USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 771 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 76 THR OG1 : rot 150:sc= 1.1 USER MOD Set 1.2: A 79 SER OG : rot 117:sc= 0.973 USER MOD Set 2.1: A 69 ASN : amide:sc= 1.84 K(o=3.3,f=-11!) USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.134 USER MOD Set 2.3: A 72 SER OG : rot 81:sc= 1.28 USER MOD Set 3.1: A 26 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 40 GLN : amide:sc= -2.96! C(o=-3!,f=-13!) USER MOD Set 4.1: A 15 GLN : amide:sc= -0.396 K(o=3,f=-0.9!) USER MOD Set 4.2: A 19 TYR OH : rot 108:sc= 2.1 USER MOD Set 4.3: A 43 SER OG : rot -167:sc= 1.26 USER MOD Set 5.1: A 6 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.8!) USER MOD Set 5.2: A 36 TYR OH : rot 130:sc= 0 USER MOD Single : A 9 SER OG : rot 108:sc= 1.24 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 MET CE :methyl 144:sc= -2.33! (180deg=-4.75!) USER MOD Single : A -6 GLN : amide:sc= -2.76! C(o=-2.8!,f=-13!) USER MOD Single : A -8 TYR OH : rot -84:sc= 1.25 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 16 THR OG1 : rot 129:sc= 1.25 USER MOD Single : A 23 GLN : amide:sc= -0.0412 K(o=-0.041,f=-0.75) USER MOD Single : A 24 THR OG1 : rot -7:sc= 0.889 USER MOD Single : A 29 ASN : amide:sc= -1.07! C(o=-1.1!,f=-12!) USER MOD Single : A 32 HIS :FLIP no HE2:sc= -2.84 F(o=-3.9!,f=-2.8) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 1.5 (180deg=1.29) USER MOD Single : A 44 SER OG : rot -81:sc= -0.706! USER MOD Single : A 45 GLN : amide:sc= -0.381 K(o=-0.38,f=-2.2!) USER MOD Single : A 47 GLN : amide:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 58 MET CE :methyl 169:sc= -2.54! (180deg=-3.25) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0.809 (180deg=0.592) USER MOD Single : A 61 SER OG : rot -76:sc= 0.58 USER MOD Single : A 65 SER OG : rot 180:sc= 0.134 USER MOD Single : A 73 SER OG : rot -83:sc= 0.436 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A -10 ASN : amide:sc= 0.0889 X(o=0.089,f=0) USER MOD Single : A -12 THR OG1 : rot 180:sc= 0 USER MOD Single : A -13 THR OG1 : rot 47:sc= -0.516 USER MOD Single : A -17 TYR OH : rot 180:sc= 0 USER MOD Single : A -19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -20 HIS : no HE2:sc= -0.791 K(o=-0.79,f=-2.9) USER MOD Single : A -21 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A -22 HIS : no HE2:sc= 0.092 K(o=0.092,f=-0.61) USER MOD Single : A -23 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.082) USER MOD Single : A -24 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A -25 TYR OH : rot 180:sc= 0 USER MOD Single : A -26 TYR OH : rot 180:sc= 0 USER MOD Single : A -27 SER N :NH3+ 133:sc= 0.519 (180deg=0.0556) USER MOD Single : A -27 SER OG : rot 180:sc= 0.218 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -27 9.126 -3.606 44.654 1.00 0.00 N ATOM 2 CA SER A -27 9.439 -4.305 43.371 1.00 0.00 C ATOM 3 C SER A -27 10.525 -5.365 43.604 1.00 0.00 C ATOM 4 O SER A -27 11.549 -5.094 44.204 1.00 0.00 O ATOM 5 CB SER A -27 9.947 -3.216 42.415 1.00 0.00 C ATOM 6 OG SER A -27 9.354 -1.960 42.753 1.00 0.00 O ATOM 0 H1 SER A -27 9.107 -2.579 44.494 1.00 0.00 H new ATOM 0 H2 SER A -27 8.197 -3.919 45.002 1.00 0.00 H new ATOM 0 H3 SER A -27 9.855 -3.833 45.360 1.00 0.00 H new ATOM 0 HA SER A -27 8.567 -4.817 42.963 1.00 0.00 H new ATOM 0 HB2 SER A -27 11.033 -3.144 42.475 1.00 0.00 H new ATOM 0 HB3 SER A -27 9.702 -3.479 41.386 1.00 0.00 H new ATOM 0 HG SER A -27 9.682 -1.268 42.142 1.00 0.00 H new ATOM 14 N TYR A -26 10.314 -6.566 43.128 1.00 0.00 N ATOM 15 CA TYR A -26 11.334 -7.645 43.305 1.00 0.00 C ATOM 16 C TYR A -26 11.921 -8.009 41.941 