.397 0.641 -3.631 1.00 0.00 O ATOM 1625 CB ALA A1002 -14.390 2.938 -2.929 1.00 0.00 C ATOM 0 H ALA A1002 -14.669 0.424 -4.550 1.00 0.00 H new ATOM 0 HA ALA A1002 -13.879 3.184 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -13.658 3.664 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -15.357 3.427 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -14.480 2.131 -2.202 1.00 0.00 H new ATOM 1631 N GLU A1003 -11.544 2.474 -4.622 1.00 0.00 N ATOM 1632 CA GLU A1003 -10.167 1.997 -4.579 1.00 0.00 C ATOM 1633 C GLU A1003 -9.438 2.527 -3.349 1.00 0.00 C ATOM 1634 O GLU A1003 -9.427 3.731 -3.096 1.00 0.00 O ATOM 1635 CB GLU A1003 -9.420 2.439 -5.840 1.00 0.00 C ATOM 1636 CG GLU A1003 -8.029 1.844 -5.969 1.00 0.00 C ATOM 1637 CD GLU A1003 -7.299 2.329 -7.207 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -7.090 3.554 -7.330 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -6.937 1.484 -8.052 1.00 0.00 O ATOM 0 H GLU A1003 -11.657 3.395 -5.047 1.00 0.00 H new ATOM 0 HA GLU A1003 -10.191 0.909 -4.526 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -10.007 2.160 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -9.342 3.526 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -7.445 2.099 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -8.104 0.757 -5.999 1.00 0.00 H new ATOM 1646 N CYS A1004 -8.806 1.625 -2.603 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.051 2.021 -1.421 1.00 0.00 C ATOM 1648 C CYS A1004 -6.786 2.749 -1.853 1.00 0.00 C ATOM 1649 O CYS A1004 -5.962 2.192 -2.579 1.00 0.00 O ATOM 1650 CB CYS A1004 -7.692 0.793 -0.578 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.657 1.150 0.882 1.00 0.00 S ATOM 0 H CYS A1004 -8.802 0.623 -2.795 1.00 0.00 H new ATOM 0 HA CYS A1004 -8.663 2.686 -0.812 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.613 0.315 -0.246 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -7.170 0.075 -1.210 1.00 0.00 H new ATOM 1656 N ILE A1005 -6.638 3.998 -1.425 1.00 0.00 N ATOM 1657 CA ILE A1005 -5.472 4.780 -1.801 1.00 0.00 C ATOM 1658 C ILE A1005 -4.806 5.425 -0.591 1.00 0.00 C ATOM 1659 O ILE A1005 -4.983 4.976 0.544 1.00 0.00 O ATOM 1660 CB ILE A1005 -5.839 5.873 -2.825 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -6.909 6.807 -2.253 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -6.315 5.237 -4.123 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -7.288 7.941 -3.180 1.00 0.00 C ATOM 0 H ILE A1005 -7.304 4.484 -0.824 1.00 0.00 H new ATOM 0 HA ILE A1005 -4.766 4.085 -2.256 1.00 0.00 H new ATOM 0 HB ILE A1005 -4.950 6.467 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -7.801 6.225 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -6.549 7.224 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -6.571 6.018 -4.838 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -5.521 4.614 -4.535 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -7.194 4.623 -3.926 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -8.050 8.559 -2.706 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -6.408 8.548 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -7.679 7.534 -4.112 1.00 0.00 H new ATOM 1675 N LEU A1006 -4.028 6.472 -0.845 1.00 0.00 N ATOM 1676 CA LEU A1006 -3.314 7.168 0.216 1.00 0.00 C ATOM 1677 C LEU A1006 -3.106 8.641 -0.129 1.00 0.00 C ATOM 1678 O LEU A1006 -2.748 8.980 -1.257 1.00 0.00 O ATOM 1679 CB LEU A1006 -1.958 6.499 0.445 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.096 7.128 1.539 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -1.703 6.867 2.908 1.00 0.00 C ATOM 