USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=40 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 991 THR OG1 : rot 180:sc=-0.000267 USER MOD Set 1.2: A 992 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 978 THR OG1 : rot -174:sc= 0.723 USER MOD Set 2.2: A 984 SER OG : rot 178:sc= 1.43 USER MOD Set 3.1: A 975 HIS : no HE2:sc= -0.304 K(o=-0.31,f=-2.2) USER MOD Set 3.2: A 989 SER OG : rot -150:sc=-0.00339 USER MOD Set 4.1: A 927 SER OG : rot 180:sc= 1.06 USER MOD Set 4.2: A 944 THR OG1 : rot -40:sc= 1.21 USER MOD Set 5.1: A 929 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0308) USER MOD Set 5.2: A 942 SER OG : rot 24:sc= 0.215 USER MOD Single : A 901 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-4.8!) USER MOD Single : A 903 GLN :FLIP amide:sc= -3.24! C(o=-6.2!,f=-3.2!) USER MOD Single : A 907 HIS : no HD1:sc= -0.919 K(o=-0.92,f=-4.8!) USER MOD Single : A 912 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 914 LYS NZ :NH3+ -141:sc=-0.00468 (180deg=-0.864) USER MOD Single : A 915 THR OG1 : rot 180:sc= 0 USER MOD Single : A 916 GLN : amide:sc= -2.47 X(o=-2.5,f=-2.2) USER MOD Single : A 917 THR OG1 : rot 170:sc= 0 USER MOD Single : A 918 THR OG1 : rot 180:sc= -0.0218 USER MOD Single : A 920 SER OG : rot 180:sc= -0.011 USER MOD Single : A 926 THR OG1 : rot 80:sc= -1.41! USER MOD Single : A 930 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 936 TYR OH : rot -43:sc= 0.165 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 948 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 952 SER OG : rot 180:sc= 0 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 959 LYS NZ :NH3+ 166:sc= -0.0158 (180deg=-0.264) USER MOD Single : A 961 LYS NZ :NH3+ -139:sc= -5.67! (180deg=-8.81!) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot 180:sc=-0.00442 USER MOD Single : A 971 ASN :FLIP amide:sc= -0.429 F(o=-1.1,f=-0.43) USER MOD Single : A 973 MET CE :methyl -114:sc= -1.63 (180deg=-2.82) USER MOD Single : A 981 GLN :FLIP amide:sc= -2.7 F(o=-5!,f=-2.7) USER MOD Single : A 987 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 988 TYR OH : rot 50:sc= -0.259 USER MOD Single : A 994 HIS : no HD1:sc= -3.83 K(o=-3.8,f=-6.6!) USER MOD Single : A 999 HIS :FLIP no HE2:sc= -1.33 F(o=-2.6!,f=-1.3) 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= -3.79! C(o=-3.8!,f=-7.9!) USER MOD Single : A1014 SER OG : rot 180:sc= 0 USER MOD Single : A1015 THR OG1 : rot -80:sc= -1.61! USER MOD Single : A1016 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1021 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 900 36.798 -5.408 -1.105 1.00 0.00 N ATOM 44 CA ALA A 900 35.457 -5.985 -1.124 1.00 0.00 C ATOM 45 C ALA A 900 34.392 -4.900 -1.048 1.00 0.00 C ATOM 46 O ALA A 900 34.429 -4.043 -0.165 1.00 0.00 O ATOM 47 CB ALA A 900 35.284 -6.960 0.026 1.00 0.00 C ATOM 0 HA ALA A 900 35.337 -6.519 -2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 900 34.279 -7.381 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 900 36.017 -7.762 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 900 35.432 -6.438 0.971 1.00 0.00 H new ATOM 53 N HIS A 901 33.442 -4.948 -1.977 1.00 0.00 N ATOM 54 CA HIS A 901 32.359 -3.971 -2.021 1.00 0.00 C ATOM 55 C HIS A 901 31.119 -4.567 -2.685 1.00 0.00 C ATOM 56 O HIS A 901 31.228 -5.362 -3.620 1.00 0.00 O ATOM 57 CB HIS A 901 32.794 -2.719 -2.787 1.00 0.00 C ATOM 58 CG HIS A 901 33.995 -2.032 -2.211 1.00 0.00 C ATOM 59 ND1 HIS A 901 35.274 -2.537 -2.312 1.00 0.00 N ATOM 60 CD2 HIS A 901 34.105 -0.876 -1.513 1.00 0.00 C ATOM 61 CE1 HIS A 901 36.118 -1.724 -1.703 1.00 0.00 C ATOM 62 NE2 HIS A 901 35.433 -0.708 -1.210 1.00 0.00 N ATOM 0 H HIS A 901 33.400 -5.655 -2.711 1.00 0.00 H new ATOM 0 HA HIS A 901 32.116 -3.697 -0.995 1.00 0.00 H new ATOM 0 HB2 HIS A 901 33.008 -2.995 -3.820 1.00 0.00 H new ATOM 0 HB3 HIS A 901 31.963 -2.014 -2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 901 33.298 -0.210 -1.245 1.00 0.00 H new ATOM 0 HE1 HIS A 901 37.186 -1.866 -1.622 1.00 0.00 H new ATOM 0 HE2 HIS A 901 35.827 0.075 -0.688 1.00 0.00 H new ATOM 71 N CYS A 902 29.941 -4.176 -2.203 1.00 0.00 N ATOM 72 CA CYS A 902 28.686 -4.671 -2.758 1.00 0.00 C ATOM 73 C CYS A 902 28.317 -3.913 -4.025 1.00 0.00 C ATOM 74 O CYS A 902 28.283 -2.683 -4.037 1.00 0.00 O ATOM 75 CB CYS A 902 27.550 -4.527 -1.744 1.00 0.00 C ATOM 76 SG CYS A 902 27.662 -5.635 -0.305 1.00 0.00 S ATOM 0 H CYS A 902 29.831 -3.519 -1.431 1.00 0.00 H new ATOM 0 HA CYS A 902 28.827 -5.725 -2.997 1.00 0.00 H new ATOM 0 HB2 CYS A 902 27.527 -3.496 -1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 902 26.603 -4.710 -2.252 1.00 0.00 H new ATOM 81 N GLN A 903 28.024 -4.656 -5.084 1.00 0.00 N ATOM 82 CA GLN A 903 27.636 -4.054 -6.350 1.00 0.00 C ATOM 83 C GLN A 903 26.270 -3.401 -6.236 1.00 0.00 C ATOM 84 O GLN A 903 25.474 -3.752 -5.364 1.00 0.00 O ATOM 85 CB GLN A 903 27.632 -5.085 -7.479 1.00 0.00 C ATOM 86 CG GLN A 903 27.232 -6.483 -7.040 1.00 0.00 C ATOM 87 CD GLN A 903 28.353 -7.237 -6.341 1.00 0.00 C ATOM 88 OE1 GLN A 903 29.507 -6.592 -6.190 1.00 0.00 O flip ATOM 89 NE2 GLN A 903 28.182 -8.388 -5.940 1.00 0.00 N flip ATOM 0 H GLN A 903 28.048 -5.676 -5.090 1.00 0.00 H new ATOM 0 HA GLN A 903 28.374 -3.289 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 903 26.948 -4.751 -8.259 1.00 0.00 H new ATOM 0 HB3 GLN A 903 28.627 -5.126 -7.923 1.00 0.00 H new ATOM 0 HG2 GLN A 903 26.376 -6.415 -6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 903 26.909 -7.052 -7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 903 27.281 -8.847 -6.076 1.00 0.00 H new ATOM 0 HE22 GLN A 903 28.941 -8.883 -5.472 1.00 0.00 H new ATOM 98 N ALA A 904 26.012 -2.446 -7.120 1.00 0.00 N ATOM 99 CA ALA A 904 24.740 -1.728 -7.127 1.00 0.00 C ATOM 100 C ALA A 904 23.569 -2.686 -6.928 1.00 0.00 C ATOM 101 O ALA A 904 23.486 -3.721 -7.590 1.00 0.00 O ATOM 102 CB ALA A 904 24.580 -0.955 -8.427 1.00 0.00 C ATOM 0 H ALA A 904 26.667 -2.149 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 904 24.742 -1.022 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 904 23.628 -0.424 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 904 25.395 -0.238 -8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 904 24.602 -1.648 -9.268 1.00 0.00 H new ATOM 108 N PRO A 905 22.645 -2.359 -6.005 1.00 0.00 N ATOM 109 CA PRO A 905 21.479 -3.205 -5.722 1.00 0.00 C ATOM 110 C PRO A 905 20.555 -3.335 -6.925 1.00 0.00 C ATOM 111 O PRO A 905 20.961 -3.091 -8.062 1.00 0.00 O ATOM 112 CB PRO A 905 20.768 -2.474 -4.578 1.00 0.00 C ATOM 113 CG PRO A 905 21.257 -1.068 -4.651 1.00 0.00 C ATOM 114 CD PRO A 905 22.665 -1.148 -5.166 1.00 0.00 C ATOM 0 HA PRO A 905 21.771 -4.225 -5.473 1.00 0.00 H new ATOM 0 HB2 PRO A 905 19.685 -2.521 -4.693 1.00 0.00 H new ATOM 0 HB3 PRO A 905 21.006 -2.924 -3.614 1.00 0.00 H new ATOM 0 HG2 PRO A 905 20.632 -0.471 -5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 905 21.226 -0.592 -3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 905 22.935 -0.263 -5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 905 23.387 -1.232 -4.354 1.00 0.00 H new ATOM 122 N ASP A 906 19.310 -3.719 -6.668 1.00 0.00 N ATOM 123 CA ASP A 906 18.329 -3.881 -7.735 1.00 0.00 C ATOM 124 C ASP A 906 16.947 -4.173 -7.163 1.00 0.00 C ATOM 125 O ASP A 906 16.818 -4.746 -6.083 1.00 0.00 O ATOM 126 CB ASP A 906 18.741 -5.008 -8.670 1.00 0.00 C ATOM 127 CG ASP A 906 18.205 -4.823 -10.077 1.00 0.00 C ATOM 128 OD1 ASP A 906 16.971 -4.730 -10.236 1.00 0.00 O ATOM 129 OD2 ASP A 906 19.023 -4.772 -11.020 1.00 0.00 O ATOM 0 H ASP A 906 18.957 -3.923 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 906 18.287 -2.947 -8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 906 19.829 -5.067 -8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 906 18.382 -5.956 -8.270 1.00 0.00 H new ATOM 134 N HIS A 907 15.919 -3.770 -7.904 1.00 0.00 N ATOM 135 CA HIS A 907 14.533 -3.975 -7.493 1.00 0.00 C ATOM 136 C HIS A 907 14.168 -3.088 -6.304 1.00 0.00 C ATOM 137 O HIS A 907 13.927 -3.575 -5.198 1.00 0.00 O ATOM 138 CB HIS A 907 14.273 -5.443 -7.156 1.00 0.00 C ATOM 139 CG HIS A 907 14.482 -6.368 -8.313 1.00 0.00 C ATOM 140 ND1 HIS A 907 15.722 -6.632 -8.854 1.00 0.00 N ATOM 141 CD2 HIS A 907 13.595 -7.083 -9.042 1.00 0.00 C ATOM 142 CE1 HIS A 907 15.589 -7.472 -9.865 1.00 0.00 C ATOM 143 NE2 HIS A 907 14.308 -7.762 -9.999 1.00 0.00 N ATOM 0 H HIS A 907 16.021 -3.295 -8.801 1.00 0.00 H new ATOM 0 HA HIS A 907 13.899 -3.694 -8.334 1.00 0.00 H new ATOM 0 HB2 HIS A 907 14.930 -5.742 -6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 907 13.249 -5.549 -6.797 1.00 0.00 H new ATOM 0 HD2 HIS A 907 12.525 -7.114 -8.898 1.00 0.00 H new ATOM 0 HE1 HIS A 907 16.391 -7.856 -10.477 1.00 0.00 H new ATOM 0 HE2 HIS A 907 13.912 -8.389 -10.700 1.00 0.00 H new ATOM 152 N PHE A 908 14.116 -1.785 -6.552 1.00 0.00 N ATOM 153 CA PHE A 908 13.770 -0.801 -5.526 1.00 0.00 C ATOM 154 C PHE A 908 12.873 0.269 -6.128 1.00 0.00 C ATOM 155 O PHE A 908 13.057 1.463 -5.897 1.00 0.00 O ATOM 156 CB PHE A 908 15.021 -0.136 -4.939 1.00 0.00 C ATOM 157 CG PHE A 908 15.874 -1.037 -4.093 1.00 0.00 C ATOM 158 CD1 PHE A 908 16.508 -2.136 -4.643 1.00 0.00 C ATOM 159 CD2 PHE A 908 16.044 -0.775 -2.743 1.00 0.00 C ATOM 160 CE1 PHE A 908 17.297 -2.960 -3.863 1.00 0.00 C ATOM 161 CE2 PHE A 908 16.830 -1.595 -1.958 1.00 0.00 C ATOM 162 CZ PHE A 908 17.458 -2.689 -2.519 1.00 0.00 C ATOM 0 H PHE A 908 14.311 -1.378 -7.467 1.00 0.00 H new ATOM 0 HA PHE A 908 13.250 -1.324 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 908 15.627 0.252 -5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 908 14.713 0.719 -4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 908 16.385 -2.353 -5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 908 15.556 0.080 -2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 908 17.787 -3.815 -4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 908 16.953 -1.381 -0.907 1.00 0.00 H new ATOM 0 HZ PHE A 908 18.074 -3.332 -1.908 1.00 0.00 H new ATOM 172 N LEU A 909 11.910 -0.179 -6.916 1.00 0.00 N ATOM 173 CA LEU A 909 10.973 0.712 -7.584 1.00 0.00 C ATOM 174 C LEU A 909 10.013 1.350 -6.590 1.00 0.00 C ATOM 175 O LEU A 909 9.567 2.480 -6.780 1.00 0.00 O ATOM 176 CB LEU A 909 10.195 -0.075 -8.630 1.00 0.00 C ATOM 177 CG LEU A 909 11.051 -1.028 -9.464 1.00 0.00 C ATOM 178 CD1 LEU A 909 10.177 -1.873 -10.369 1.00 0.00 C ATOM 179 CD2 LEU A 909 12.085 -0.257 -10.268 1.00 0.00 C ATOM 0 H LEU A 909 11.755 -1.168 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 909 11.535 1.513 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 909 9.415 -0.649 -8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 909 9.696 0.626 -9.299 1.00 0.00 H new ATOM 0 HG LEU A 909 11.583 -1.696 -8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 909 10.803 -2.545 -10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 909 9.484 -2.458 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 909 9.614 -1.224 -11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 909 12.684 -0.954 -10.854 1.00 0.00 H new ATOM 0 HD22 LEU A 909 11.580 0.440 -10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 909 12.734 0.297 -9.590 1.00 0.00 H new ATOM 191 N PHE A 910 9.689 0.611 -5.535 1.00 0.00 N ATOM 192 CA PHE A 910 8.769 1.097 -4.516 1.00 0.00 C ATOM 193 C PHE A 910 9.474 1.996 -3.505 1.00 0.00 C ATOM 194 O PHE A 910 8.905 2.342 -2.472 1.00 0.00 O ATOM 195 CB PHE A 910 8.108 -0.087 -3.800 1.00 0.00 C ATOM 196 CG PHE A 910 9.078 -1.132 -3.313 1.00 0.00 C ATOM 197 CD1 PHE A 910 10.148 -0.791 -2.497 1.00 0.00 C ATOM 198 CD2 PHE A 910 8.916 -2.461 -3.672 1.00 0.00 C ATOM 199 CE1 PHE A 910 11.034 -1.753 -2.051 1.00 0.00 C ATOM 200 CE2 PHE A 910 9.800 -3.428 -3.229 1.00 0.00 C ATOM 201 CZ PHE A 910 10.859 -3.073 -2.419 1.00 0.00 C ATOM 0 H PHE A 910 10.051 -0.327 -5.364 1.00 0.00 H new ATOM 0 HA PHE A 910 8.004 1.693 -5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.538 0.289 -2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 910 7.396 -0.556 -4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 910 10.290 0.240 -2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 910 8.089 -2.745 -4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 910 11.862 -1.473 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 910 9.662 -4.460 -3.517 1.00 0.00 H new ATOM 0 HZ PHE A 910 11.551 -3.827 -2.073 1.00 0.00 H new ATOM 211 N ALA A 911 10.712 2.376 -3.808 1.00 0.00 N ATOM 212 CA ALA A 911 11.474 3.240 -2.915 1.00 0.00 C ATOM 213 C ALA A 911 12.583 3.979 -3.657 1.00 0.00 C ATOM 214 O ALA A 911 13.419 3.363 -4.316 1.00 0.00 O ATOM 215 CB ALA A 911 12.059 2.426 -1.770 1.00 0.00 C ATOM 0 H ALA A 911 11.205 2.102 -4.658 1.00 0.00 H new ATOM 0 HA ALA A 911 10.790 3.987 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 911 12.626 3.082 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 911 11.252 1.956 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.719 1.656 -2.171 1.00 0.00 H new ATOM 221 N LYS A 912 12.595 5.301 -3.531 1.00 0.00 N ATOM 222 CA LYS A 912 13.615 6.118 -4.180 1.00 0.00 C ATOM 223 C LYS A 912 14.795 6.346 -3.237 1.00 0.00 C ATOM 224 O LYS A 912 14.631 6.888 -2.144 1.00 0.00 O ATOM 225 CB LYS A 912 13.024 7.458 -4.619 1.00 0.00 C ATOM 226 CG LYS A 912 11.889 7.323 -5.621 1.00 0.00 C ATOM 227 CD LYS A 912 11.316 8.678 -6.005 1.00 0.00 C ATOM 228 CE LYS A 912 10.186 8.539 -7.013 1.00 0.00 C ATOM 229 NZ LYS A 912 9.604 9.860 -7.382 1.00 0.00 N ATOM 0 H LYS A 912 11.913 5.829 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 912 13.972 5.587 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 912 12.660 7.991 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 912 13.814 8.068 -5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 912 12.251 6.814 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 912 11.101 6.701 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 912 10.949 9.185 -5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 912 12.105 9.302 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 912 10.558 8.043 -7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 912 9.405 7.902 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 8.837 9.721 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 9.225 10.323 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 10.343 10.460 -7.802 1.00 0.00 H new ATOM 243 N LEU A 913 15.979 5.917 -3.668 1.00 0.00 N ATOM 244 CA LEU A 913 17.194 6.057 -2.865 1.00 0.00 C ATOM 245 C LEU A 913 17.344 7.483 -2.335 1.00 0.00 C ATOM 246 O LEU A 913 17.260 8.450 -3.092 1.00 0.00 O ATOM 247 CB LEU A 913 18.421 5.675 -3.698 1.00 0.00 C ATOM 248 CG LEU A 913 19.563 5.010 -2.921 1.00 0.00 C ATOM 249 CD1 LEU A 913 20.691 4.623 -3.864 1.00 0.00 C ATOM 250 CD2 LEU A 913 20.079 5.920 -1.818 1.00 0.00 C ATOM 0 H LEU A 913 16.124 5.468 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 913 17.115 5.384 