1682 CD2 LEU A1006 0.322 6.582 1.472 1.00 0.00 C ATOM 0 H LEU A1006 -3.877 6.856 -1.778 1.00 0.00 H new ATOM 0 HA LEU A1006 -3.915 7.113 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.126 5.451 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -1.399 6.518 -0.491 1.00 0.00 H new ATOM 0 HG LEU A1006 -1.060 8.205 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -1.077 7.321 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.702 7.300 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -1.765 5.792 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A1006 0.925 7.039 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A1006 0.303 5.501 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A1006 0.756 6.815 0.499 1.00 0.00 H new ATOM 1694 N SER A1007 -3.325 9.506 0.854 1.00 0.00 N ATOM 1695 CA SER A1007 -3.155 10.943 0.666 1.00 0.00 C ATOM 1696 C SER A1007 -1.728 11.368 0.996 1.00 0.00 C ATOM 1697 O SER A1007 -1.142 12.203 0.308 1.00 0.00 O ATOM 1698 CB SER A1007 -4.144 11.715 1.543 1.00 0.00 C ATOM 1699 OG SER A1007 -3.991 13.113 1.373 1.00 0.00 O ATOM 0 H SER A1007 -3.622 9.237 1.792 1.00 0.00 H new ATOM 0 HA SER A1007 -3.352 11.173 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A1007 -5.164 11.424 1.290 1.00 0.00 H new ATOM 0 HB3 SER A1007 -3.988 11.453 2.590 1.00 0.00 H new ATOM 0 HG SER A1007 -4.635 13.584 1.942 1.00 0.00 H new ATOM 1705 N GLY A1008 -1.177 10.787 2.059 1.00 0.00 N ATOM 1706 CA GLY A1008 0.175 11.117 2.474 1.00 0.00 C ATOM 1707 C GLY A1008 0.669 10.219 3.592 1.00 0.00 C ATOM 1708 O GLY A1008 1.862 9.927 3.682 1.00 0.00 O ATOM 0 H GLY A1008 -1.645 10.092 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A1008 0.846 11.032 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A1008 0.208 12.155 2.803 1.00 0.00 H new ATOM 1712 N ASN A1009 -0.252 9.784 4.444 1.00 0.00 N ATOM 1713 CA ASN A1009 0.087 8.915 5.567 1.00 0.00 C ATOM 1714 C ASN A1009 -1.083 8.007 5.910 1.00 0.00 C ATOM 1715 O ASN A1009 -0.913 6.809 6.130 1.00 0.00 O ATOM 1716 CB ASN A1009 0.449 9.751 6.793 1.00 0.00 C ATOM 1717 CG ASN A1009 0.907 8.898 7.960 1.00 0.00 C ATOM 1718 OD1 ASN A1009 1.892 8.167 7.861 1.00 0.00 O ATOM 1719 ND2 ASN A1009 0.190 8.988 9.075 1.00 0.00 N ATOM 0 H ASN A1009 -1.242 10.019 4.379 1.00 0.00 H new ATOM 0 HA ASN A1009 0.943 8.305 5.277 1.00 0.00 H new ATOM 0 HB2 ASN A1009 1.238 10.455 6.529 1.00 0.00 H new ATOM 0 HB3 ASN A1009 -0.416 10.341 7.095 1.00 0.00 H new ATOM 0 HD21 ASN A1009 0.449 8.438 9.894 1.00 0.00 H new ATOM 0 HD22 ASN A1009 -0.619 9.607 9.112 1.00 0.00 H new ATOM 1726 N THR A1010 -2.271 8.594 5.955 1.00 0.00 N ATOM 1727 CA THR A1010 -3.476 7.851 6.273 1.00 0.00 C ATOM 1728 C THR A1010 -4.156 7.346 5.006 1.00 0.00 C ATOM 1729 O THR A1010 -4.356 8.099 4.054 1.00 0.00 O ATOM 1730 CB THR A1010 -4.466 8.723 7.067 1.00 0.00 C ATOM 1731 OG1 THR A1010 -3.819 9.271 8.221 1.00 0.00 O ATOM 1732 CG2 THR A1010 -5.670 7.908 7.501 1.00 0.00 C ATOM 0 H THR A1010 -2.423 9.586 5.774 1.00 0.00 H new ATOM 0 HA THR A1010 -3.181 6.998 6.884 1.00 0.00 H new ATOM 0 HB THR A1010 -4.804 9.532 6.420 1.00 0.00 H new ATOM 0 HG1 THR A1010 -4.455 9.826 8.720 1.00 0.00 H new ATOM 0 HG21 THR A1010 -6.357 8.543 8.060 1.00 0.00 H new ATOM 0 HG22 THR A1010 -6.177 7.512 6.621 1.00 0.00 H new ATOM 0 HG23 THR A1010 -5.342 7.083 8.133 1.00 0.00 H new ATOM 1740 N ALA A1011 -4.507 6.065 5.001 1.00 0.00 N ATOM 1741 CA ALA A1011 -5.163 5.455 3.850 1.00 0.00 C ATOM 1742 C ALA A1011 -6.654 5.766 3.849 1.00 0.00 C ATOM 1743 O ALA A1011 -7.285 5.827 4.904 1.00 0.00 O ATOM 1744 CB ALA A1011 -4.936 3.951 3.848 1.00 0.00 C ATOM 0 H ALA A1011 -4.348 5.428 5.782 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.726 5.876 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -5.431 3.509 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -3.867 3.744 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -5.347 3.520 4.761 1.00 0.00 H new ATOM 1750 N HIS A1012 -7.213 5.967 2.660 1.00 0.00 N ATOM 1751 CA HIS A1012 -8.635 6.276 2.537 1.00 0.00 C ATOM 1752 C HIS A1012 -9.170 5.887 1.162 1.00 0.00 C ATOM 1753 O HIS A1012 -8.471 6.003 0.156 1.00 0.00 O ATOM 1754 CB HIS A1012 -8.883 7.764 2.800 1.00 0.00 C ATOM 1755 CG HIS A1012 -8.178 8.676 1.844 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -8.419 8.679 0.486 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -7.234 9.624 2.057 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -7.656 9.587 -0.094 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -6.928 10.176 0.837 1.00 0.00 N ATOM 0 H HIS A1012 -6.709 5.922 1.774 1.00 0.00 H new ATOM 0 HA HIS A1012 -9.170 5.690 3.285 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -9.954 7.958 2.749 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -8.564 8.001 3.815 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -9.084 8.074 0.004 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -6.802 9.895 3.009 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -7.631 9.810 -1.150 1.00 0.00 H new ATOM 1768 N TRP A1013 -10.413 5.416 1.132 1.00 0.00 N ATOM 1769 CA TRP A1013 -11.047 5.000 -0.109 1.00 0.00 C ATOM 1770 C TRP A1013 -11.307 6.198 -1.013 1.00 0.00 C ATOM 1771 O TRP A1013 -11.627 7.290 -0.542 1.00 0.00 O ATOM 1772 CB TRP A1013 -12.356 4.264 0.177 1.00 0.00 C ATOM 1773 CG TRP A1013 -12.207 3.169 1.188 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -12.448 3.252 2.529 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.755 1.831 0.944 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -12.192 2.045 3.131 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -11.761 1.157 2.180 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.351 1.137 -0.200 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -11.379 -0.176 2.304 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -10.970 -0.186 -0.075 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.986 -0.830 1.168 1.00 0.00 C ATOM 0 H TRP A1013 -11.001 5.314 1.959 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.367 4.320 -0.623 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -13.098 4.979 0.532 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -12.739 3.842 -0.752 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -12.790 4.139 3.042 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -12.304 1.842 4.124 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.337 1.625 -1.163 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -11.392 -0.676 3.261 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -10.654 -0.732 -0.952 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.682 -1.864 1.232 1.00 0.00 H new ATOM 1792 N SER A1014 -11.163 5.979 -2.312 1.00 0.00 N ATOM 1793 CA SER A1014 -11.374 7.026 -3.302 1.00 0.00 C ATOM 1794 C SER A1014 -12.743 7.685 -3.141 1.00 0.00 C ATOM 1795 O SER A1014 -12.917 8.856 -3.480 1.00 0.00 O ATOM 1796 CB SER A1014 -11.242 6.444 -4.706 1.00 0.00 C ATOM 1797 OG SER A1014 -9.932 5.957 -4.938 1.00 0.00 O ATOM 0 H SER A1014 -10.898 5.077 -2.708 1.00 0.00 H new ATOM 0 HA SER A1014 -10.614 7.792 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A1014 -11.962 5.636 