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.104 5.000 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 913 18.807 6.574 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 913 19.172 4.106 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 913 21.494 4.152 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.316 3.924 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 913 21.072 5.515 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 913 20.888 5.422 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 913 20.449 6.847 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 913 19.270 6.144 -1.123 1.00 0.00 H new ATOM 262 N LYS A 914 17.571 7.601 -1.029 1.00 0.00 N ATOM 263 CA LYS A 914 17.740 8.904 -0.391 1.00 0.00 C ATOM 264 C LYS A 914 19.193 9.372 -0.464 1.00 0.00 C ATOM 265 O LYS A 914 19.478 10.488 -0.898 1.00 0.00 O ATOM 266 CB LYS A 914 17.302 8.834 1.074 1.00 0.00 C ATOM 267 CG LYS A 914 17.448 10.154 1.817 1.00 0.00 C ATOM 268 CD LYS A 914 17.252 9.987 3.317 1.00 0.00 C ATOM 269 CE LYS A 914 15.850 9.509 3.656 1.00 0.00 C ATOM 270 NZ LYS A 914 15.658 9.341 5.123 1.00 0.00 N ATOM 0 H LYS A 914 17.642 6.808 -0.391 1.00 0.00 H new ATOM 0 HA LYS A 914 17.117 9.620 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 914 16.261 8.515 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 914 17.891 8.072 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 914 18.436 10.571 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 914 16.720 10.869 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 914 17.981 9.274 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 914 17.442 10.937 3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 914 15.121 10.224 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 914 15.659 8.560 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 15.084 8.492 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 16.584 9.237 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 15.171 10.176 5.507 1.00 0.00 H new ATOM 284 N THR A 915 20.102 8.509 -0.023 1.00 0.00 N ATOM 285 CA THR A 915 21.529 8.817 -0.014 1.00 0.00 C ATOM 286 C THR A 915 22.089 9.002 -1.421 1.00 0.00 C ATOM 287 O THR A 915 21.775 8.238 -2.332 1.00 0.00 O ATOM 288 CB THR A 915 22.330 7.703 0.692 1.00 0.00 C ATOM 289 OG1 THR A 915 21.992 7.662 2.084 1.00 0.00 O ATOM 290 CG2 THR A 915 23.830 7.916 0.532 1.00 0.00 C ATOM 0 H THR A 915 19.873 7.582 0.336 1.00 0.00 H new ATOM 0 HA THR A 915 21.635 9.755 0.530 1.00 0.00 H new ATOM 0 HB THR A 915 22.068 6.753 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 915 22.503 6.951 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 915 24.367 7.115 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 915 24.087 7.911 -0.527 1.00 0.00 H new ATOM 0 HG23 THR A 915 24.110 8.875 0.969 1.00 0.00 H new ATOM 298 N GLN A 916 22.945 10.008 -1.582 1.00 0.00 N ATOM 299 CA GLN A 916 23.573 10.270 -2.869 1.00 0.00 C ATOM 300 C GLN A 916 24.424 9.075 -3.284 1.00 0.00 C ATOM 301 O GLN A 916 25.063 8.441 -2.444 1.00 0.00 O ATOM 302 CB GLN A 916 24.418 11.547 -2.808 1.00 0.00 C ATOM 303 CG GLN A 916 25.311 11.641 -1.579 1.00 0.00 C ATOM 304 CD GLN A 916 26.432 10.619 -1.576 1.00 0.00 C ATOM 305 OE1 GLN A 916 27.256 10.583 -2.490 1.00 0.00 O ATOM 306 NE2 GLN A 916 26.469 9.786 -0.543 1.00 0.00 N ATOM 0 H GLN A 916 23.217 10.651 -0.839 1.00 0.00 H new ATOM 0 HA GLN A 916 22.794 10.420 -3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 916 25.040 11.602 -3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 916 23.754 12.411 -2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 916 25.740 12.642 -1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 916 24.703 11.506 -0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 916 25.765 9.853 0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 916 27.202 9.079 -0.484 1.00 0.00 H new ATOM 315 N THR A 917 24.415 8.752 -4.573 1.00 0.00 N ATOM 316 CA THR A 917 25.176 7.611 -5.073 1.00 0.00 C ATOM 317 C THR A 917 25.597 7.805 -6.525 1.00 0.00 C ATOM 318 O THR A 917 24.905 8.460 -7.306 1.00 0.00 O ATOM 319 CB THR A 917 24.369 6.301 -4.968 1.00 0.00 C ATOM 320 OG1 THR A 917 23.154 6.412 -5.721 1.00 0.00 O ATOM 321 CG2 THR A 917 24.042 5.965 -3.521 1.00 0.00 C ATOM 0 H THR A 917 23.893 9.260 -5.287 1.00 0.00 H new ATOM 0 HA THR A 917 26.065 7.542 -4.446 1.00 0.00 H new ATOM 0 HB THR A 917 24.983 5.498 -5.375 1.00 0.00 H new ATOM 0 HG1 THR A 917 22.727 5.532 -5.784 1.00 0.00 H new ATOM 0 HG21 THR A 917 23.473 5.036 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 917 24.967 5.847 -2.957 1.00 0.00 H new ATOM 0 HG23 THR A 917 23.451 6.771 -3.085 1.00 0.00 H new ATOM 329 N THR A 918 26.739 7.223 -6.874 1.00 0.00 N ATOM 330 CA THR A 918 27.275 7.311 -8.227 1.00 0.00 C ATOM 331 C THR A 918 28.165 6.108 -8.520 1.00 0.00 C ATOM 332 O THR A 918 28.116 5.534 -9.607 1.00 0.00 O ATOM 333 CB THR A 918 28.087 8.605 -8.429 1.00 0.00 C ATOM 334 OG1 THR A 918 27.253 9.747 -8.201 1.00 0.00 O ATOM 335 CG2 THR A 918 28.667 8.670 -9.835 1.00 0.00 C ATOM 0 H THR A 918 27.316 6.680 -6.231 1.00 0.00 H new ATOM 0 HA THR A 918 26.430 7.322 -8.915 1.00 0.00 H new ATOM 0 HB THR A 918 28.909 8.605 -7.714 1.00 0.00 H new ATOM 0 HG1 THR A 918 27.777 10.565 -8.330 1.00 0.00 H new ATOM 0 HG21 THR A 918 29.235 9.593 -9.952 1.00 0.00 H new ATOM 0 HG22 THR A 918 29.324 7.816 -9.997 1.00 0.00 H new ATOM 0 HG23 THR A 918 27.857 8.648 -10.564 1.00 0.00 H new ATOM 343 N ALA A 919 28.967 5.727 -7.531 1.00 0.00 N ATOM 344 CA ALA A 919 29.861 4.585 -7.663 1.00 0.00 C ATOM 345 C ALA A 919 29.069 3.282 -7.689 1.00 0.00 C ATOM 346 O ALA A 919 27.977 3.201 -7.126 1.00 0.00 O ATOM 347 CB ALA A 919 30.871 4.569 -6.524 1.00 0.00 C ATOM 0 H ALA A 919 29.015 6.195 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 919 30.400 4.678 -8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 919 31.532 3.710 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 919 31.460 5.486 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 919 30.345 4.500 -5.572 1.00 0.00 H new ATOM 353 N SER A 920 29.618 2.269 -8.349 1.00 0.00 N ATOM 354 CA SER A 920 28.950 0.975 -8.448 1.00 0.00 C ATOM 355 C SER A 920 29.252 0.111 -7.228 1.00 0.00 C ATOM 356 O SER A 920 28.356 -0.518 -6.665 1.00 0.00 O ATOM 357 CB SER A 920 29.386 0.248 -9.722 1.00 0.00 C ATOM 358 OG SER A 920 30.788 0.035 -9.733 1.00 0.00 O ATOM 0 H SER A 920 30.520 2.317 -8.822 1.00 0.00 H new ATOM 0 HA SER A 920 27.875 1.152 -8.488 1.00 0.00 H new ATOM 0 HB2 SER A 920 28.869 -0.709 -9.794 1.00 0.00 H new ATOM 0 HB3 SER A 920 29.097 0.833 -10.595 1.00 0.00 H new ATOM 0 HG SER A 920 31.041 -0.433 -10.556 1.00 0.00 H new ATOM 364 N ASP A 921 30.517 0.086 -6.823 1.00 0.00 N ATOM 365 CA ASP A 921 30.933 -0.700 -5.667 1.00 0.00 C ATOM 366 C ASP A 921 30.729 0.088 -4.374 1.00 0.00 C ATOM 367 O ASP A 921 31.116 1.253 -4.280 1.00 0.00 O ATOM 368 CB ASP A 921 32.400 -1.112 -5.807 1.00 0.00 C ATOM 369 CG ASP A 921 33.334 0.080 -5.896 1.00 0.00 C ATOM 370 OD1 ASP A 921 33.184 0.882 -6.841 1.00 0.00 O ATOM 371 OD2 ASP A 921 34.215 0.209 -5.021 1.00 0.00 O ATOM 0 H ASP A 921 31.272 0.600 -7.277 1.00 0.00 H new ATOM 0 HA ASP A 921 30.316 -1.598 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 921 32.684 -1.728 -4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 921 32.517 -1.728 -6.698 1.00 0.00 H new ATOM 376 N PHE A 922 30.120 -0.554 -3.379 1.00 0.00 N ATOM 377 CA PHE A 922 29.866 0.092 -2.095 1.00 0.00 C ATOM 378 C PHE A 922 30.580 -0.631 -0.957 1.00 0.00 C ATOM 379 O PHE A 922 30.602 -1.859 -0.909 1.00 0.00 O ATOM 380 CB PHE A 922 28.366 0.152 -1.803 1.00 0.00 C ATOM 381 CG PHE A 922 27.607 1.054 -2.730 1.00 0.00 C ATOM 382 CD1 PHE A 922 27.388 0.694 -4.049 1.00 0.00 C ATOM 383 CD2 PHE A 922 27.111 2.264 -2.276 1.00 0.00 C ATOM 384 CE1 PHE A 922 26.686 1.528 -4.899 1.00 0.00 C ATOM 385 CE2 PHE A 922 26.410 3.100 -3.120 1.00 0.00 C ATOM 386 CZ PHE A 922 26.196 2.733 -4.434 1.00 0.00 C ATOM 0 H PHE A 922 29.794 -1.519 -3.438 1.00 0.00 H new ATOM 0 HA PHE A 922 30.258 1.107 -2.161 1.00 0.00 H new ATOM 0 HB2 PHE A 922 27.951 -0.854 -1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.218 0.491 -0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 922 27.769 -0.247 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 922 27.275 2.557 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 922 26.521 1.238 -5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 922 26.029 4.041 -2.753 1.00 0.00 H new ATOM 0 HZ PHE A 922 25.647 3.386 -5.096 1.00 0.00 H new ATOM 396 N PRO A 923 31.166 0.126 -0.014 1.00 0.00 N ATOM 397 CA PRO A 923 31.876 -0.450 1.134 1.00 0.00 C ATOM 398 C PRO A 923 30.957 -1.295 2.011 1.00 0.00 C ATOM 399 O PRO A 923 29.821 -0.910 2.284 1.00 0.00 O ATOM 400 CB PRO A 923 32.376 0.777 1.907 1.00 0.00 C ATOM 401 CG PRO A 923 31.515 1.904 1.443 1.00 0.00 C ATOM 402 CD PRO A 923 31.174 1.598 0.014 1.00 0.00 C ATOM 0 HA PRO A 923 32.676 -1.122 0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 923 32.286 0.629 2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.428 0.973 1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 923 30.614 1.984 2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.040 2.856 1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 923 30.206 2.013 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 923 31.911 2.011 -0.675 1.00 0.00 H new ATOM 410 N ILE A 924 31.452 -2.450 2.447 1.00 0.00 N ATOM 411 CA ILE A 924 30.667 -3.345 3.290 1.00 0.00 C ATOM 412 C ILE A 924 30.285 -2.662 4.598 1.00 0.00 C ATOM 413 O ILE A 924 30.955 -1.730 5.042 1.00 0.00 O ATOM 414 CB ILE A 924 31.415 -4.653 3.598 1.00 0.00 C ATOM 415 CG1 ILE A 924 32.022 -5.235 2.318 1.00 0.00 C ATOM 416 CG2 ILE A 924 30.456 -5.649 4.230 1.00 0.00 C ATOM 417 CD1 ILE A 924 32.815 -6.504 2.542 1.00 0.00 C ATOM 0 H ILE A 924 32.390 -2.787 2.231 1.00 0.00 H new ATOM 0 HA ILE A 924 29.765 -3.591 2.730 1.00 0.00 H new ATOM 0 HB ILE A 924 32.226 -4.445 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 924 31.221 -5.438 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 924 32.671 -4.487 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 924 30.986 -6.576 4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 924 30.057 -5.233 5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 924 29.637 -5.853 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 924 33.214 -6.857 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 924 33.638 -6.303 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 924 32.166 -7.268 2.969 1.00 0.00 H new ATOM 429 N GLY A 925 29.189 -3.117 5.197 1.00 0.00 N ATOM 430 CA GLY A 925 28.720 -2.523 6.434 1.00 0.00 C ATOM 431 C GLY A 925 27.885 -1.290 6.165 1.00 0.00 C ATOM 432 O GLY A 925 26.880 -1.048 6.833 1.00 0.00 O ATOM 0 H GLY A 925 28.618 -3.886 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 925 28.130 -3.251 6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 925 29.572 -2.259 7.060 1.00 0.00 H new ATOM 436 N THR A 926 28.303 -0.522 5.166 1.00 0.00 N ATOM 437 CA THR A 926 27.599 0.688 4.772 1.00 0.00 C ATOM 438 C THR A 926 26.141 0.389 4.440 1.00 0.00 C ATOM 439 O THR A 926 25.843 -0.544 3.693 1.00 0.00 O ATOM 440 CB THR A 926 28.272 1.339 3.550 1.00 0.00 C ATOM 441 OG1 THR A 926 29.539 1.895 3.923 1.00 0.00 O ATOM 442 CG2 THR A 926 27.390 2.420 2.949 1.00 0.00 C ATOM 0 H THR A 926 29.135 -0.720 4.610 1.00 0.00 H new ATOM 0 HA THR A 926 27.639 1.377 5.615 1.00 0.00 H new ATOM 0 HB THR A 926 28.425 0.565 2.797 1.00 0.00 H new ATOM 0 HG1 THR A 926 30.210 1.182 3.963 1.00 0.00 H new ATOM 0 HG21 THR A 926 27.891 2.862 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.443 1.983 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 926 27.202 3.192 3.695 1.00 0.00 H new ATOM 450 N SER A 927 25.236 1.188 4.995 1.00 0.00 N ATOM 451 CA SER A 927 23.811 1.010 4.752 1.00 0.00 C ATOM 452 C SER A 927 23.255 2.162 3.922 1.00 0.00 C ATOM 453 O SER A 927 23.483 3.330 4.237 1.00 0.00 O ATOM 454 CB SER A 927 23.055 0.911 6.079 1.00 0.00 C ATOM 455 OG SER A 927 23.528 -0.175 6.856 1.00 0.00 O ATOM 0 H SER A 927 25.465 1.964 5.616 1.00 0.00 H new ATOM 0 HA SER A 927 23.675 0.084 4.194 1.00 0.00 H new ATOM 0 HB2 SER A 927 23.172 1.840 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 927 21.989 0.787 5.886 1.00 0.00 H new ATOM 0 HG SER A 927 23.030 -0.216 7.699 1.00 0.00 H new ATOM 461 N LEU A 928 22.524 1.828 2.864 1.00 0.00 N ATOM 462 CA LEU A 928 21.934 2.845 1.997 1.00 0.00 C ATOM 463 C LEU A 928 20.485 3.111 2.389 1.00 0.00 C ATOM 464 O LEU A 928 19.686 2.184 2.507 1.00 0.00 O ATOM 465 CB LEU A 928 22.009 2.408 0.533 1.00 0.00 C ATOM 466 CG LEU A 928 23.421 2.296 -0.045 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.369 1.775 -1.473 1.00 0.00 C ATOM 468 CD2 LEU A 928 24.125 3.644 0.006 1.00 0.00 C ATOM 0 H LEU A 928 22.326 0.867 2.586 1.00 0.00 H new ATOM 0 HA LEU A 928 22.502 3.767 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 928 21.516 1.441 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.443 3.118 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 928 23.988 1.589 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 928 24.381 1.701 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 928 22.902 0.790 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 928 22.787 2.460 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 928 25.128 3.546 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 928 23.560 4.372 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 928 24.191 3.981 1.041 1.00 0.00 H new ATOM 480 N LYS A 929 20.154 4.382 2.592 1.00 0.00 N ATOM 481 CA LYS A 929 18.802 4.771 2.978 1.00 0.00 C ATOM 482 C LYS A 929 17.906 4.928 1.752 1.00 0.00 C ATOM 483 O LYS A 929 18.321 5.490 0.739 1.00 0.00 O ATOM 484 CB LYS A 929 18.840 6.082 3.768 1.00 0.00 C ATOM 485 CG LYS A 929 17.496 6.485 4.357 1.00 0.00 C ATOM 486 CD LYS A 929 17.015 5.483 5.395 1.00 0.00 C ATOM 487 CE LYS A 929 17.978 5.383 6.568 1.00 0.00 C ATOM 488 NZ LYS A 929 17.526 4.386 7.578 1.00 0.00 N ATOM 0 H LYS A 929 20.805 5.162 2.495 1.00 0.00 H new ATOM 0 HA LYS A 929 18.387 3.983 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 929 19.566 5.988 4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 929 19.193 6.879 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 929 17.580 7.471 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 929 16.758 6.565 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 929 16.030 5.778 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 929 16.904 4.503 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 929 18.967 5.106 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 929 18.075 6.360 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 18.279 4.237 8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 16.672 4.738 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 17.311 3.485 7.105 1.00 0.00 H new ATOM 502 N TYR A 930 16.674 4.430 1.851 1.00 0.00 N ATOM 503 CA TYR A 930 15.721 4.523 0.747 1.00 0.00 C ATOM 504 C TYR A 930 14.364 5.023 1.234 1.00 0.00 C ATOM 505 O TYR A 930 13.818 4.513 2.212 1.00 0.00 O ATOM 506 CB TYR A 930 15.531 3.163 0.067 1.00 0.00 C ATOM 507 CG TYR A 930 16.758 2.632 -0.641 1.00 0.00 C ATOM 508 CD1 TYR A 930 17.871 2.211 0.072 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.797 2.551 -2.027 1.00 0.00 C ATOM 510 CE1 TYR A 930 18.989 1.721 -0.576 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.912 2.064 -2.682 1.00 0.00 C ATOM 512 CZ TYR A 930 19.005 1.649 -1.952 1.00 0.00 C ATOM 513 OH TYR A 930 20.117 1.164 -2.600 1.00 0.00 O ATOM 0 H TYR A 930 16.314 3.960 2.681 1.00 0.00 H new ATOM 0 HA TYR A 930 16.132 5.233 0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.219 2.437 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.718 3.244 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 930 17.864 2.267 1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.942 2.874 -2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 930 19.847 1.396 -0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.927 2.009 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 930 19.964 1.179 -3.568 1.00 0.00 H new ATOM 523 N GLU A 931 13.817 6.014 0.534 1.00 0.00 N ATOM 524 CA GLU A 931 12.515 6.568 0.884 1.00 0.00 C ATOM 525 C GLU A 931 11.417 5.903 0.063 1.00 0.00 C ATOM 526 O GLU A 931 11.366 6.061 -1.156 1.00 0.00 O ATOM 527 CB GLU A 931 12.493 8.077 0.638 1.00 0.00 C ATOM 528 CG GLU A 931 13.567 8.835 1.399 1.00 0.00 C ATOM 529 CD GLU A 931 13.524 10.328 1.134 1.00 0.00 C ATOM 530 OE1 GLU A 931 12.485 10.954 1.429 1.00 0.00 O ATOM 531 OE2 GLU A 931 14.531 10.870 0.631 1.00 0.00 O ATOM 0 H GLU A 931 14.256 6.448 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 931 12.337 6.376 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 931 12.615 8.264 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 931 11.515 8.468 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 931 13.446 8.655 2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 931 14.547 8.448 1.120 1.00 0.00 H new ATOM 538 N CYS A 932 10.541 5.160 0.730 1.00 0.00 N ATOM 539 CA CYS A 932 9.449 4.479 0.045 1.00 0.00 C ATOM 540 C CYS A 932 8.587 5.489 -0.707 1.00 0.00 C ATOM 541 O CYS A 932 8.395 6.615 -0.247 1.00 0.00 O ATOM 542 CB CYS A 932 8.599 3.686 1.040 1.00 0.00 C ATOM 543 SG CYS A 932 7.868 2.170 0.345 1.00 0.00 S ATOM 0 H CYS A 932 10.565 5.014 1.739 1.00 0.00 H new ATOM 0 HA CYS A 932 9.875 3.779 -0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 932 9.216 3.419 1.898 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.799 4.327 1.410 1.00 0.00 H new ATOM 548 N ARG A 933 8.076 5.089 -1.867 1.00 0.00 N ATOM 549 CA ARG A 933 7.246 5.971 -2.679 1.00 0.00 C ATOM 550 C ARG A 933 5.797 5.963 -2.188 1.00 0.00 C ATOM 551 O ARG A 933 5.377 5.038 -1.494 1.00 0.00 O ATOM 552 CB ARG A 933 7.318 5.563 -4.153 1.00 0.00 C ATOM 553 CG ARG A 933 6.818 4.156 -4.426 1.00 0.00 C ATOM 554 CD ARG A 933 6.932 3.798 -5.901 1.00 0.00 C ATOM 555 NE ARG A 933 6.504 4.889 -6.774 1.00 0.00 N ATOM 556 CZ ARG A 933 5.271 5.389 -6.791 1.00 0.00 C ATOM 557 NH1 ARG A 933 4.336 4.892 -5.992 1.00 0.00 N ATOM 558 NH2 ARG A 933 4.971 6.386 -7.611 1.00 0.00 N ATOM 0 H ARG A 933 8.222 4.161 -2.265 1.00 0.00 H new ATOM 0 HA ARG A 933 7.629 6.987 -2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 933 6.733 6.267 -4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 933 8.351 5.643 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 933 7.391 3.444 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 933 5.778 4.071 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 933 7.965 3.537 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 933 6.327 2.914 -6.105 1.00 0.00 H new ATOM 0 HE ARG A 933 7.193 5.292 -7.409 1.00 0.00 H new ATOM 0 HH11 ARG A 933 4.561 4.123 -5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 933 3.392 5.279 -6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 933 5.685 6.770 -8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 933 4.026 6.769 -7.624 1.00 0.00 H new ATOM 572 N PRO A 934 5.021 7.014 -2.526 1.00 0.00 N ATOM 573 CA PRO A 934 3.616 7.147 -2.106 1.00 0.00 C ATOM 574 C PRO A 934 2.695 6.091 -2.717 1.00 0.00 C ATOM 575 O PRO A 934 1.835 6.403 -3.540 1.00 0.00 O ATOM 576 CB PRO A 934 3.225 8.544 -2.597 1.00 0.00 C ATOM 577 CG PRO A 934 4.167 8.833 -3.710 1.00 0.00 C ATOM 578 CD PRO A 934 5.459 8.164 -3.337 1.00 0.00 C ATOM 0 HA PRO A 934 3.513 7.007 -1.030 1.00 0.00 H new ATOM 0 HB2 PRO A 934 2.190 8.568 -2.938 1.00 0.00 H new ATOM 0 HB3 PRO A 934 3.315 9.283 -1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 934 3.786 8.447 -4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 934 4.305 9.907 -3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 934 6.017 7.846 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 934 6.109 8.831 -2.771 1.00 0.00 H new ATOM 586 N GLU A 935 2.877 4.843 -2.297 1.00 0.00 N ATOM 587 CA GLU A 935 2.065 3.737 -2.784 1.00 0.00 C ATOM 588 C GLU A 935 2.375 2.471 -1.992 1.00 0.00 C ATOM 589 O GLU A 935 1.772 1.422 -2.216 1.00 0.00 O ATOM 590 CB GLU A 935 2.316 3.504 -4.277 1.00 0.00 C ATOM 591 CG GLU A 935 1.400 2.458 -4.894 1.00 0.00 C ATOM 592 CD GLU A 935 1.648 2.269 -6.378 1.00 0.00 C ATOM 593 OE1 GLU A 935 2.781 1.899 -6.750 1.00 0.00 O ATOM 594 OE2 GLU A 935 0.706 2.489 -7.169 1.00 0.00 O ATOM 0 H GLU A 935 3.586 4.573 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 935 1.014 3.990 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 935 2.188 4.446 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 935 3.352 3.196 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 935 1.543 1.507 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.362 2.751 -4.737 1.00 0.00 H new ATOM 601 N TYR A 936 3.328 2.575 -1.063 1.00 0.00 N ATOM 602 CA TYR A 936 3.723 1.436 -0.240 1.00 0.00 C ATOM 603 C TYR A 936 4.022 1.865 1.189 1.00 0.00 C ATOM 604 O TYR A 936 4.710 2.860 1.421 1.00 0.00 O ATOM 605 CB TYR A 936 4.956 0.748 -0.825 1.00 0.00 C ATOM 606 CG TYR A 936 4.794 0.359 -2.270 1.00 0.00 C ATOM 607 CD1 TYR A 936 4.985 1.288 -3.282 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.447 -0.935 -2.620 1.00 0.00 C ATOM 609 CE1 TYR A 936 4.830 0.936 -4.607 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.290 -1.297 -3.939 1.00 0.00 C ATOM 611 CZ TYR A 936 4.481 -0.358 -4.933 1.00 0.00 C ATOM 612 OH TYR A 936 4.325 -0.714 -6.253 1.00 0.00 O ATOM 0 H TYR A 936 3.838 3.436 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 936 2.887 0.737 -0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.814 1.414 -0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 936 5.178 -0.144 -0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 936 5.259 2.302 -3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 936 4.297 -1.673 -1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 936 4.981 1.670 -5.385 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.019 -2.311 -4.195 1.00 0.00 H new ATOM 0 HH TYR A 936 3.836 -0.009 -6.726 1.00 0.00 H new ATOM 622 N TYR A 937 3.507 1.100 2.142 1.00 0.00 N ATOM 623 CA TYR A 937 3.727 1.394 3.555 1.00 0.00 C ATOM 624 C TYR A 937 4.795 0.470 4.135 1.00 0.00 C ATOM 625 O TYR A 937 4.824 -0.724 3.836 1.00 0.00 O ATOM 626 CB TYR A 937 2.413 1.286 4.350 1.00 0.00 C ATOM 627 CG TYR A 937 1.833 -0.115 4.459 1.00 0.00 C ATOM 628 CD1 TYR A 937 2.423 -1.077 5.273 1.00 0.00 C ATOM 629 CD2 TYR A 937 0.686 -0.469 3.757 1.00 0.00 C ATOM 630 CE1 TYR A 937 1.890 -2.348 5.379 1.00 0.00 C ATOM 631 CE2 TYR A 937 0.149 -1.738 3.859 1.00 0.00 C ATOM 632 CZ TYR A 937 0.753 -2.672 4.671 1.00 0.00 C ATOM 633 OH TYR A 937 0.221 -3.937 4.775 1.00 0.00 O ATOM 0 H TYR A 937 2.936 0.274 1.965 1.00 0.00 H new ATOM 0 HA TYR A 937 4.084 2.421 3.639 1.00 0.00 H new ATOM 0 HB2 TYR A 937 2.583 1.670 5.356 1.00 0.00 H new ATOM 0 HB3 TYR A 937 1.671 1.933 3.883 1.00 0.00 H new ATOM 0 HD1 TYR A 937 3.313 -0.826 5.832 1.00 0.00 H new ATOM 0 HD2 TYR A 937 0.207 0.261 3.121 1.00 0.00 H new ATOM 0 HE1 TYR A 937 2.362 -3.083 6.013 1.00 0.00 H new ATOM 0 HE2 TYR A 937 -0.741 -1.996 3.304 1.00 0.00 H new ATOM 0 HH TYR A 937 -0.580 -4.002 4.214 1.00 0.00 H new ATOM 643 N GLY A 938 5.676 1.026 4.961 1.00 0.00 N ATOM 644 CA GLY A 938 6.727 0.223 5.560 1.00 0.00 C ATOM 645 C GLY A 938 7.869 1.052 6.113 1.00 0.00 C ATOM 646 O GLY A 938 8.895 0.505 6.517 1.00 0.00 O ATOM 0 H GLY A 938 5.682 2.011 5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 938 6.302 -0.380 6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 938 7.117 -0.469 4.814 1.00 0.00 H new ATOM 650 N ARG A 939 7.694 2.372 6.133 1.00 0.00 N ATOM 651 CA ARG A 939 8.723 3.276 6.644 1.00 0.00 C ATOM 652 C ARG A 939 9.992 3.208 5.795 1.00 0.00 C ATOM 653 O ARG A 939 10.239 2.215 5.112 1.00 0.00 O ATOM 654 CB ARG A 939 9.062 2.932 8.095 1.00 0.00 C ATOM 655 CG ARG A 939 7.884 3.045 9.043 1.00 0.00 C ATOM 656 CD ARG A 939 8.293 2.689 10.462 1.00 0.00 C ATOM 657 NE ARG A 939 7.179 2.798 11.402 1.00 0.00 N ATOM 658 CZ ARG A 939 6.555 3.939 11.683 1.00 0.00 C ATOM 659 NH1 ARG A 939 6.945 5.072 11.112 1.00 0.00 N ATOM 660 NH2 ARG A 939 5.543 3.948 12.540 1.00 0.00 N ATOM 0 H ARG A 939 6.850 2.839 5.802 1.00 0.00 H new ATOM 0 HA ARG A 939 8.326 4.290 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 939 9.453 1.915 8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 939 9.858 3.593 8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 939 7.489 4.060 9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 939 7.083 2.383 8.714 1.00 0.00 H new ATOM 0 HD2 ARG A 939 8.684 1.672 10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 939 9.101 3.347 10.781 1.00 0.00 H new ATOM 0 HE ARG A 939 6.861 1.949 11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 939 7.725 5.070 10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 939 6.464 5.945 11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 939 5.243 3.080 12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 939 5.065 4.823 12.755 1.00 0.00 H new ATOM 674 N PRO A 940 10.825 4.265 5.834 1.00 0.00 N ATOM 675 CA PRO A 940 12.075 4.302 5.072 1.00 0.00 C ATOM 676 C PRO A 940 13.070 3.270 5.588 1.00 0.00 C ATOM 677 O PRO A 940 13.506 3.335 6.738 1.00 0.00 O ATOM 678 CB PRO A 940 12.598 5.721 5.296 1.00 0.00 C ATOM 679 CG PRO A 940 11.966 6.165 6.568 1.00 0.00 C ATOM 680 CD PRO A 940 10.626 5.487 6.633 1.00 0.00 C ATOM 0 HA PRO A 940 11.927 4.066 4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 940 13.685 5.734 5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 940 12.326 6.377 4.469 1.00 0.00 H new ATOM 0 HG2 PRO A 940 12.582 5.891 7.424 1.00 0.00 H new ATOM 0 HG3 PRO A 940 11.855 7.249 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 940 10.342 5.255 7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 940 9.837 6.115 6.218 1.00 0.00 H new ATOM 688 N PHE A 941 13.413 2.309 4.738 1.00 0.00 N ATOM 689 CA PHE A 941 14.340 1.250 5.118 1.00 0.00 C ATOM 690 C PHE A 941 15.775 1.589 4.734 1.00 0.00 C ATOM 691 O PHE A 941 16.114 2.747 4.495 1.00 0.00 O ATOM 692 CB PHE A 941 13.917 -0.066 4.462 1.00 0.00 C ATOM 693 CG PHE A 941 13.917 -0.026 2.959 1.00 0.00 C ATOM 694 CD1 PHE A 941 15.076 -0.284 2.243 1.00 0.00 C ATOM 695 CD2 PHE A 941 12.758 0.274 2.262 1.00 0.00 C ATOM 696 CE1 PHE A 941 15.077 -0.246 0.862 1.00 0.00 C ATOM 697 CE2 PHE A 941 12.754 0.313 0.881 1.00 0.00 C ATOM 698 CZ PHE A 941 13.914 0.053 0.180 1.00 0.00 C ATOM 0 H PHE A 941 13.063 2.241 3.782 1.00 0.00 H new ATOM 0 HA PHE A 941 14.306 1.148 6.203 1.00 0.00 H new ATOM 0 HB2 PHE A 941 14.588 -0.858 4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 941 12.917 -0.328 4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 941 15.989 -0.517 2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 941 11.847 0.480 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 941 15.986 -0.450 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 941 11.843 0.547 0.350 1.00 0.00 H new ATOM 0 HZ PHE A 941 13.912 0.083 -0.900 1.00 0.00 H new ATOM 708 N SER A 942 16.605 0.555 4.673 1.00 0.00 N ATOM 709 CA SER A 942 18.011 0.702 4.316 1.00 0.00 C ATOM 710 C SER A 942 18.658 -0.668 4.159 1.00 0.00 C ATOM 711 O SER A 942 18.520 -1.529 5.028 1.00 0.00 O ATOM 712 CB SER A 942 18.752 1.511 5.383 1.00 0.00 C ATOM 713 OG SER A 942 18.683 0.872 6.646 1.00 0.00 O ATOM 0 H SER A 942 16.324 -0.406 4.869 1.00 0.00 H new ATOM 0 HA SER A 942 18.074 1.235 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 942 19.795 1.635 5.091 1.00 0.00 H new ATOM 0 HB3 SER A 942 18.320 2.509 5.453 1.00 0.00 H new ATOM 0 HG SER A 942 18.528 -0.087 6.519 1.00 0.00 H new ATOM 719 N ILE A 943 19.354 -0.874 3.045 1.00 0.00 N ATOM 720 CA ILE A 943 20.003 -2.154 2.791 1.00 0.00 C ATOM 721 C ILE A 943 21.470 -2.140 3.208 1.00 0.00 C ATOM 722 O ILE A 943 22.279 -1.383 2.670 1.00 0.00 O ATOM 723 CB ILE A 943 19.898 -2.562 1.306 1.00 0.00 C ATOM 724 CG1 ILE A 943 20.490 -1.479 0.399 1.00 0.00 C ATOM 725 CG2 ILE A 943 18.449 -2.834 0.937 1.00 0.00 C ATOM 726 CD1 ILE A 943 20.550 -1.880 -1.060 1.00 0.00 C ATOM 0 H ILE A 943 19.482 -0.178 2.311 1.00 0.00 H new ATOM 0 HA ILE A 943 19.474 -2.889 3.398 1.00 0.00 H new ATOM 0 HB ILE A 943 20.473 -3.476 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 943 19.894 -0.571 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 943 21.496 -1.238 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 943 18.389 -3.121 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 943 18.061 -3.642 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 943 17.856 -1.934 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 943 20.980 -1.066 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 943 21.170 -2.770 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 943 19.544 -2.093 -1.420 1.00 0.00 H new ATOM 738 N THR A 944 21.799 -2.994 4.172 1.00 0.00 N ATOM 739 CA THR A 944 23.165 -3.113 4.668 1.00 0.00 C ATOM 740 C THR A 944 23.988 -4.048 3.787 1.00 0.00 C ATOM 741 O THR A 944 23.576 -5.174 3.524 1.00 0.00 O ATOM 742 CB THR A 944 23.185 -3.644 6.116 1.00 0.00 C ATOM 743 OG1 THR A 944 22.588 -2.687 6.999 1.00 0.00 O ATOM 744 CG2 THR A 944 24.605 -3.948 6.568 1.00 0.00 C ATOM 0 H THR A 944 21.133 -3.618 4.628 1.00 0.00 H new ATOM 0 HA THR A 944 23.603 -2.115 4.644 1.00 0.00 H new ATOM 0 HB THR A 944 22.611 -4.570 6.145 1.00 0.00 H new ATOM 0 HG1 THR A 944 22.862 -1.784 6.736 1.00 0.00 H new ATOM 0 HG21 THR A 944 24.589 -4.321 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 944 25.041 -4.703 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 944 25.204 -3.038 6.522 1.00 0.00 H new ATOM 752 N CYS A 945 25.159 -3.593 3.352 1.00 0.00 N ATOM 753 CA CYS A 945 26.036 -4.422 2.525 1.00 0.00 C ATOM 754 C CYS A 945 26.690 -5.496 3.374 1.00 0.00 C ATOM 755 O CYS A 945 27.357 -5.207 4.366 1.00 0.00 O ATOM 756 CB CYS A 945 27.092 -3.556 1.835 1.00 0.00 C ATOM 757 SG CYS A 945 28.497 -4.482 1.135 1.00 0.00 S ATOM 0 H CYS A 945 25.523 -2.662 3.555 1.00 0.00 H new ATOM 0 HA CYS A 945 25.439 -4.908 1.754 1.00 0.00 H new ATOM 0 HB2 CYS A 945 26.613 -2.990 1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 945 27.474 -2.831 2.554 1.00 0.00 H new ATOM 762 N LEU A 946 26.458 -6.741 2.991 1.00 0.00 N ATOM 763 CA LEU A 946 26.986 -7.874 3.729 1.00 0.00 C ATOM 764 C LEU A 946 28.398 -8.245 3.328 1.00 0.00 C ATOM 765 O LEU A 946 28.936 -7.788 2.318 1.00 0.00 O ATOM 766 CB LEU A 946 26.075 -9.085 3.578 1.00 0.00 C ATOM 767 CG LEU A 946 24.648 -8.865 4.049 1.00 0.00 C ATOM 768 CD1 LEU A 946 24.625 -8.299 5.460 1.00 0.00 C ATOM 769 CD2 LEU A 946 23.939 -7.956 3.089 1.00 0.00 C ATOM 0 H LEU A 946 25.906 -6.992 2.171 1.00 0.00 H new ATOM 0 HA LEU A 946 27.021 -7.563 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 946 26.056 -9.380 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 946 26.504 -9.918 4.136 1.00 0.00 H new ATOM 0 HG LEU A 946 24.129 -9.823 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 946 23.592 -8.150 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 946 25.115 -8.996 6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 946 25.151 -7.345 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 946 22.915 -7.798 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 946 24.458 -6.999 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 946 23.928 -8.410 2.098 1.00 0.00 H new ATOM 781 N ASP A 947 28.970 -9.096 4.155 1.00 0.00 N ATOM 782 CA ASP A 947 30.313 -9.610 3.983 1.00 0.00 C ATOM 783 C ASP A 947 30.530 -10.188 2.587 1.00 0.00 C ATOM 784 O ASP A 947 31.580 -9.984 1.977 1.00 0.00 O ATOM 785 CB ASP A 947 30.540 -10.687 5.032 1.00 0.00 C ATOM 786 CG ASP A 947 31.973 -11.184 5.072 1.00 0.00 C ATOM 787 OD1 ASP A 947 32.805 -10.665 4.298 1.00 0.00 O ATOM 788 OD2 ASP A 947 32.263 -12.090 5.880 1.00 0.00 O ATOM 0 H ASP A 947 28.502 -9.458 4.986 1.00 0.00 H new ATOM 0 HA ASP A 947 31.024 -8.792 4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 947 30.270 -10.294 6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 947 29.875 -11.527 4.832 1.00 0.00 H new ATOM 793 N ASN A 948 29.543 -10.934 2.099 1.00 0.00 N ATOM 794 CA ASN A 948 29.644 -11.566 0.788 1.00 0.00 C ATOM 795 C ASN A 948 29.238 -10.613 -0.330 1.00 0.00 C ATOM 796 O ASN A 948 28.715 -11.040 -1.359 1.00 0.00 O ATOM 797 CB ASN A 948 28.773 -12.823 0.741 1.00 0.00 C ATOM 798 CG ASN A 948 29.176 -13.845 1.784 1.00 0.00 C ATOM 799 OD1 ASN A 948 30.307 -14.333 1.788 1.00 0.00 O ATOM 800 ND2 ASN A 948 28.251 -14.174 2.679 1.00 0.00 N ATOM 0 H ASN A 948 28.667 -11.115 2.590 1.00 0.00 H new ATOM 0 HA ASN A 948 30.688 -11.839 0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 948 27.730 -12.545 0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 948 28.842 -13.272 -0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 948 28.465 -14.856 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 948 27.327 -13.745 2.638 1.00 0.00 H new ATOM 807 N LEU A 949 29.506 -9.326 -0.131 1.00 0.00 N ATOM 808 CA LEU A 949 29.190 -8.316 -1.135 1.00 0.00 C ATOM 809 C LEU A 949 27.763 -8.476 -1.645 1.00 0.00 C ATOM 810 O LEU A 949 27.537 -8.639 -2.845 1.00 0.00 O ATOM 811 CB LEU A 949 30.175 -8.424 -2.295 1.00 0.00 C ATOM 812 CG LEU A 949 31.638 -8.545 -1.874 1.00 0.00 C ATOM 813 CD1 LEU A 949 32.538 -8.681 -3.093 1.00 0.00 C ATOM 814 CD2 LEU A 949 32.048 -7.349 -1.034 1.00 0.00 C ATOM 0 H LEU A 949 29.941 -8.958 0.715 1.00 0.00 H new ATOM 0 HA LEU A 949 29.274 -7.332 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 949 29.911 -9.292 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 949 30.065 -7.546 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 949 31.749 -9.444 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 949 33.576 -8.766 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 949 32.258 -9.572 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 949 32.426 -7.802 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 949 33.093 -7.451 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 949 31.921 -6.436 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 949 31.425 -7.301 -0.141 1.00 0.00 H new ATOM 826 N VAL A 950 26.803 -8.448 -0.729 1.00 0.00 N ATOM 827 CA VAL A 950 25.403 -8.609 -1.094 1.00 0.00 C ATOM 828 C VAL A 950 24.494 -7.653 -0.338 1.00 0.00 C ATOM 829 O VAL A 950 24.925 -6.616 0.166 1.00 0.00 O ATOM 830 CB VAL A 950 24.933 -10.042 -0.799 1.00 0.00 C ATOM 831 CG1 VAL A 950 25.651 -11.033 -1.687 1.00 0.00 C ATOM 832 CG2 VAL A 950 25.158 -10.379 0.664 1.00 0.00 C ATOM 0 H VAL A 950 26.968 -8.316 0.269 1.00 0.00 H new ATOM 0 HA VAL A 950 25.337 -8.390 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 950 23.866 -10.105 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 950 25.304 -12.041 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 950 25.443 -10.802 -2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 950 26.724 -10.971 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 950 24.821 -11.397 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 950 26.220 -10.298 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 950 24.595 -9.685 1.288 1.00 0.00 H new ATOM 842 N TRP A 951 23.229 -8.044 -0.253 1.00 0.00 N ATOM 843 CA TRP A 951 22.211 -7.276 0.446 1.00 0.00 C ATOM 844 C TRP A 951 21.166 -8.239 0.995 1.00 0.00 C ATOM 845 O TRP A 951 20.630 -9.070 0.262 1.00 0.00 O ATOM 846 CB TRP A 951 21.548 -6.258 -0.492 1.00 0.00 C ATOM 847 CG TRP A 951 22.522 -5.406 -1.252 1.00 0.00 C ATOM 848 CD1 TRP A 951 22.960 -5.607 -2.531 1.00 0.00 C ATOM 849 CD2 TRP A 951 23.193 -4.233 -0.780 1.00 0.00 C ATOM 850 NE1 TRP A 951 23.853 -4.622 -2.884 1.00 0.00 N ATOM 851 CE2 TRP A 951 24.013 -3.769 -1.826 1.00 0.00 C ATOM 852 CE3 TRP A 951 23.180 -3.524 0.426 1.00 0.00 C ATOM 853 CZ2 TRP A 951 24.807 -2.631 -1.704 1.00 0.00 C ATOM 854 CZ3 TRP A 951 23.970 -2.397 0.545 1.00 0.00 C ATOM 855 CH2 TRP A 951 24.773 -1.960 -0.515 1.00 0.00 C ATOM 0 H TRP A 951 22.880 -8.907 -0.670 1.00 0.00 H new ATOM 0 HA TRP A 951 22.677 -6.722 1.261 1.00 0.00 H new ATOM 0 HB2 TRP A 951 20.916 -6.791 -1.202 1.00 0.00 H new ATOM 0 HB3 TRP A 951 20.895 -5.611 0.093 1.00 0.00 H new ATOM 0 HD1 TRP A 951 22.650 -6.420 -3.171 1.00 0.00 H new ATOM 0 HE1 TRP A 951 24.320 -4.541 -3.787 1.00 0.00 H new ATOM 0 HE3 TRP A 951 22.563 -3.852 1.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 25.427 -2.292 -2.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 23.968 -1.843 1.472 1.00 0.00 H new ATOM 0 HH2 TRP A 951 25.378 -1.074 -0.390 1.00 0.00 H new ATOM 866 N SER A 952 20.915 -8.152 2.297 1.00 0.00 N ATOM 867 CA SER A 952 19.964 -9.044 2.962 1.00 0.00 C ATOM 868 C SER A 952 18.520 -8.793 2.542 1.00 0.00 C ATOM 869 O SER A 952 17.591 -9.098 3.289 1.00 0.00 O ATOM 870 CB SER A 952 20.096 -8.923 4.481 1.00 0.00 C ATOM 871 OG SER A 952 19.839 -7.598 4.911 1.00 0.00 O ATOM 0 H SER A 952 21.356 -7.472 2.916 1.00 0.00 H new ATOM 0 HA SER A 952 20.215 -10.058 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 952 19.400 -9.607 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 952 21.099 -9.220 4.787 1.00 0.00 H new ATOM 0 HG SER A 952 19.928 -7.547 5.886 1.00 0.00 H new ATOM 877 N SER A 953 18.346 -8.285 1.332 1.00 0.00 N ATOM 878 CA SER A 953 17.025 -8.027 0.763 1.00 0.00 C ATOM 879 C SER A 953 16.125 -7.197 1.686 1.00 0.00 C ATOM 880 O SER A 953 15.948 -7.519 2.859 1.00 0.00 O ATOM 881 CB SER A 953 16.345 -9.355 0.445 1.00 0.00 C ATOM 882 OG SER A 953 15.013 -9.158 0.001 1.00 0.00 O ATOM 0 H SER A 953 19.117 -8.038 0.712 1.00 0.00 H new ATOM 0 HA SER A 953 17.174 -7.441 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 953 16.912 -9.882 -0.322 1.00 0.00 H new ATOM 0 HB3 SER A 953 16.345 -9.988 1.333 1.00 0.00 H new ATOM 0 HG SER A 953 14.603 -10.026 -0.197 1.00 0.00 H new ATOM 888 N PRO A 954 15.524 -6.118 1.152 1.00 0.00 N ATOM 889 CA PRO A 954 14.620 -5.246 1.912 1.00 0.00 C ATOM 890 C PRO A 954 13.299 -5.940 2.238 1.00 0.00 C ATOM 891 O PRO A 954 12.253 -5.596 1.687 1.00 0.00 O ATOM 892 CB PRO A 954 14.375 -4.058 0.968 1.00 0.00 C ATOM 893 CG PRO A 954 15.393 -4.195 -0.112 1.00 0.00 C ATOM 894 CD PRO A 954 15.661 -5.664 -0.236 1.00 0.00 C ATOM 0 HA PRO A 954 15.047 -4.958 2.873 1.00 0.00 H new ATOM 0 HB2 PRO A 954 13.364 -4.082 0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 954 14.485 -3.109 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 954 15.024 -3.784 -1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 954 16.304 -3.651 0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 954 14.947 -6.154 -0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 954 16.655 -5.865 -0.635 1.00 0.00 H new ATOM 902 N LYS A 955 13.355 -6.927 3.126 1.00 0.00 N ATOM 903 CA LYS A 955 12.163 -7.675 3.513 1.00 0.00 C ATOM 904 C LYS A 955 11.332 -6.896 4.529 1.00 0.00 C ATOM 905 O LYS A 955 11.862 -6.391 5.519 1.00 0.00 O ATOM 906 CB LYS A 955 12.561 -9.031 4.101 1.00 0.00 C ATOM 907 CG LYS A 955 11.375 -9.911 4.457 1.00 0.00 C ATOM 908 CD LYS A 955 11.811 -11.198 5.142 1.00 0.00 C ATOM 909 CE LYS A 955 12.678 -12.056 4.234 1.00 0.00 C ATOM 910 NZ LYS A 955 13.097 -13.321 4.900 1.00 0.00 N ATOM 0 H LYS A 955 14.212 -7.228 3.591 1.00 0.00 H new ATOM 0 HA LYS A 955 11.557 -7.831 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 955 13.191 -9.558 3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 955 13.163 -8.867 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 955 10.699 -9.362 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 955 10.817 -10.152 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 955 12.363 -10.957 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 955 10.931 -11.765 5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 955 12.128 -12.290 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 955 13.562 -11.492 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 13.686 -13.878 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 13.643 -13.098 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 12.254 -13.872 5.161 1.00 0.00 H new ATOM 924 N ASP A 956 10.027 -6.805 4.276 1.00 0.00 N ATOM 925 CA ASP A 956 9.120 -6.089 5.169 1.00 0.00 C ATOM 926 C ASP A 956 9.601 -4.658 5.384 1.00 0.00 C ATOM 927 O ASP A 956 10.111 -4.318 6.452 1.00 0.00 O ATOM 928 CB ASP A 956 9.009 -6.820 6.512 1.00 0.00 C ATOM 929 CG ASP A 956 7.945 -6.227 7.416 1.00 0.00 C ATOM 930 OD1 ASP A 956 8.067 -5.039 7.783 1.00 0.00 O ATOM 931 OD2 ASP A 956 6.987 -6.951 7.758 1.00 0.00 O ATOM 0 H ASP A 956 9.575 -7.218 3.460 1.00 0.00 H new ATOM 0 HA ASP A 956 8.134 -6.056 4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 956 8.782 -7.871 6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 956 9.972 -6.785 7.021 1.00 0.00 H new ATOM 936 N VAL A 957 9.451 -3.825 4.357 1.00 0.00 N ATOM 937 CA VAL A 957 9.888 -2.435 4.431 1.00 0.00 C ATOM 938 C VAL A 957 9.047 -1.527 3.539 1.00 0.00 C ATOM 939 O VAL A 957 9.048 -0.309 3.709 1.00 0.00 O ATOM 940 CB VAL A 957 11.365 -2.289 4.022 1.00 0.00 C ATOM 941 CG1 VAL A 957 12.282 -2.938 5.047 1.00 0.00 C ATOM 942 CG2 VAL A 957 11.592 -2.878 2.638 1.00 0.00 C ATOM 0 H VAL A 957 9.031 -4.089 3.466 1.00 0.00 H new ATOM 0 HA VAL A 957 9.763 -2.132 5.470 1.00 0.00 H new ATOM 0 HB VAL A 957 11.607 -1.227 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 957 13.319 -2.820 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 957 12.140 -2.461 6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 957 12.045 -3.999 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 957 12.641 -2.767 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 957 11.328 -3.936 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 957 10.969 -2.354 1.913 1.00 0.00 H new ATOM 952 N CYS A 958 8.337 -2.121 2.587 1.00 0.00 N ATOM 953 CA CYS A 958 7.503 -1.346 1.674 1.00 0.00 C ATOM 954 C CYS A 958 6.316 -2.147 1.153 1.00 0.00 C ATOM 955 O CYS A 958 6.039 -2.142 -0.048 1.00 0.00 O ATOM 956 CB CYS A 958 8.325 -0.825 0.495 1.00 0.00 C ATOM 957 SG CYS A 958 9.217 0.728 0.828 1.00 0.00 S ATOM 0 H CYS A 958 8.321 -3.128 2.427 1.00 0.00 H new ATOM 0 HA CYS A 958 7.115 -0.504 2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 958 9.046 -1.589 0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 958 7.661 -0.673 -0.356 1.00 0.00 H new ATOM 962 N LYS A 959 5.596 -2.804 2.054 1.00 0.00 N ATOM 963 CA LYS A 959 4.417 -3.565 1.659 1.00 0.00 C ATOM 964 C LYS A 959 3.459 -2.629 0.934 1.00 0.00 C ATOM 965 O LYS A 959 3.373 -1.452 1.278 1.00 0.00 O ATOM 966 CB LYS A 959 3.739 -4.182 2.885 1.00 0.00 C ATOM 967 CG LYS A 959 4.623 -5.160 3.643 1.00 0.00 C ATOM 968 CD LYS A 959 4.960 -6.380 2.800 1.00 0.00 C ATOM 969 CE LYS A 959 5.859 -7.347 3.554 1.00 0.00 C ATOM 970 NZ LYS A 959 5.225 -7.826 4.814 1.00 0.00 N ATOM 0 H LYS A 959 5.804 -2.826 3.052 1.00 0.00 H new ATOM 0 HA LYS A 959 4.709 -4.380 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 959 3.433 -3.383 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 959 2.832 -4.696 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 959 5.543 -4.660 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 959 4.118 -5.476 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 959 4.040 -6.888 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 959 5.454 -6.064 1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 959 6.090 -8.200 2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 959 6.805 -6.858 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 5.749 -8.648 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 5.243 -7.065 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 4.240 -8.099 4.625 1.00 0.00 H new ATOM 984 N ARG A 960 2.766 -3.127 -0.084 1.00 0.00 N ATOM 985 CA ARG A 960 1.859 -2.275 -0.843 1.00 0.00 C ATOM 986 C ARG A 960 0.869 -1.559 0.065 1.00 0.00 C ATOM 987 O ARG A 960 0.242 -2.170 0.929 1.00 0.00 O ATOM 988 CB ARG A 960 1.091 -3.059 -1.903 1.00 0.00 C ATOM 989 CG ARG A 960 0.142 -2.173 -2.696 1.00 0.00 C ATOM 990 CD ARG A 960 -0.673 -2.955 -3.706 1.00 0.00 C ATOM 991 NE ARG A 960 0.167 -3.599 -4.713 1.00 0.00 N ATOM 992 CZ ARG A 960 -0.313 -4.315 -5.725 1.00 0.00 C ATOM 993 NH1 ARG A 960 -1.623 -4.472 -5.868 1.00 0.00 N ATOM 994 NH2 ARG A 960 0.516 -4.875 -6.596 1.00 0.00 N ATOM 0 H ARG A 960 2.812 -4.096 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 960 2.485 -1.535 -1.341 1.00 0.00 H new ATOM 0 HB2 ARG A 960 1.797 -3.534 -2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 960 0.525 -3.857 -1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 960 -0.531 -1.661 -2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 960 0.715 -1.404 -3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -1.261 -3.712 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 960 -1.378 -2.285 