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A1014 -11.484 7.209 -5.444 1.00 0.00 H new ATOM 0 HG SER A1014 -9.747 5.213 -4.328 1.00 0.00 H new ATOM 1803 N THR A1015 -13.714 6.929 -2.636 1.00 0.00 N ATOM 1804 CA THR A1015 -15.064 7.452 -2.452 1.00 0.00 C ATOM 1805 C THR A1015 -15.690 6.954 -1.153 1.00 0.00 C ATOM 1806 O THR A1015 -15.552 5.785 -0.790 1.00 0.00 O ATOM 1807 CB THR A1015 -15.982 7.053 -3.623 1.00 0.00 C ATOM 1808 OG1 THR A1015 -16.121 5.628 -3.673 1.00 0.00 O ATOM 1809 CG2 THR A1015 -15.426 7.556 -4.946 1.00 0.00 C ATOM 0 H THR A1015 -13.592 5.958 -2.348 1.00 0.00 H new ATOM 0 HA THR A1015 -14.971 8.537 -2.412 1.00 0.00 H new ATOM 0 HB THR A1015 -16.958 7.510 -3.460 1.00 0.00 H new ATOM 0 HG1 THR A1015 -16.707 5.382 -4.419 1.00 0.00 H new ATOM 0 HG21 THR A1015 -16.093 7.261 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A1015 -15.347 8.643 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A1015 -14.439 7.125 -5.113 1.00 0.00 H new ATOM 1817 N LYS A1016 -16.384 7.854 -0.461 1.00 0.00 N ATOM 1818 CA LYS A1016 -17.043 7.520 0.797 1.00 0.00 C ATOM 1819 C LYS A1016 -18.116 6.451 0.587 1.00 0.00 C ATOM 1820 O LYS A1016 -18.680 6.333 -0.501 1.00 0.00 O ATOM 1821 CB LYS A1016 -17.643 8.781 1.436 1.00 0.00 C ATOM 1822 CG LYS A1016 -18.563 9.578 0.519 1.00 0.00 C ATOM 1823 CD LYS A1016 -19.922 8.916 0.352 1.00 0.00 C ATOM 1824 CE LYS A1016 -20.844 9.747 -0.525 1.00 0.00 C ATOM 1825 NZ LYS A1016 -20.288 9.938 -1.893 1.00 0.00 N ATOM 0 H LYS A1016 -16.504 8.824 -0.753 1.00 0.00 H new ATOM 0 HA LYS A1016 -16.296 7.111 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -18.201 8.491 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -16.830 9.428 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -18.697 10.581 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -18.092 9.689 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -19.794 7.927 -0.088 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -20.381 8.773 1.330 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -21.816 9.259 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -21.007 10.720 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -21.019 10.344 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -19.473 10.583 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -19.983 9.020 -2.275 1.00 0.00 H new ATOM 1839 N PRO A1017 -18.404 5.647 1.627 1.00 0.00 N ATOM 1840 CA PRO A1017 -19.407 4.577 1.547 1.00 0.00 C ATOM 1841 C PRO A1017 -20.752 5.070 1.015 1.00 0.00 C ATOM 1842 O PRO A1017 -21.270 6.092 1.464 1.00 0.00 O ATOM 1843 CB PRO A1017 -19.546 4.114 2.999 1.00 0.00 C ATOM 1844 CG PRO A1017 -18.240 4.451 3.630 1.00 0.00 C ATOM 1845 CD PRO A1017 -17.768 5.709 2.957 1.00 0.00 C ATOM 0 HA PRO A1017 -19.104 3.789 0.857 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -20.370 4.622 3.499 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -19.749 3.045 3.056 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -18.353 4.601 4.704 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -17.521 3.643 3.495 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -18.075 6.598 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -16.681 5.740 2.881 1.00 0.00 H new ATOM 1853 N PRO A1018 -21.336 4.342 0.044 1.00 0.00 N ATOM 1854 CA PRO A1018 -22.627 4.706 -0.556 1.00 0.00 C ATOM 1855 C PRO A1018 -23.794 4.522 0.409 1.00 0.00 C ATOM 1856 O PRO A1018 -23.624 4.585 1.627 1.00 0.00 O ATOM 1857 CB PRO A1018 -22.753 3.737 -1.734 1.00 0.00 C ATOM 1858 CG PRO A1018 -21.929 2.560 -1.345 1.00 0.00 C ATOM 1859 CD PRO A1018 -20.781 3.109 -0.547 