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 960 1.179 -3.493 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -2.264 -4.043 -5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 960 -1.989 -5.022 -6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 960 1.524 -4.757 -6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 960 0.146 -5.424 -7.372 1.00 0.00 H new ATOM 1008 N LYS A 961 0.736 -0.258 -0.159 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.176 0.574 0.610 1.00 0.00 C ATOM 1010 C LYS A 961 -1.597 0.030 0.537 1.00 0.00 C ATOM 1011 O LYS A 961 -1.960 -0.652 -0.420 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.148 2.005 0.076 1.00 0.00 C ATOM 1013 CG LYS A 961 -1.035 2.965 0.855 1.00 0.00 C ATOM 1014 CD LYS A 961 -0.540 3.177 2.278 1.00 0.00 C ATOM 1015 CE LYS A 961 0.648 4.127 2.326 1.00 0.00 C ATOM 1016 NZ LYS A 961 1.824 3.597 1.586 1.00 0.00 N ATOM 0 H LYS A 961 1.256 0.247 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 961 0.147 0.565 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 961 0.878 2.372 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -0.461 2.000 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 961 -1.072 3.924 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 961 -2.053 2.577 0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 961 -1.350 3.576 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 961 -0.256 2.218 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 961 0.359 5.089 1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 961 0.926 4.306 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 2.691 3.793 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 1.720 2.570 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 1.884 4.057 0.655 1.00 0.00 H new ATOM 1030 N SER A 962 -2.398 0.337 1.550 1.00 0.00 N ATOM 1031 CA SER A 962 -3.780 -0.119 1.594 1.00 0.00 C ATOM 1032 C SER A 962 -4.655 0.875 2.346 1.00 0.00 C ATOM 1033 O SER A 962 -4.271 1.379 3.403 1.00 0.00 O ATOM 1034 CB SER A 962 -3.865 -1.494 2.257 1.00 0.00 C ATOM 1035 OG SER A 962 -3.373 -1.451 3.585 1.00 0.00 O ATOM 0 H SER A 962 -2.113 0.900 2.352 1.00 0.00 H new ATOM 0 HA SER A 962 -4.144 -0.195 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 962 -4.900 -1.836 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 962 -3.292 -2.217 1.677 1.00 0.00 H new ATOM 0 HG SER A 962 -3.440 -2.342 3.988 1.00 0.00 H new ATOM 1041 N CYS A 963 -5.834 1.155 1.798 1.00 0.00 N ATOM 1042 CA CYS A 963 -6.762 2.091 2.422 1.00 0.00 C ATOM 1043 C CYS A 963 -7.555 1.402 3.526 1.00 0.00 C ATOM 1044 O CYS A 963 -8.735 1.685 3.725 1.00 0.00 O ATOM 1045 CB CYS A 963 -7.724 2.661 1.375 1.00 0.00 C ATOM 1046 SG CYS A 963 -6.909 3.513 -0.015 1.00 0.00 S ATOM 0 H CYS A 963 -6.168 0.748 0.925 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.184 2.906 2.859 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.334 1.849 0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -8.402 3.359 1.865 1.00 0.00 H new ATOM 1051 N LYS A 964 -6.890 0.498 4.240 1.00 0.00 N ATOM 1052 CA LYS A 964 -7.515 -0.248 5.326 1.00 0.00 C ATOM 1053 C LYS A 964 -8.683 -1.081 4.802 1.00 0.00 C ATOM 1054 O LYS A 964 -9.512 -0.589 4.037 1.00 0.00 O ATOM 1055 CB LYS A 964 -7.994 0.711 6.414 1.00 0.00 C ATOM 1056 CG LYS A 964 -8.722 0.028 7.563 1.00 0.00 C ATOM 1057 CD LYS A 964 -7.818 -0.948 8.299 1.00 0.00 C ATOM 1058 CE LYS A 964 -8.547 -1.625 9.449 1.00 0.00 C ATOM 1059 NZ LYS A 964 -7.668 -2.581 10.177 1.00 0.00 N ATOM 0 H LYS A 964 -5.910 0.264 4.083 1.00 0.00 H new ATOM 0 HA LYS A 964 -6.775 -0.925 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -7.135 1.252 6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -8.657 1.451 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -9.089 0.781 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -9.593 -0.502 7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -7.454 -1.704 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -6.945 -0.419 8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -8.913 -0.868 10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -9.419 -2.154 9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -8.202 -3.021 10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -7.339 -3.318 9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -6.848 -2.072 10.566 1.00 0.00 H new ATOM 1073 N THR A 965 -8.747 -2.346 5.208 1.00 0.00 N ATOM 1074 CA THR A 965 -9.822 -3.219 4.757 1.00 0.00 C ATOM 1075 C THR A 965 -11.176 -2.587 5.057 1.00 0.00 C ATOM 1076 O THR A 965 -11.443 -2.178 6.187 1.00 0.00 O ATOM 1077 CB THR A 965 -9.757 -4.608 5.417 1.00 0.00 C ATOM 1078 OG1 THR A 965 -8.434 -5.146 5.297 1.00 0.00 O ATOM 1079 CG2 THR A 965 -10.753 -5.559 4.764 1.00 0.00 C ATOM 0 H THR A 965 -8.076 -2.783 5.840 1.00 0.00 H new ATOM 0 HA THR A 965 -9.698 -3.347 3.682 1.00 0.00 H new ATOM 0 HB THR A 965 -10.012 -4.499 6.471 1.00 0.00 H new ATOM 0 HG1 THR A 965 -8.400 -6.029 5.721 1.00 0.00 H new ATOM 0 HG21 THR A 965 -10.692 -6.536 5.244 1.00 0.00 H new ATOM 0 HG22 THR A 965 -11.762 -5.162 4.876 1.00 0.00 H new ATOM 0 HG23 THR A 965 -10.518 -5.660 3.704 1.00 0.00 H new ATOM 1087 N PRO A 966 -12.047 -2.487 4.042 1.00 0.00 N ATOM 1088 CA PRO A 966 -13.377 -1.889 4.198 1.00 0.00 C ATOM 1089 C PRO A 966 -14.303 -2.731 5.067 1.00 0.00 C ATOM 1090 O PRO A 966 -14.532 -3.906 4.785 1.00 0.00 O ATOM 1091 CB PRO A 966 -13.908 -1.835 2.765 1.00 0.00 C ATOM 1092 CG PRO A 966 -13.178 -2.921 2.056 1.00 0.00 C ATOM 1093 CD PRO A 966 -11.805 -2.943 2.661 1.00 0.00 C ATOM 0 HA PRO A 966 -13.327 -0.920 4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -14.986 -1.996 2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -13.717 -0.864 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -13.679 -3.880 2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -13.131 -2.728 0.984 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -11.368 -3.941 2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -11.119 -2.282 2.131 1.00 0.00 H new ATOM 1101 N PRO A 967 -14.868 -2.133 6.132 1.00 0.00 N ATOM 1102 CA PRO A 967 -15.788 -2.837 7.023 1.00 0.00 C ATOM 1103 C PRO A 967 -17.114 -3.119 6.330 1.00 0.00 C ATOM 1104 O PRO A 967 -17.720 -2.219 5.747 1.00 0.00 O ATOM 1105 CB PRO A 967 -15.981 -1.860 8.184 1.00 0.00 C ATOM 1106 CG PRO A 967 -15.712 -0.517 7.597 1.00 0.00 C ATOM 1107 CD PRO A 967 -14.668 -0.728 6.535 1.00 0.00 C ATOM 0 HA PRO A 967 -15.407 -3.807 7.340 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -16.991 -1.920 8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -15.296 -2.078 9.003 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -16.620 -0.089 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -15.358 0.178 8.359 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -14.805 -0.046 5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -13.663 -0.560 6.921 1.00 0.00 H new ATOM 1115 N ASP A 968 -17.558 -4.369 6.383 1.00 0.00 N ATOM 1116 CA ASP A 968 -18.810 -4.753 5.744 1.00 0.00 C ATOM 1117 C ASP A 968 -19.974 -3.928 6.288 1.00 0.00 C ATOM 1118 O ASP A 968 -20.254 -3.949 7.486 1.00 0.00 O ATOM 1119 CB ASP A 968 -19.078 -6.244 5.953 1.00 0.00 C ATOM 1120 CG ASP A 968 -18.008 -7.120 5.329 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -17.063 -6.567 4.727 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -18.117 -8.359 5.441 1.00 0.00 O ATOM 0 H ASP A 968 -17.073 -5.130 6.859 1.00 0.00 H new ATOM 0 HA ASP A 968 -18.720 -4.557 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -19.137 -6.453 7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -20.047 -6.499 5.525 1.00 0.00 H new ATOM 1127 N PRO A 969 -20.671 -3.187 5.406 1.00 0.00 N ATOM 1128 CA PRO A 969 -21.811 -2.351 5.799 1.00 0.00 C ATOM 1129 C PRO A 969 -22.941 -3.173 6.401 1.00 0.00 C ATOM 1130 O PRO A 969 -23.173 -4.312 5.998 1.00 0.00 O ATOM 1131 CB PRO A 969 -22.266 -1.702 4.485 1.00 0.00 C ATOM 1132 CG PRO A 969 -21.103 -1.835 3.563 1.00 0.00 C ATOM 1133 CD PRO A 969 -20.404 -3.103 3.961 1.00 0.00 C ATOM 0 HA PRO A 969 -21.535 -1.628 6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -23.147 -2.202 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -22.533 -0.656 4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -21.431 -1.880 2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -20.436 -0.977 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -20.799 -3.967 3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -19.336 -3.059 3.750 1.00 0.00 H new ATOM 1141 N VAL A 970 -23.637 -2.587 7.368 1.00 0.00 N ATOM 1142 CA VAL A 970 -24.738 -3.256 8.029 1.00 0.00 C ATOM 1143 C VAL A 970 -25.700 -3.855 7.008 1.00 0.00 C ATOM 1144 O VAL A 970 -26.196 -3.150 6.129 1.00 0.00 O ATOM 1145 CB VAL A 970 -25.498 -2.274 8.932 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -26.542 -3.007 9.744 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -24.533 -1.524 9.837 1.00 0.00 C ATOM 0 H VAL A 970 -23.452 -1.644 7.710 1.00 0.00 H new ATOM 0 HA VAL A 970 -24.324 -4.059 8.638 1.00 0.00 H new ATOM 0 HB VAL A 970 -26.006 -1.544 8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -27.073 -2.298 10.379 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -27.250 -3.493 9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -26.057 -3.759 10.366 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -25.090 -0.833 10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -23.994 -2.235 10.463 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -23.822 -0.966 9.228 1.00 0.00 H new ATOM 1157 N ASN A 971 -25.942 -5.159 7.133 1.00 0.00 N ATOM 1158 CA ASN A 971 -26.831 -5.884 6.226 1.00 0.00 C ATOM 1159 C ASN A 971 -26.154 -6.141 4.881 1.00 0.00 C ATOM 1160 O ASN A 971 -26.165 -7.264 4.377 1.00 0.00 O ATOM 1161 CB ASN A 971 -28.146 -5.125 6.021 1.00 0.00 C ATOM 1162 CG ASN A 971 -28.916 -4.945 7.314 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -29.152 -3.695 7.696 1.00 0.00 O flip ATOM 1164 ND2 ASN A 971 -29.296 -5.919 7.965 1.00 0.00 N flip ATOM 0 H ASN A 971 -25.530 -5.741 7.862 1.00 0.00 H new ATOM 0 HA ASN A 971 -27.056 -6.846 6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -27.934 -4.147 5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -28.766 -5.664 5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -29.094 -6.863 7.636 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -29.813 -5.782 8.833 1.00 0.00 H new ATOM 1171 N GLY A 972 -25.561 -5.097 4.304 1.00 0.00 N ATOM 1172 CA GLY A 972 -24.887 -5.242 3.025 1.00 0.00 C ATOM 1173 C GLY A 972 -23.516 -5.877 3.160 1.00 0.00 C ATOM 1174 O GLY A 972 -23.274 -6.652 4.085 1.00 0.00 O ATOM 0 H GLY A 972 -25.536 -4.157 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -25.502 -5.850 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -24.786 -4.262 2.558 1.00 0.00 H new ATOM 1178 N MET A 973 -22.616 -5.543 2.233 1.00 0.00 N ATOM 1179 CA MET A 973 -21.257 -6.083 2.246 1.00 0.00 C ATOM 1180 C MET A 973 -20.465 -5.589 1.037 1.00 0.00 C ATOM 1181 O MET A 973 -21.009 -5.462 -0.063 1.00 0.00 O ATOM 1182 CB MET A 973 -21.280 -7.617 2.250 1.00 0.00 C ATOM 1183 CG MET A 973 -21.781 -8.233 0.950 1.00 0.00 C ATOM 1184 SD MET A 973 -23.517 -7.877 0.617 1.00 0.00 S ATOM 1185 CE MET A 973 -24.309 -8.751 1.965 1.00 0.00 C ATOM 0 H MET A 973 -22.805 -4.901 1.464 1.00 0.00 H new ATOM 0 HA MET A 973 -20.771 -5.732 3.157 1.00 0.00 H new ATOM 0 HB2 MET A 973 -20.274 -7.985 2.450 1.00 0.00 H new ATOM 0 HB3 MET A 973 -21.913 -7.958 3.069 1.00 0.00 H new ATOM 0 HG2 MET A 973 -21.176 -7.862 0.123 1.00 0.00 H new ATOM 0 HG3 MET A 973 -21.639 -9.313 0.989 1.00 0.00 H new ATOM 0 HE1 MET A 973 -24.900 -9.576 1.567 1.00 0.00 H new ATOM 0 HE2 MET A 973 -23.549 -9.142 2.641 1.00 0.00 H new ATOM 0 HE3 MET A 973 -24.961 -8.067 2.509 1.00 0.00 H new ATOM 1195 N VAL A 974 -19.176 -5.318 1.241 1.00 0.00 N ATOM 1196 CA VAL A 974 -18.320 -4.855 0.155 1.00 0.00 C ATOM 1197 C VAL A 974 -17.601 -6.027 -0.500 1.00 0.00 C ATOM 1198 O VAL A 974 -16.989 -6.852 0.179 1.00 0.00 O ATOM 1199 CB VAL A 974 -17.270 -3.828 0.632 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -16.305 -4.453 1.629 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -16.506 -3.266 -0.556 1.00 0.00 C ATOM 0 H VAL A 974 -18.707 -5.411 2.142 1.00 0.00 H new ATOM 0 HA VAL A 974 -18.974 -4.366 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 974 -17.796 -3.015 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -15.577 -3.707 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -16.860 -4.812 2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -15.786 -5.288 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -15.769 -2.543 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -15.999 -4.077 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -17.201 -2.774 -1.236 1.00 0.00 H new ATOM 1211 N HIS A 975 -17.678 -6.100 -1.821 1.00 0.00 N ATOM 1212 CA HIS A 975 -17.030 -7.174 -2.555 1.00 0.00 C ATOM 1213 C HIS A 975 -15.624 -6.780 -2.976 1.00 0.00 C ATOM 1214 O HIS A 975 -15.439 -5.812 -3.725 1.00 0.00 O ATOM 1215 CB HIS A 975 -17.818 -7.539 -3.814 1.00 0.00 C ATOM 1216 CG HIS A 975 -19.284 -7.716 -3.602 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -19.821 -8.491 -2.597 1.00 0.00 N ATOM 1218 CD2 HIS A 975 -20.332 -7.222 -4.298 1.00 0.00 C ATOM 1219 CE1 HIS A 975 -21.141 -8.466 -2.682 1.00 0.00 C ATOM 1220 NE2 HIS A 975 -21.475 -7.702 -3.707 1.00 0.00 N ATOM 0 H HIS A 975 -18.181 -5.431 -2.403 1.00 0.00 H new ATOM 0 HA HIS A 975 -16.990 -8.031 -1.883 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -17.664 -6.760 -4.561 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -17.410 -8.462 -4.227 1.00 0.00 H new ATOM 0 HD1 HIS A 975 -19.285 -9.004 -1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -20.280 -6.571 -5.158 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -21.827 -8.981 -2.026 1.00 0.00 H new ATOM 1229 N VAL A 976 -14.642 -7.561 -2.542 1.00 0.00 N ATOM 1230 CA VAL A 976 -13.266 -7.320 -2.933 1.00 0.00 C ATOM 1231 C VAL A 976 -13.074 -7.913 -4.320 1.00 0.00 C ATOM 1232 O VAL A 976 -13.028 -9.132 -4.484 1.00 0.00 O ATOM 1233 CB VAL A 976 -12.266 -7.937 -1.935 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -10.836 -7.646 -2.360 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -12.532 -7.413 -0.529 1.00 0.00 C ATOM 0 H VAL A 976 -14.775 -8.361 -1.923 1.00 0.00 H new ATOM 0 HA VAL A 976 -13.071 -6.248 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 976 -12.402 -9.018 -1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -10.146 -8.090 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -10.656 -8.071 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -10.679 -6.568 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -11.819 -7.857 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -12.422 -6.329 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -13.545 -7.678 -0.227 1.00 0.00 H new ATOM 1245 N ILE A 977 -13.029 -7.046 -5.320 1.00 0.00 N ATOM 