1.00 0.00 C ATOM 0 HA PRO A1018 -22.660 5.758 -0.841 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -23.792 3.454 -1.905 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -22.389 4.187 -2.658 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -22.512 1.852 -0.755 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -21.573 2.024 -2.225 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -20.453 2.408 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -19.917 3.319 -1.178 1.00 0.00 H new ATOM 1867 N ILE A1019 -24.980 4.298 -0.148 1.00 0.00 N ATOM 1868 CA ILE A1019 -26.184 4.106 0.660 1.00 0.00 C ATOM 1869 C ILE A1019 -27.067 2.997 0.112 1.00 0.00 C ATOM 1870 O ILE A1019 -27.252 2.874 -1.093 1.00 0.00 O ATOM 1871 CB ILE A1019 -27.053 5.375 0.711 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -26.305 6.545 1.336 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -28.339 5.101 1.482 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -27.155 7.792 1.408 1.00 0.00 C ATOM 0 H ILE A1019 -25.135 4.245 -1.155 1.00 0.00 H new ATOM 0 HA ILE A1019 -25.819 3.850 1.655 1.00 0.00 H new ATOM 0 HB ILE A1019 -27.299 5.649 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -25.979 6.271 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -25.407 6.752 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -28.946 6.006 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -28.897 4.306 0.988 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -28.095 4.795 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -26.579 8.599 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -27.460 8.083 0.403 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -28.040 7.595 2.013 1.00 0.00 H new ATOM 1886 N CYS A1020 -27.660 2.229 1.012 1.00 0.00 N ATOM 1887 CA CYS A1020 -28.577 1.177 0.612 1.00 0.00 C ATOM 1888 C CYS A1020 -30.005 1.674 0.776 1.00 0.00 C ATOM 1889 O CYS A1020 -30.390 2.118 1.858 1.00 0.00 O ATOM 1890 CB CYS A1020 -28.351 -0.088 1.439 1.00 0.00 C ATOM 1891 SG CYS A1020 -26.778 -0.930 1.086 1.00 0.00 S ATOM 0 H CYS A1020 -27.523 2.314 2.019 1.00 0.00 H new ATOM 0 HA CYS A1020 -28.397 0.924 -0.433 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -28.383 0.171 2.497 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -29.172 -0.781 1.256 1.00 0.00 H new ATOM 1896 N GLN A1021 -30.785 1.624 -0.296 1.00 0.00 N ATOM 1897 CA GLN A1021 -32.161 2.102 -0.237 1.00 0.00 C ATOM 1898 C GLN A1021 -33.087 1.219 -1.066 1.00 0.00 C ATOM 1899 O GLN A1021 -32.812 0.931 -2.229 1.00 0.00 O ATOM 1900 CB GLN A1021 -32.226 3.543 -0.745 1.00 0.00 C ATOM 1901 CG GLN A1021 -33.283 4.390 -0.062 1.00 0.00 C ATOM 1902 CD GLN A1021 -33.409 5.771 -0.674 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -33.713 5.913 -1.859 1.00 0.00 O ATOM 1904 NE2 GLN A1021 -33.175 6.800 0.133 1.00 0.00 N ATOM 0 H GLN A1021 -30.495 1.263 -1.205 1.00 0.00 H new ATOM 0 HA GLN A1021 -32.494 2.062 0.800 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -31.252 4.012 -0.604 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -32.421 3.531 -1.817 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -34.245 3.881 -0.121 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -33.038 4.486 0.996 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -32.926 6.637 1.109 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -33.245 7.753 -0.223 1.00 0.00 H new ATOM 1913 N ARG A1022 -34.183 0.791 -0.447 1.00 0.00 N ATOM 1914 CA ARG A1022 -35.164 -0.067 -1.105 1.00 0.00 C ATOM 1915 C ARG A1022 -35.584 0.492 -2.451 1.00 0.00 C ATOM 1916 O ARG