1246 CA ILE A 977 -12.921 -7.481 -6.705 1.00 0.00 C ATOM 1247 C ILE A 977 -11.524 -7.979 -7.053 1.00 0.00 C ATOM 1248 O ILE A 977 -11.375 -8.960 -7.783 1.00 0.00 O ATOM 1249 CB ILE A 977 -13.326 -6.351 -7.655 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -14.497 -5.583 -7.045 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -13.716 -6.925 -9.010 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -15.112 -4.577 -7.979 1.00 0.00 C ATOM 0 H ILE A 977 -13.066 -6.034 -5.198 1.00 0.00 H new ATOM 0 HA ILE A 977 -13.605 -8.321 -6.826 1.00 0.00 H new ATOM 0 HB ILE A 977 -12.485 -5.672 -7.799 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -15.263 -6.293 -6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -14.155 -5.070 -6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -14.003 -6.114 -9.680 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -12.869 -7.464 -9.434 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -14.556 -7.609 -8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -15.937 -4.071 -7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -14.360 -3.844 -8.270 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -15.486 -5.086 -8.867 1.00 0.00 H new ATOM 1264 N THR A 978 -10.502 -7.316 -6.526 1.00 0.00 N ATOM 1265 CA THR A 978 -9.124 -7.719 -6.787 1.00 0.00 C ATOM 1266 C THR A 978 -8.248 -7.492 -5.570 1.00 0.00 C ATOM 1267 O THR A 978 -7.625 -8.421 -5.057 1.00 0.00 O ATOM 1268 CB THR A 978 -8.511 -6.946 -7.969 1.00 0.00 C ATOM 1269 OG1 THR A 978 -8.507 -5.544 -7.687 1.00 0.00 O ATOM 1270 CG2 THR A 978 -9.282 -7.204 -9.248 1.00 0.00 C ATOM 0 H THR A 978 -10.599 -6.502 -5.919 1.00 0.00 H new ATOM 0 HA THR A 978 -9.160 -8.781 -7.031 1.00 0.00 H new ATOM 0 HB THR A 978 -7.487 -7.295 -8.106 1.00 0.00 H new ATOM 0 HG1 THR A 978 -8.204 -5.052 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 978 -8.827 -6.646 -10.066 1.00 0.00 H new ATOM 0 HG22 THR A 978 -9.258 -8.269 -9.478 1.00 0.00 H new ATOM 0 HG23 THR A 978 -10.316 -6.883 -9.121 1.00 0.00 H new ATOM 1278 N ASP A 979 -8.194 -6.247 -5.118 1.00 0.00 N ATOM 1279 CA ASP A 979 -7.381 -5.902 -3.968 1.00 0.00 C ATOM 1280 C ASP A 979 -7.840 -4.588 -3.344 1.00 0.00 C ATOM 1281 O ASP A 979 -8.193 -3.643 -4.048 1.00 0.00 O ATOM 1282 CB ASP A 979 -5.913 -5.811 -4.388 1.00 0.00 C ATOM 1283 CG ASP A 979 -5.668 -4.752 -5.445 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -5.859 -3.555 -5.143 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -5.285 -5.120 -6.575 1.00 0.00 O ATOM 0 H ASP A 979 -8.702 -5.465 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 979 -7.493 -6.682 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -5.302 -5.592 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -5.588 -6.779 -4.769 1.00 0.00 H new ATOM 1290 N ILE A 980 -7.822 -4.536 -2.018 1.00 0.00 N ATOM 1291 CA ILE A 980 -8.224 -3.336 -1.296 1.00 0.00 C ATOM 1292 C ILE A 980 -7.040 -2.390 -1.143 1.00 0.00 C ATOM 1293 O ILE A 980 -7.183 -1.266 -0.661 1.00 0.00 O ATOM 1294 CB ILE A 980 -8.798 -3.677 0.092 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -7.862 -4.631 0.836 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -10.187 -4.279 -0.048 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -8.354 -5.011 2.216 1.00 0.00 C ATOM 0 H ILE A 980 -7.533 -5.311 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 980 -9.006 -2.849 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 980 -8.880 -2.759 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -7.734 -5.537 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -6.880 -4.167 0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -10.582 -4.516 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -10.846 -3.564 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -10.130 -5.190 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -7.640 -5.689 2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -8.455 -4.113 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -9.322 -5.505 2.134 1.00 0.00 H new ATOM 1309 N GLN A 981 -5.874 -2.858 -1.574 1.00 0.00 N ATOM 1310 CA GLN A 981 -4.651 -2.067 -1.510 1.00 0.00 C ATOM 1311 C GLN A 981 -4.637 -1.009 -2.607 1.00 0.00 C ATOM 1312 O GLN A 981 -5.311 -1.152 -3.628 1.00 0.00 O ATOM 1313 CB GLN A 981 -3.422 -2.971 -1.645 1.00 0.00 C ATOM 1314 CG GLN A 981 -3.118 -3.794 -0.402 1.00 0.00 C ATOM 1315 CD GLN A 981 -4.284 -4.655 0.040 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -4.709 -4.474 1.284 1.00 0.00 O flip ATOM 1317 NE2 GLN A 981 -4.792 -5.476 -0.725 1.00 0.00 N flip ATOM 0 H GLN A 981 -5.750 -3.788 -1.974 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.620 -1.568 -0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -3.572 -3.646 -2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -2.555 -2.354 -1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -2.256 -4.432 -0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -2.840 -3.124 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -4.432 -5.580 -1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -5.573 -6.051 -0.410 1.00 0.00 H new ATOM 1326 N VAL A 982 -3.870 0.053 -2.385 1.00 0.00 N ATOM 1327 CA VAL A 982 -3.763 1.144 -3.347 1.00 0.00 C ATOM 1328 C VAL A 982 -3.462 0.622 -4.749 1.00 0.00 C ATOM 1329 O VAL A 982 -2.309 0.353 -5.092 1.00 0.00 O ATOM 1330 CB VAL A 982 -2.663 2.140 -2.917 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -2.345 3.135 -4.022 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -3.076 2.863 -1.648 1.00 0.00 C ATOM 0 H VAL A 982 -3.310 0.182 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 982 -4.725 1.657 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 982 -1.755 1.570 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -1.567 3.819 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -1.997 2.599 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -3.243 3.701 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -2.292 3.562 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -4.002 3.410 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -3.231 2.137 -0.850 1.00 0.00 H new ATOM 1342 N GLY A 983 -4.510 0.487 -5.559 1.00 0.00 N ATOM 1343 CA GLY A 983 -4.343 0.008 -6.918 1.00 0.00 C ATOM 1344 C GLY A 983 -5.586 -0.673 -7.471 1.00 0.00 C ATOM 1345 O GLY A 983 -5.501 -1.424 -8.443 1.00 0.00 O ATOM 0 H GLY A 983 -5.472 0.702 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -4.079 0.847 -7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -3.509 -0.693 -6.949 1.00 0.00 H new ATOM 1349 N SER A 984 -6.741 -0.413 -6.861 1.00 0.00 N ATOM 1350 CA SER A 984 -7.993 -1.013 -7.319 1.00 0.00 C ATOM 1351 C SER A 984 -9.204 -0.300 -6.718 1.00 0.00 C ATOM 1352 O SER A 984 -9.086 0.799 -6.175 1.00 0.00 O ATOM 1353 CB SER A 984 -8.024 -2.500 -6.958 1.00 0.00 C ATOM 1354 OG SER A 984 -9.166 -3.136 -7.503 1.00 0.00 O ATOM 0 H SER A 984 -6.836 0.204 -6.055 1.00 0.00 H new ATOM 0 HA SER A 984 -8.043 -0.904 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.122 -2.986 -7.330 1.00 0.00 H new ATOM 0 HB3 SER A 984 -8.024 -2.614 -5.874 1.00 0.00 H new ATOM 0 HG SER A 984 -9.140 -4.093 -7.292 1.00 0.00 H new ATOM 1360 N ARG A 985 -10.369 -0.937 -6.820 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.606 -0.369 -6.295 1.00 0.00 C ATOM 1362 C ARG A 985 -12.552 -1.466 -5.808 1.00 0.00 C ATOM 1363 O ARG A 985 -12.727 -2.491 -6.467 1.00 0.00 O ATOM 1364 CB ARG A 985 -12.297 0.471 -7.373 1.00 0.00 C ATOM 1365 CG ARG A 985 -13.615 1.079 -6.921 1.00 0.00 C ATOM 1366 CD ARG A 985 -14.272 1.883 -8.031 1.00 0.00 C ATOM 1367 NE ARG A 985 -14.576 1.059 -9.198 1.00 0.00 N ATOM 1368 CZ ARG A 985 -15.169 1.525 -10.294 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -15.521 2.802 -10.370 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -15.410 0.714 -11.315 1.00 0.00 N ATOM 0 H ARG A 985 -10.481 -1.849 -7.263 1.00 0.00 H new ATOM 0 HA ARG A 985 -11.353 0.267 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -11.625 1.271 -7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -12.476 -0.153 -8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -14.290 0.286 -6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -13.442 1.723 -6.058 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -15.191 2.334 -7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -13.613 2.700 -8.326 1.00 0.00 H new ATOM 0 HE ARG A 985 -14.320 0.072 -9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -15.337 3.429 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -15.975 3.157 -11.212 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -15.141 -0.268 -11.261 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -15.865 1.072 -12.155 1.00 0.00 H new ATOM 1384 N ILE A 986 -13.158 -1.235 -4.648 1.00 0.00 N ATOM 1385 CA ILE A 986 -14.092 -2.190 -4.054 1.00 0.00 C ATOM 1386 C ILE A 986 -15.535 -1.810 -4.361 1.00 0.00 C ATOM 1387 O ILE A 986 -15.902 -0.637 -4.295 1.00 0.00 O ATOM 1388 CB ILE A 986 -13.913 -2.257 -2.530 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -14.023 -0.852 -1.930 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -12.578 -2.899 -2.182 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -13.851 -0.810 -0.429 1.00 0.00 C ATOM 0 H ILE A 986 -13.019 -0.389 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 986 -13.874 -3.165 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 986 -14.703 -2.875 -2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.270 -0.212 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -14.997 -0.434 -2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -12.465 -2.940 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -12.543 -3.910 -2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -11.768 -2.308 -2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -13.942 0.219 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -14.620 -1.422 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -12.867 -1.196 -0.165 1.00 0.00 H new ATOM 1403 N THR A 987 -16.359 -2.802 -4.690 1.00 0.00 N ATOM 1404 CA THR A 987 -17.762 -2.539 -4.992 1.00 0.00 C ATOM 1405 C THR A 987 -18.673 -2.995 -3.867 1.00 0.00 C ATOM 1406 O THR A 987 -18.580 -4.123 -3.397 1.00 0.00 O ATOM 1407 CB THR A 987 -18.210 -3.200 -6.303 1.00 0.00 C ATOM 1408 OG1 THR A 987 -17.698 -4.536 -6.389 1.00 0.00 O ATOM 1409 CG2 THR A 987 -17.749 -2.379 -7.491 1.00 0.00 C ATOM 0 H THR A 987 -16.084 -3.782 -4.754 1.00 0.00 H new ATOM 0 HA THR A 987 -17.844 -1.458 -5.104 1.00 0.00 H new ATOM 0 HB THR A 987 -19.299 -3.246 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 987 -17.993 -4.946 -7.229 1.00 0.00 H new ATOM 0 HG21 THR A 987 -18.074 -2.860 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 987 -18.180 -1.379 -7.432 1.00 0.00 H new ATOM 0 HG23 THR A 987 -16.661 -2.306 -7.483 1.00 0.00 H new ATOM 1417 N TYR A 988 -19.556 -2.104 -3.447 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.497 -2.405 -2.372 1.00 0.00 C ATOM 1419 C TYR A 988 -21.845 -2.847 -2.927 1.00 0.00 C ATOM 1420 O TYR A 988 -22.228 -2.466 -4.033 1.00 0.00 O ATOM 1421 CB TYR A 988 -20.684 -1.191 -1.460 1.00 0.00 C ATOM 1422 CG TYR A 988 -19.434 -0.791 -0.709 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.331 -0.273 -1.376 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -19.364 -0.924 0.671 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.193 0.100 -0.687 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -18.229 -0.552 1.367 1.00 0.00 C ATOM 1427 CZ TYR A 988 -17.147 -0.041 0.684 1.00 0.00 C ATOM 1428 OH TYR A 988 -16.016 0.330 1.374 1.00 0.00 O ATOM 0 H TYR A 988 -19.644 -1.164 -3.833 1.00 0.00 H new ATOM 0 HA TYR A 988 -20.078 -3.225 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.021 -0.346 -2.061 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -21.474 -1.407 -0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.364 -0.160 -2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -20.210 -1.325 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.343 0.500 -1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -18.191 -0.661 2.441 1.00 0.00 H new ATOM 0 HH TYR A 988 -15.749 1.233 1.104 1.00 0.00 H new ATOM 1438 N SER A 989 -22.561 -3.652 -2.148 1.00 0.00 N ATOM 1439 CA SER A 989 -23.870 -4.143 -2.559 1.00 0.00 C ATOM 1440 C SER A 989 -24.779 -4.338 -1.350 1.00 0.00 C ATOM 1441 O SER A 989 -24.395 -4.969 -0.365 1.00 0.00 O ATOM 1442 CB SER A 989 -23.727 -5.460 -3.323 1.00 0.00 C ATOM 1443 OG SER A 989 -22.946 -5.290 -4.494 1.00 0.00 O ATOM 0 H SER A 989 -22.257 -3.977 -1.230 1.00 0.00 H new ATOM 0 HA SER A 989 -24.322 -3.399 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 989 -23.265 -6.209 -2.680 1.00 0.00 H new ATOM 0 HB3 SER A 989 -24.714 -5.837 -3.592 1.00 0.00 H new ATOM 0 HG SER A 989 -23.237 -5.930 -5.177 1.00 0.00 H new ATOM 1449 N CYS A 990 -25.983 -3.783 -1.436 1.00 0.00 N ATOM 1450 CA CYS A 990 -26.960 -3.880 -0.357 1.00 0.00 C ATOM 1451 C CYS A 990 -27.460 -5.321 -0.216 1.00 0.00 C ATOM 1452 O CYS A 990 -26.658 -6.253 -0.151 1.00 0.00 O ATOM 1453 CB CYS A 990 -28.120 -2.919 -0.628 1.00 0.00 C ATOM 1454 SG CYS A 990 -29.120 -2.483 0.834 1.00 0.00 S ATOM 0 H CYS A 990 -26.308 -3.258 -2.248 1.00 0.00 H new ATOM 0 HA CYS A 990 -26.487 -3.599 0.584 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -27.719 -2.003 -1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -28.774 -3.366 -1.377 1.00 0.00 H new ATOM 1459 N THR A 991 -28.779 -5.507 -0.174 1.00 0.00 N ATOM 1460 CA THR A 991 -29.350 -6.845 -0.045 1.00 0.00 C ATOM 1461 C THR A 991 -30.864 -6.835 -0.239 1.00 0.00 C ATOM 1462 O THR A 991 -31.529 -5.852 0.078 1.00 0.00 O ATOM 1463 CB THR A 991 -29.023 -7.477 1.322 1.00 0.00 C ATOM 1464 OG1 THR A 991 -29.548 -8.808 1.384 1.00 0.00 O ATOM 1465 CG2 THR A 991 -29.602 -6.649 2.458 1.00 0.00 C ATOM 0 H THR A 991 -29.466 -4.755 -0.227 1.00 0.00 H new ATOM 0 HA THR A 991 -28.894 -7.446 -0.832 1.00 0.00 H new ATOM 0 HB THR A 991 -27.939 -7.506 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 991 -29.335 -9.204 2.255 1.00 0.00 H new ATOM 0 HG21 THR A 991 -29.357 -7.117 3.411 1.00 0.00 H new ATOM 0 HG22 THR A 991 -29.180 -5.644 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 991 -30.685 -6.591 2.350 1.00 0.00 H new ATOM 1473 N THR A 992 -31.379 -7.951 -0.763 1.00 0.00 N ATOM 1474 CA THR A 992 -32.810 -8.146 -1.031 1.00 0.00 C ATOM 1475 C THR A 992 -33.640 -6.865 -0.852 1.00 0.00 C ATOM 1476 O THR A 992 -33.439 -5.886 -1.572 1.00 0.00 O ATOM 1477 CB THR A 992 -33.385 -9.266 -0.139 1.00 0.00 C ATOM 1478 OG1 THR A 992 -32.518 -10.406 -0.170 1.00 0.00 O ATOM 1479 CG2 THR A 992 -34.773 -9.682 -0.610 1.00 0.00 C ATOM 0 H THR A 992 -30.807 -8.757 -1.017 1.00 0.00 H new ATOM 0 HA THR A 992 -32.884 -8.433 -2.080 1.00 0.00 H new ATOM 0 HB THR A 992 -33.460 -8.882 0.878 1.00 0.00 H new ATOM 0 HG1 THR A 992 -32.887 -11.113 0.399 1.00 0.00 H new ATOM 0 HG21 THR A 992 -35.155 -10.473 0.036 1.00 0.00 H new ATOM 0 HG22 THR A 992 -35.444 -8.824 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 992 -34.715 -10.048 -1.635 1.00 0.00 H new ATOM 1487 N GLY A 993 -34.591 -6.888 0.085 1.00 0.00 N ATOM 1488 CA GLY A 993 -35.448 -5.735 0.314 1.00 0.00 C ATOM 1489 C GLY A 993 -34.773 -4.621 1.093 1.00 0.00 C ATOM 1490 O GLY A 993 -35.339 -4.106 2.056 1.00 0.00 O ATOM 0 H GLY A 993 -34.782 -7.687 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -35.782 -5.344 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -36.339 -6.056 0.854 1.00 0.00 H new ATOM 1494 N HIS A 994 -33.571 -4.243 0.675 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.826 -3.183 1.332 1.00 0.00 C ATOM 1496 C HIS A 994 -32.182 -2.270 0.293 1.00 0.00 C ATOM 1497 O HIS A 994 -31.586 -2.740 -0.677 1.00 0.00 O ATOM 1498 CB HIS A 994 -31.738 -3.777 2.234 1.00 0.00 C ATOM 1499 CG HIS A 994 -32.249 -4.692 3.304 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -33.047 -5.787 3.046 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -32.049 -4.682 4.644 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -33.319 -6.408 4.181 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -32.725 -5.758 5.164 1.00 0.00 N ATOM 0 H HIS A 994 -33.091 -4.660 -0.122 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.519 -2.603 1.942 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -31.029 -4.325 1.614 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.188 -2.961 2.703 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -31.466 -3.962 5.200 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -33.924 -7.296 4.286 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -32.762 -6.014 6.151 1.00 0.00 H new ATOM 1512 N ARG A 995 -32.297 -0.965 0.505 1.00 0.00 N ATOM 1513 CA ARG A 995 -31.718 0.017 -0.401 1.00 0.00 C ATOM 1514 C ARG A 995 -30.340 0.437 0.093 1.00 0.00 C ATOM 1515 O ARG A 995 -30.154 0.685 1.282 1.00 0.00 O ATOM 1516 CB ARG A 995 -32.621 1.248 -0.494 1.00 0.00 C ATOM 1517 CG ARG A 995 -32.868 1.909 0.853 1.00 0.00 C ATOM 1518 CD ARG A 995 -33.649 3.203 0.712 1.00 0.00 C ATOM 1519 NE ARG A 995 -32.929 4.193 -0.083 1.00 0.00 N ATOM 1520 CZ ARG A 995 -33.383 5.419 -0.325 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -34.555 5.803 0.163 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -32.664 6.261 -1.053 1.00 0.00 N ATOM 0 H ARG A 995 -32.789 -0.561 1.302 1.00 0.00 H new ATOM 0 HA ARG A 995 -31.625 -0.436 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -32.168 1.973 -1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -33.577 0.958 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -33.415 1.223 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -31.914 2.112 1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -34.613 2.996 0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -33.854 3.612 1.701 1.00 0.00 H new ATOM 0 HE ARG A 995 -32.025 3.929 -0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -35.110 5.157 0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -34.902 6.744 -0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -31.762 5.969 -1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -33.013 7.201 -1.238 1.00 0.00 H new ATOM 1536 N LEU A 996 -29.376 0.516 -0.815 1.00 0.00 N ATOM 1537 CA LEU A 996 -28.023 0.912 -0.443 1.00 0.00 C ATOM 1538 C LEU A 996 -28.003 2.383 -0.032 1.00 0.00 C ATOM 1539 O LEU A 996 -28.555 3.236 -0.728 1.00 0.00 O ATOM 1540 CB LEU A 996 -27.057 0.658 -1.606 1.00 0.00 C ATOM 1541 CG LEU A 996 -25.572 0.781 -1.268 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -24.718 0.118 -2.339 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -25.194 2.235 -1.106 1.00 0.00 C ATOM 0 H LEU A 996 -29.503 0.313 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.698 0.312 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -27.241 -0.343 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -27.288 1.360 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 996 -25.387 0.267 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -23.664 0.218 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -24.976 -0.939 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -24.901 0.599 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -24.134 2.311 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -25.394 2.769 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -25.781 2.676 -0.301 1.00 0.00 H new ATOM 1555 N ILE A 997 -27.370 2.675 1.102 1.00 0.00 N ATOM 1556 CA ILE A 997 -27.289 4.048 1.600 1.00 0.00 C ATOM 1557 C ILE A 997 -25.940 4.684 1.277 1.00 0.00 C ATOM 1558 O ILE A 997 -24.897 4.051 1.412 1.00 0.00 O ATOM 1559 CB ILE A 997 -27.521 4.117 3.127 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -28.978 3.822 3.472 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -27.127 5.473 3.677 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -29.322 2.359 3.417 1.00 0.00 C ATOM 0 H ILE A 997 -26.907 1.983 1.692 1.00 0.00 H new ATOM 0 HA ILE A 997 -28.078 4.603 1.093 1.00 0.00 H new ATOM 0 HB ILE A 997 -26.891 3.357 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -29.190 4.200 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -29.624 4.365 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -27.301 5.494 4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -26.071 5.654 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -27.726 6.248 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -30.373 2.222 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -29.142 1.980 2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -28.701 1.812 4.127 1.00 0.00 H new ATOM 1574 N GLY A 998 -25.972 5.949 0.869 1.00 0.00 N ATOM 1575 CA GLY A 998 -24.746 6.661 0.553 1.00 0.00 C ATOM 1576 C GLY A 998 -24.269 6.445 -0.870 1.00 0.00 C ATOM 1577 O GLY A 998 -25.037 6.586 -1.822 1.00 0.00 O ATOM 0 H GLY A 998 -26.826 6.495 0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -24.902 7.727 0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -23.963 6.344 1.242 1.00 0.00 H new ATOM 1581 N HIS A 999 -22.987 6.124 -1.012 1.00 0.00 N ATOM 1582 CA HIS A 999 -22.379 5.909 -2.321 1.00 0.00 C ATOM 1583 C HIS A 999 -22.714 4.524 -2.873 1.00 0.00 C ATOM 1584 O HIS A 999 -23.875 4.118 -2.879 1.00 0.00 O ATOM 1585 CB HIS A 999 -20.864 6.090 -2.217 1.00 0.00 C ATOM 1586 CG HIS A 999 -20.465 7.400 -1.613 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -19.829 7.681 -0.452 1.00 0.00 N flip ATOM 1588 CD2 HIS A 999 -20.729 8.616 -2.208 1.00 0.00 C flip ATOM 1589 CE1 HIS A 999 -19.722 9.048 -0.366 1.00 0.00 C flip ATOM 1590 NE2 HIS A 999 -20.271 9.588 -1.438 1.00 0.00 N flip ATOM 0 H HIS A 999 -22.344 6.006 -0.229 1.00 0.00 H new ATOM 0 HA HIS A 999 -22.786 6.645 -3.014 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -20.448 5.280 -1.618 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -20.426 6.008 -3.212 1.00 0.00 H new ATOM 0 HD1 HIS A 999 -19.492 7.004 0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -21.231 8.753 -3.154 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -19.263 9.592 0.446 1.00 0.00 H new ATOM 1599 N SER A1000 -21.694 3.805 -3.346 1.00 0.00 N ATOM 1600 CA SER A1000 -21.886 2.472 -3.908 1.00 0.00 C ATOM 1601 C SER A1000 -20.546 1.831 -4.262 1.00 0.00 C ATOM 1602 O SER A1000 -20.411 0.608 -4.253 1.00 0.00 O ATOM 1603 CB SER A1000 -22.773 2.540 -5.153 1.00 0.00 C ATOM 1604 OG SER A1000 -22.189 3.357 -6.153 1.00 0.00 O ATOM 0 H SER A1000 -20.726 4.127 -3.350 1.00 0.00 H new ATOM 0 HA SER A1000 -22.377 1.857 -3.153 1.00 0.00 H new ATOM 0 HB2 SER A1000 -22.930 1.536 -5.546 1.00 0.00 H new ATOM 0 HB3 SER A1000 -23.753 2.934 -4.884 1.00 0.00 H new ATOM 0 HG SER A1000 -22.775 3.382 -6.938 1.00 0.00 H new ATOM 1610 N SER A1001 -19.564 2.668 -4.579 1.00 0.00 N ATOM 1611 CA SER A1001 -18.233 2.191 -4.946 1.00 0.00 C ATOM 1612 C SER A1001 -17.169 3.219 -4.571 1.00 0.00 C ATOM 1613 O SER A1001 -17.435 4.421 -4.555 1.00 0.00 O ATOM 1614 CB SER A1001 -18.169 1.902 -6.447 1.00 0.00 C ATOM 1615 OG SER A1001 -18.450 3.066 -7.203 1.00 0.00 O ATOM 0 H SER A1001 -19.664 3.683 -4.590 1.00 0.00 H new ATOM 0 HA SER A1001 -18.038 1.270 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A1001 -17.179 1.527 -6.706 1.00 0.00 H new ATOM 0 HB3 SER A1001 -18.883 1.119 -6.700 1.00 0.00 H new ATOM 0 HG SER A1001 -18.401 2.855 -8.159 1.00 0.00 H new ATOM 1621 N ALA A1002 -15.965 2.741 -4.264 1.00 0.00 N ATOM 1622 CA ALA A1002 -14.869 3.627 -3.883 1.00 0.00 C ATOM 1623 C ALA A1002 -13.513 3.023 -4.237 1.00 0.00 C ATOM 1624 O ALA A1002 -13.252 1.848 -3.971 1.00 0.00 O ATOM 1625 CB ALA A1002 -14.935 3.935 -2.394 1.00 0.00 C ATOM 0 H ALA A1002 -15.725 1.750 -4.272 1.00 0.00 H new ATOM 0 HA ALA A1002 -14.978 4.554 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -14.112 4.597 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -15.883 4.422 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -14.857 3.007 -1.827 1.00 0.00 H new ATOM 1631 N GLU A1003 -12.655 3.841 -4.842 1.00 0.00 N ATOM 1632 CA GLU A1003 -11.321 3.405 -5.242 1.00 0.00 C ATOM 1633 C GLU A1003 -10.287 3.782 -4.188 1.00 0.00 C ATOM 1634 O GLU A1003 -10.260 4.918 -3.717 1.00 0.00 O ATOM 1635 CB GLU A1003 -10.935 4.044 -6.579 1.00 0.00 C ATOM 1636 CG GLU A1003 -9.601 3.565 -7.124 1.00 0.00 C ATOM 1637 CD GLU A1003 -9.247 4.210 -8.450 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -9.135 5.454 -8.494 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -9.084 3.472 -9.444 1.00 0.00 O ATOM 0 H GLU A1003 -12.862 4.814 -5.067 1.00 0.00 H new ATOM 0 HA GLU A1003 -11.340 2.320 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -11.714 3.831 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -10.900 5.127 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -8.817 3.782 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -9.631 2.482 -7.247 1.00 0.00 H new ATOM 1646 N CYS A1004 -9.425 2.836 -3.836 1.00 0.00 N ATOM 1647 CA CYS A1004 -8.381 3.101 -2.854 1.00 0.00 C ATOM 1648 C CYS A1004 -7.332 4.020 -3.462 1.00 0.00 C ATOM 1649 O CYS A1004 -6.729 3.693 -4.484 1.00 0.00 O ATOM 1650 CB CYS A1004 -7.736 1.791 -2.392 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.335 2.001 -1.244 1.00 0.00 S ATOM 0 H CYS A1004 -9.427 1.888 -4.211 1.00 0.00 H new ATOM 0 HA CYS A1004 -8.825 3.588 -1.986 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.496 1.177 -1.909 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -7.392 1.241 -3.268 1.00 0.00 H new ATOM 1656 N ILE A1005 -7.125 5.177 -2.842 1.00 0.00 N ATOM 1657 CA ILE A1005 -6.155 6.134 -3.351 1.00 0.00 C ATOM 1658 C ILE A1005 -5.217 6.624 -2.256 1.00 0.00 C ATOM 1659 O ILE A1005 -5.020 5.951 -1.242 1.00 0.00 O ATOM 1660 CB ILE A1005 -6.857 7.344 -4.004 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -7.783 8.032 -2.999 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -7.633 6.901 -5.238 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -8.480 9.257 -3.552 1.00 0.00 C ATOM 0 H ILE A1005 -7.611 5.471 -1.995 1.00 0.00 H new ATOM 0 HA ILE A1005 -5.565 5.612 -4.104 1.00 0.00 H new ATOM 0 HB ILE A1005 -6.098 8.062 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -8.535 7.318 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -7.203 8.320 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -8.123 7.764 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -6.947 6.456 -5.959 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -8.385 6.166 -4.951 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -9.119 9.691 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -7.736 9.991 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -9.088 8.973 -4.411 1.00 0.00 H new ATOM 1675 N LEU A1006 -4.632 7.797 -2.470 1.00 0.00 N ATOM 1676 CA LEU A1006 -3.699 8.371 -1.510 1.00 0.00 C ATOM 1677 C LEU A1006 -3.717 9.894 -1.565 1.00 0.00 C ATOM 1678 O LEU A1006 -3.685 10.489 -2.642 1.00 0.00 O ATOM 1679 CB LEU A1006 -2.285 7.856 -1.797 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.173 8.453 -0.929 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -1.424 8.160 0.542 1.00 0.00 C ATOM 1682 CD2 LEU A1006 0.181 7.911 -1.358 1.00 0.00 C ATOM 0 H LEU A1006 -4.788 8.369 -3.300 1.00 0.00 H new ATOM 0 HA LEU A1006 -4.006 8.066 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.279 6.774 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -2.051 8.055 -2.843 1.00 0.00 H new ATOM 0 HG LEU A1006 -1.173 9.534 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -0.623 8.593 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.377 8.595 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -1.452 7.082 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A1006 0.961 8.344 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A1006 0.190 6.826 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A1006 0.364 8.173 -2.400 1.00 0.00 H new ATOM 1694 N SER A1007 -3.762 10.517 -0.392 1.00 0.00 N ATOM 1695 CA SER A1007 -3.779 11.972 -0.295 1.00 0.00 C ATOM 1696 C SER A1007 -2.356 12.517 -0.242 1.00 0.00 C ATOM 1697 O SER A1007 -2.009 13.451 -0.964 1.00 0.00 O ATOM 1698 CB SER A1007 -4.553 12.408 0.949 1.00 0.00 C ATOM 1699 OG SER A1007 -4.576 13.820 1.068 1.00 0.00 O ATOM 0 H SER A1007 -3.787 10.035 0.507 1.00 0.00 H new ATOM 0 HA SER A1007 -4.275 12.373 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A1007 -5.573 12.028 0.898 1.00 0.00 H new ATOM 0 HB3 SER A1007 -4.095 11.973 1.837 1.00 0.00 H new ATOM 0 HG SER A1007 -5.078 14.072 1.871 1.00 0.00 H new ATOM 1705 N GLY A1008 -1.540 11.921 0.620 1.00 0.00 N ATOM 1706 CA GLY A1008 -0.161 12.346 0.762 1.00 0.00 C ATOM 1707 C GLY A1008 0.500 11.742 1.984 1.00 0.00 C ATOM 1708 O GLY A1008 1.580 11.157 1.893 1.00 0.00 O ATOM 0 H GLY A1008 -1.812 11.147 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A1008 0.399 12.062 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A1008 -0.123 13.433 0.830 1.00 0.00 H new ATOM 1712 N ASN A1009 -0.157 11.882 3.131 1.00 0.00 N ATOM 1713 CA ASN A1009 0.360 11.346 4.385 1.00 0.00 C ATOM 1714 C ASN A1009 -0.156 9.933 4.625 1.00 0.00 C ATOM 1715 O ASN A1009 0.563 9.074 5.135 1.00 0.00 O ATOM 1716 CB ASN A1009 -0.049 12.242 5.553 1.00 0.00 C ATOM 1717 CG ASN A1009 0.384 13.682 5.359 1.00 0.00 C ATOM 1718 OD1 ASN A1009 1.574 13.972 5.228 1.00 0.00 O ATOM 1719 ND2 ASN A1009 -0.581 14.593 5.342 1.00 0.00 N ATOM 0 H ASN A1009 -1.052 12.364 3.218 1.00 0.00 H new ATOM 0 HA ASN A1009 1.447 11.316 4.315 1.00 0.00 H new ATOM 0 HB2 ASN A1009 -1.132 12.205 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A1009 0.388 11.855 6.474 1.00 0.00 H new ATOM 0 HD21 ASN A1009 -0.350 15.579 5.217 1.00 0.00 H new ATOM 0 HD22 ASN A1009 -1.554 14.308 5.454 1.00 0.00 H new ATOM 1726 N THR A1010 -1.417 9.707 4.270 1.00 0.00 N ATOM 1727 CA THR A1010 -2.046 8.409 4.464 1.00 0.00 C ATOM 1728 C THR A1010 -3.034 8.093 3.342 1.00 0.00 C ATOM 1729 O THR A1010 -3.698 8.985 2.815 1.00 0.00 O ATOM 1730 CB THR A1010 -2.782 8.354 5.816 1.00 0.00 C ATOM 1731 OG1 THR A1010 -1.847 8.516 6.889 1.00 0.00 O ATOM 1732 CG2 THR A1010 -3.526 7.040 5.980 1.00 0.00 C ATOM 0 H THR A1010 -2.023 10.409 3.846 1.00 0.00 H new ATOM 0 HA THR A1010 -1.251 7.663 4.452 1.00 0.00 H new ATOM 0 HB THR A1010 -3.509 9.166 5.839 1.00 0.00 H new ATOM 0 HG1 THR A1010 -2.322 8.482 7.745 1.00 0.00 H new ATOM 0 HG21 THR A1010 -4.036 7.029 6.943 1.00 0.00 H new ATOM 0 HG22 THR A1010 -4.259 6.934 5.180 1.00 0.00 H new ATOM 0 HG23 THR A1010 -2.818 6.213 5.935 1.00 0.00 H new ATOM 1740 N ALA A1011 -3.122 6.814 2.984 1.00 0.00 N ATOM 1741 CA ALA A1011 -4.024 6.369 1.928 1.00 0.00 C ATOM 1742 C ALA A1011 -5.455 6.260 2.440 1.00 0.00 C ATOM 1743 O ALA A1011 -5.684 5.953 3.611 1.00 0.00 O ATOM 1744 CB ALA A1011 -3.564 5.032 1.369 1.00 0.00 C ATOM 0 H ALA A1011 -2.577 6.066 3.413 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.003 7.112 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -4.247 4.712 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -2.560 5.136 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -3.555 4.288 2.166 1.00 0.00 H new ATOM 1750 N HIS A1012 -6.416 6.520 1.559 1.00 0.00 N ATOM 1751 CA HIS A1012 -7.826 6.457 1.931 1.00 0.00 C ATOM 1752 C HIS A1012 -8.711 6.273 0.704 1.00 0.00 C ATOM 1753 O HIS A1012 -8.385 6.744 -0.385 1.00 0.00 O ATOM 1754 CB HIS A1012 -8.234 7.724 2.686 1.00 0.00 C ATOM 1755 CG HIS A1012 -8.023 8.984 1.904 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -8.650 9.239 0.703 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -7.248 10.066 2.159 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -8.270 10.422 0.252 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -7.420 10.943 1.116 1.00 0.00 N ATOM 0 H HIS A1012 -6.246 6.775 0.586 1.00 0.00 H new ATOM 0 HA HIS A1012 -7.963 5.594 2.583 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -9.286 7.649 2.961 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -7.665 7.783 3.614 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -9.305 8.612 0.235 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -6.614 10.212 3.021 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -8.599 10.883 -0.667 1.00 0.00 H new ATOM 1768 N TRP A1013 -9.834 5.586 0.886 1.00 0.00 N ATOM 1769 CA TRP A1013 -10.765 5.346 -0.208 1.00 0.00 C ATOM 1770 C TRP A1013 -11.361 6.657 -0.708 1.00 0.00 C ATOM 1771 O TRP A1013 -11.589 7.584 0.068 1.00 0.00 O ATOM 1772 CB TRP A1013 -11.880 4.391 0.224 1.00 0.00 C ATOM 1773 CG TRP A1013 -11.372 3.050 0.658 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -11.040 2.668 1.925 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.114 1.920 -0.184 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -10.607 1.364 1.925 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -10.639 0.886 0.643 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.242 1.683 -1.554 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -10.292 -0.367 0.143 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -10.896 0.440 -2.050 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -10.426 -0.571 -1.202 1.00 0.00 C ATOM 0 H TRP A1013 -10.120 5.187 1.780 1.00 0.00 H new ATOM 0 HA TRP A1013 -10.210 4.883 -1.024 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -12.440 4.843 1.043 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -12.577 4.258 -0.603 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -11.108 3.298 2.800 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -10.310 0.838 2.747 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.605 2.457 -2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -9.930 -1.149 0.794 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -10.990 0.245 -3.108 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.164 -1.532 -1.620 1.00 0.00 H new ATOM 1792 N SER A1014 -11.601 6.723 -2.013 1.00 0.00 N ATOM 1793 CA SER A1014 -12.160 7.916 -2.636 1.00 0.00 C ATOM 1794 C SER A1014 -13.444 8.363 -1.944 1.00 0.00 C ATOM 1795 O SER A1014 -13.734 9.557 -1.877 1.00 0.00 O ATOM 1796 CB SER A1014 -12.432 7.655 -4.119 1.00 0.00 C ATOM 1797 OG SER A1014 -12.976 8.802 -4.748 1.00 0.00 O ATOM 0 H SER A1014 -11.416 5.959 -2.663 1.00 0.00 H new ATOM 0 HA SER A1014 -11.428 8.717 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A1014 -11.506 7.369 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A1014 -13.122 6.818 -4.223 1.00 0.00 H new ATOM 0 HG SER A1014 -13.139 8.609 -5.695 1.00 0.00 H new ATOM 1803 N THR A1015 -14.215 7.405 -1.438 1.00 0.00 N ATOM 1804 CA THR A1015 -15.472 7.720 -0.764 1.00 0.00 C ATOM 1805 C THR A1015 -15.745 6.766 0.394 1.00 0.00 C ATOM 1806 O THR A1015 -15.472 5.568 0.306 1.00 0.00 O ATOM 1807 CB THR A1015 -16.665 7.667 -1.740 1.00 0.00 C ATOM 1808 OG1 THR A1015 -16.807 6.344 -2.271 1.00 0.00 O ATOM 1809 CG2 THR A1015 -16.483 8.656 -2.880 1.00 0.00 C ATOM 0 H THR A1015 -13.994 6.410 -1.481 1.00 0.00 H new ATOM 0 HA THR A1015 -15.366 8.733 -0.376 1.00 0.00 H new ATOM 0 HB THR A1015 -17.565 7.937 -1.187 1.00 0.00 H new ATOM 0 HG1 THR A1015 -16.161 6.211 -2.995 1.00 0.00 H new ATOM 0 HG21 THR A1015 -17.339 8.597 -3.553 1.00 0.00 H new ATOM 0 HG22 THR A1015 -16.407 9.666 -2.477 1.00 0.00 H new ATOM 0 HG23 THR A1015 -15.573 8.415 -3.429 1.00 0.00 H new ATOM 1817 N LYS A1016 -16.290 7.312 1.478 1.00 0.00 N ATOM 1818 CA LYS A1016 -16.614 6.522 2.663 1.00 0.00 C ATOM 1819 C LYS A1016 -17.541 5.361 2.310 1.00 0.00 C ATOM 1820 O LYS A1016 -18.486 5.525 1.539 1.00 0.00 O ATOM 1821 CB LYS A1016 -17.271 7.411 3.723 1.00 0.00 C ATOM 1822 CG LYS A1016 -17.791 6.645 4.928 1.00 0.00 C ATOM 1823 CD LYS A1016 -18.459 7.570 5.932 1.00 0.00 C ATOM 1824 CE LYS A1016 -19.081 6.790 7.080 1.00 0.00 C ATOM 1825 NZ LYS A1016 -19.705 7.689 8.089 1.00 0.00 N ATOM 0 H LYS A1016 -16.517 8.303 1.560 1.00 0.00 H new ATOM 0 HA LYS A1016 -15.687 6.111 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -16.548 8.153 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -18.097 7.956 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -18.503 5.888 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -16.966 6.119 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -17.725 8.274 6.324 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -19.228 8.158 5.431 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -19.834 6.106 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -18.316 6.180 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -20.117 7.118 8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -18.982 8.325 8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -20.453 8.253 7.636 1.00 0.00 H new ATOM 1839 N PRO A1017 -17.281 4.166 2.873 1.00 0.00 N ATOM 1840 CA PRO A1017 -18.100 2.976 2.613 1.00 0.00 C ATOM 1841 C PRO A1017 -19.584 3.223 2.881 1.00 0.00 C ATOM 1842 O PRO A1017 -19.960 3.671 3.964 1.00 0.00 O ATOM 1843 CB PRO A1017 -17.548 1.941 3.596 1.00 0.00 C ATOM 1844 CG PRO A1017 -16.151 2.379 3.865 1.00 0.00 C ATOM 1845 CD PRO A1017 -16.171 3.880 3.803 1.00 0.00 C ATOM 0 HA PRO A1017 -18.045 2.665 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -18.137 1.913 4.513 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -17.573 0.938 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -15.814 2.033 4.842 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -15.463 1.967 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -16.345 4.321 4.785 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -15.226 4.280 3.436 1.00 0.00 H new ATOM 1853 N PRO A1018 -20.451 2.930 1.894 1.00 0.00 N ATOM 1854 CA PRO A1018 -21.901 3.124 2.032 1.00 0.00 C ATOM 1855 C PRO A1018 -22.519 2.180 3.059 1.00 0.00 C ATOM 1856 O PRO A1018 -21.825 1.650 3.927 1.00 0.00 O ATOM 1857 CB PRO A1018 -22.435 2.816 0.631 1.00 0.00 C ATOM 1858 CG PRO A1018 -21.405 1.940 0.010 1.00 0.00 C ATOM 1859 CD PRO A1018 -20.089 2.393 0.569 1.00 0.00 C ATOM 0 HA PRO A1018 -22.146 4.126 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -23.402 2.315 0.679 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -22.577 3.729 0.053 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -21.590 0.892 0.246 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -21.420 2.029 -1.076 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -19.380 1.569 0.649 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -19.625 3.153 -0.060 1.00 0.00 H new ATOM 1867 N ILE A1019 -23.831 1.971 2.954 1.00 0.00 N ATOM 1868 CA ILE A1019 -24.540 1.089 3.878 1.00 0.00 C ATOM 1869 C ILE A1019 -25.597 0.262 3.145 1.00 0.00 C ATOM 1870 O ILE A1019 -25.570 0.131 1.921 1.00 0.00 O ATOM 1871 CB ILE A1019 -25.243 1.881 5.004 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -24.533 3.206 5.281 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -25.295 1.047 6.279 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -25.260 4.072 6.287 1.00 0.00 C ATOM 0 H ILE A1019 -24.422 2.399 2.241 1.00 0.00 H new ATOM 0 HA ILE A1019 -23.787 0.433 4.315 1.00 0.00 H new ATOM 0 HB ILE A1019 -26.258 2.102 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -23.527 3.002 5.647 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -24.427 3.757 4.346 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -25.792 1.615 7.065 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -25.849 0.127 6.090 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -24.281 0.801 6.595 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -24.705 4.997 6.439 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -26.257 4.305 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -25.343 3.539 7.234 1.00 0.00 H new ATOM 1886 N CYS A1020 -26.533 -0.278 3.918 1.00 0.00 N ATOM 1887 CA CYS A1020 -27.624 -1.089 3.396 1.00 0.00 C ATOM 1888 C CYS A1020 -28.759 -1.093 4.417 1.00 0.00 C ATOM 1889 O CYS A1020 -28.519 -1.299 5.607 1.00 0.00 O ATOM 1890 CB CYS A1020 -27.132 -2.514 3.128 1.00 0.00 C ATOM 1891 SG CYS A1020 -28.357 -3.607 2.342 1.00 0.00 S ATOM 0 H CYS A1020 -26.555 -0.164 4.931 1.00 0.00 H new ATOM 0 HA CYS A1020 -27.985 -0.674 2.455 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -26.248 -2.465 2.492 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -26.821 -2.960 4.073 1.00 0.00 H new ATOM 1896 N GLN A1021 -29.985 -0.832 3.970 1.00 0.00 N ATOM 1897 CA GLN A1021 -31.115 -0.780 4.892 1.00 0.00 C ATOM 1898 C GLN A1021 -32.426 -1.117 4.194 1.00 0.00 C ATOM 1899 O GLN A1021 -32.700 -0.623 3.105 1.00 0.00 O ATOM 1900 CB GLN A1021 -31.208 0.621 5.499 1.00 0.00 C ATOM 1901 CG GLN A1021 -31.490 0.632 6.990 1.00 0.00 C ATOM 1902 CD GLN A1021 -31.651 2.033 7.554 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -31.500 3.044 6.703 1.00 0.00 O flip ATOM 1904 NE2 GLN A1021 -31.907 2.207 8.745 1.00 0.00 N flip ATOM 0 H GLN A1021 -30.219 -0.656 2.993 1.00 0.00 H new ATOM 0 HA GLN A1021 -30.949 -1.522 5.673 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -30.273 1.149 5.313 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -31.994 1.176 4.987 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -32.397 0.061 7.187 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -30.677 0.128 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -32.015 1.405 9.366 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -32.011 3.153 9.111 1.00 0.00 H new ATOM 1913 N ARG A1022 -33.237 -1.952 4.836 1.00 0.00 N ATOM 1914 CA ARG A1022 -34.525 -2.350 4.281 1.00 0.00 C ATOM 1915 C ARG A1022 -35.323 -1.150 3.811 1.00 0.00 C ATOM 1916 O ARG A1022 -35.422 -0.135 4.501 1.00 0.00 O ATOM 1917 CB ARG A1022 -35.338 -3.141 5.305 1.00 0.00 C ATOM 1918 CG ARG A1022 -36.758 -3.430 4.847 1.00 0.00 C ATOM 1919 CD ARG A1022 -37.519 -4.270 5.858 1.00 0.00 C ATOM 1920 NE ARG A1022 -37.609 -3.613 7.160 1.00 0.00 N ATOM 1921 CZ ARG A1022 -38.249 -4.131 8.204 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -38.858 -5.304 8.100 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -38.282 -3.473 9.355 1.00 0.00 N ATOM 0 H ARG A1022 -33.024 -2.367 5.743 1.00 0.00 H new ATOM 0 HA ARG A1022 -34.322 -2.986 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -34.831 -4.083 5.512 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -35.371 -2.584 6.241 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -37.286 -2.490 4.685 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -36.732 -3.950 3.889 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -38.523 -4.468 5.482 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -37.025 -5.235 5.972 1.00 0.00 H new ATOM 0 HE ARG A1022 -37.156 -2.706 7.274 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -38.837 -5.813 7.216 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -39.348 -5.697 8.904 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -37.816 -2.569 9.439 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -38.773 -3.871 10.156 1.00 0.00 H new ATOM 1937 N ILE A1023 -35.891 -1.290 2.626 1.00 0.00 N ATOM 1938 CA ILE A1023 -36.690 -0.241 2.029 1.00 0.00 C ATOM 1939 C ILE A1023 -38.058 -0.146 2.702 1.00 0.00 C ATOM 1940 O ILE A1023 -38.759 -1.148 2.841 1.00 0.00 O ATOM 1941 CB ILE A1023 -36.881 -0.498 0.526 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -35.524 -0.637 -0.169 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -37.685 0.626 -0.090 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -35.625 -0.963 -1.643 1.00 0.00 C ATOM 0 H ILE A1023 -35.810 -2.131 2.055 1.00 0.00 H new ATOM 0 HA ILE A1023 -36.159 0.700 2.171 1.00 0.00 H new ATOM 0 HB ILE A1023 -37.427 -1.432 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -34.968 0.293 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -34.950 -1.419 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -37.817 0.438 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -38.661 0.682 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -37.157 1.570 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -34.624 -1.046 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -36.153 -1.908 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -36.171 -0.170 -2.154 1.00 0.00 H new ATOM 1956 N PRO A1024 -38.457 1.064 3.131 1.00 0.00 N ATOM 1957 CA PRO A1024 -39.750 1.285 3.794 1.00 0.00 C ATOM 1958 C PRO A1024 -40.930 0.912 2.903 1.00 0.00 C ATOM 1959 O PRO A1024 -41.666 -0.031 3.262 1.00 0.00 O ATOM 1960 CB PRO A1024 -39.747 2.792 4.077 1.00 0.00 C ATOM 1961 CG PRO A1024 -38.310 3.170 4.073 1.00 0.00 C ATOM 1962 CD PRO A1024 -37.689 2.314 3.013 1.00 0.00 C ATOM 1963 OXT PRO A1024 -41.108 1.565 1.854 1.00 0.00 O ATOM 0 HA PRO A1024 -39.863 0.669 4.686 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -40.303 3.340 3.316 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -40.214 3.016 5.036 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -38.181 4.229 3.851 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -37.851 2.990 5.045 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -37.785 2.759 2.023 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -36.625 2.156 3.189 1.00 0.00 H new