A1022 -35.878 1.680 -2.589 1.00 0.00 O ATOM 1917 CB ARG A1022 -36.394 -0.246 -0.215 1.00 0.00 C ATOM 1918 CG ARG A1022 -37.502 -1.065 -0.860 1.00 0.00 C ATOM 1919 CD ARG A1022 -37.066 -2.498 -1.112 1.00 0.00 C ATOM 1920 NE ARG A1022 -38.129 -3.296 -1.717 1.00 0.00 N ATOM 1921 CZ ARG A1022 -37.995 -4.578 -2.045 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -36.846 -5.204 -1.832 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -39.012 -5.235 -2.586 1.00 0.00 N ATOM 0 H ARG A1022 -34.416 1.027 0.518 1.00 0.00 H new ATOM 0 HA ARG A1022 -34.692 -1.035 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -36.092 -0.729 0.714 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -36.787 0.736 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -38.381 -1.060 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -37.795 -0.603 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -36.194 -2.502 -1.765 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -36.761 -2.955 -0.171 1.00 0.00 H new ATOM 0 HE ARG A1022 -39.025 -2.844 -1.898 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -36.062 -4.702 -1.415 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -36.746 -6.187 -2.085 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -39.898 -4.757 -2.751 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -38.908 -6.218 -2.837 1.00 0.00 H new ATOM 1937 N ILE A1023 -35.609 -0.388 -3.439 1.00 0.00 N ATOM 1938 CA ILE A1023 -35.993 -0.018 -4.786 1.00 0.00 C ATOM 1939 C ILE A1023 -37.504 0.180 -4.884 1.00 0.00 C ATOM 1940 O ILE A1023 -38.277 -0.720 -4.555 1.00 0.00 O ATOM 1941 CB ILE A1023 -35.557 -1.097 -5.790 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -34.053 -1.359 -5.670 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -35.912 -0.667 -7.197 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -33.551 -2.453 -6.589 1.00 0.00 C ATOM 0 H ILE A1023 -35.365 -1.372 -3.328 1.00 0.00 H new ATOM 0 HA ILE A1023 -35.493 0.920 -5.027 1.00 0.00 H new ATOM 0 HB ILE A1023 -36.085 -2.024 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -33.514 -0.437 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -33.821 -1.627 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -35.600 -1.437 -7.902 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -36.990 -0.522 -7.272 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -35.403 0.268 -7.431 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -32.478 -2.582 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -34.063 -3.387 -6.356 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -33.751 -2.178 -7.625 1.00 0.00 H new ATOM 1956 N PRO A1024 -37.949 1.365 -5.338 1.00 0.00 N ATOM 1957 CA PRO A1024 -39.377 1.679 -5.476 1.00 0.00 C ATOM 1958 C PRO A1024 -40.078 0.764 -6.475 1.00 0.00 C ATOM 1959 O PRO A1024 -40.968 -0.002 -6.050 1.00 0.00 O ATOM 1960 CB PRO A1024 -39.376 3.127 -5.983 1.00 0.00 C ATOM 1961 CG PRO A1024 -38.043 3.659 -5.591 1.00 0.00 C ATOM 1962 CD PRO A1024 -37.106 2.501 -5.747 1.00 0.00 C ATOM 1963 OXT PRO A1024 -39.730 0.821 -7.673 1.00 0.00 O ATOM 0 HA PRO A1024 -39.917 1.542 -4.539 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -39.518 3.169 -7.063 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -40.182 3.706 -5.532 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -37.748 4.494 -6.226 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -38.050 4.026 -4.565 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -36.753 2.398 -6.773 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -36.224 2.602 -5.115 1.00 0.00 H new