1.00 0.00 C ATOM 17 O TYR A -26 11.187 -8.153 40.985 1.00 0.00 O ATOM 18 CB TYR A -26 10.570 -8.837 43.894 1.00 0.00 C ATOM 19 CG TYR A -26 10.707 -8.841 45.399 1.00 0.00 C ATOM 20 CD1 TYR A -26 9.779 -8.154 46.186 1.00 0.00 C ATOM 21 CD2 TYR A -26 11.760 -9.536 46.003 1.00 0.00 C ATOM 22 CE1 TYR A -26 9.904 -8.159 47.581 1.00 0.00 C ATOM 23 CE2 TYR A -26 11.884 -9.541 47.396 1.00 0.00 C ATOM 24 CZ TYR A -26 10.957 -8.853 48.187 1.00 0.00 C ATOM 25 OH TYR A -26 11.084 -8.857 49.560 1.00 0.00 O ATOM 0 H TYR A -26 9.474 -6.847 42.622 1.00 0.00 H new ATOM 0 HA TYR A -26 12.157 -7.341 43.952 1.00 0.00 H new ATOM 0 HB2 TYR A -26 9.518 -8.779 43.616 1.00 0.00 H new ATOM 0 HB3 TYR A -26 10.958 -9.769 43.482 1.00 0.00 H new ATOM 0 HD1 TYR A -26 8.965 -7.619 45.719 1.00 0.00 H new ATOM 0 HD2 TYR A -26 12.476 -10.068 45.394 1.00 0.00 H new ATOM 0 HE1 TYR A -26 9.187 -7.627 48.189 1.00 0.00 H new ATOM 0 HE2 TYR A -26 12.697 -10.077 47.862 1.00 0.00 H new ATOM 0 HH TYR A -26 11.868 -9.387 49.814 1.00 0.00 H new ATOM 35 N TYR A -25 13.229 -8.153 41.854 1.00 0.00 N ATOM 36 CA TYR A -25 13.914 -8.508 40.552 1.00 0.00 C ATOM 37 C TYR A -25 13.102 -8.041 39.337 1.00 0.00 C ATOM 38 O TYR A -25 12.794 -8.812 38.443 1.00 0.00 O ATOM 39 CB TYR A -25 14.086 -10.044 40.551 1.00 0.00 C ATOM 40 CG TYR A -25 12.869 -10.739 41.124 1.00 0.00 C ATOM 41 CD1 TYR A -25 11.696 -10.852 40.365 1.00 0.00 C ATOM 42 CD2 TYR A -25 12.918 -11.282 42.413 1.00 0.00 C ATOM 43 CE1 TYR A -25 10.577 -11.497 40.895 1.00 0.00 C ATOM 44 CE2 TYR A -25 11.801 -11.930 42.941 1.00 0.00 C ATOM 45 CZ TYR A -25 10.629 -12.038 42.183 1.00 0.00 C ATOM 46 OH TYR A -25 9.528 -12.682 42.705 1.00 0.00 O ATOM 0 H TYR A -25 13.865 -8.038 42.643 1.00 0.00 H new ATOM 0 HA TYR A -25 14.878 -8.004 40.477 1.00 0.00 H new ATOM 0 HB2 TYR A -25 14.259 -10.391 39.532 1.00 0.00 H new ATOM 0 HB3 TYR A -25 14.968 -10.313 41.133 1.00 0.00 H new ATOM 0 HD1 TYR A -25 11.658 -10.439 39.368 1.00 0.00 H new ATOM 0 HD2 TYR A -25 13.821 -11.199 42.999 1.00 0.00 H new ATOM 0 HE1 TYR A -25 9.672 -11.578 40.311 1.00 0.00 H new ATOM 0 HE2 TYR A -25 11.841 -12.349 43.936 1.00 0.00 H new ATOM 0 HH TYR A -25 9.733 -12.999 43.609 1.00 0.00 H new ATOM 56 N HIS A -24 12.748 -6.779 39.298 1.00 0.00 N ATOM 57 CA HIS A -24 11.949 -6.259 38.146 1.00 0.00 C ATOM 58 C HIS A -24 12.780 -6.286 36.862 1.00 0.00 C ATOM 59 O HIS A -24 13.846 -5.691 36.779 1.00 0.00 O ATOM 60 CB HIS A -24 11.574 -4.819 38.518 1.00 0.00 C ATOM 61 CG HIS A -24 10.899 -4.148 37.347 1.00 0.00 C ATOM 62 ND1 HIS A -24 9.827 -4.724 36.681 1.00 0.00 N ATOM 63 CD2 HIS A -24 11.138 -2.956 36.710 1.00 0.00 C ATOM 64 CE1 HIS A -24 9.470 -3.886 35.689 1.00 0.00 C ATOM 65 NE2 HIS A -24 10.236 -2.794 35.662 1.00 0.00 N ATOM 0 H HIS A -24 12.978 -6.089 40.013 1.00 0.00 H new ATOM 0 HA HIS A -24 11.064 -6.868 37.962 1.00 0.00 H new ATOM 0 HB2 HIS A -24 10.909 -4.818 39.382 1.00 0.00 H new ATOM 0 HB3 HIS A -24 12.467 -4.263 38.802 1.00 0.00 H new ATOM 0 HD2 HIS A -24 11.909 -2.250 36.981 1.00 0.00 H new ATOM 0 HE1 HIS A -24 8.661 -4.075 34.999 1.00 0.00 H new ATOM 0 HE2 HIS A -24 10.174 -2.009 35.013 1.00 0.00 H new ATOM 73 N HIS A -23 12.292 -6.968 35.861 1.00 0.00 N ATOM 74 CA HIS A -23 13.021 -7.051 34.563 1.00 0.00 C ATOM 75 C HIS A -23 12.027 -6.851 33.414 1.00 0.00 C ATOM 76 O HIS A -23 11.322 -7.766 33.027 1.00 0.00 O ATOM 77 CB HIS A -23 13.614 -8.465 34.527 1.00 0.00 C ATOM 78 CG HIS A -23 15.030 -8.413 34.017 1.00 0.00 C ATOM 79 ND1 HIS A -23 15.541 -9.367 33.142 1.00 0.00 N ATOM 80 CD2 HIS A -23 16.059 -7.538 34.252 1.00 0.00 C ATOM 81 CE1 HIS A -23 16.824 -9.041 32.892 1.00 0.00 C ATOM 82 NE2 HIS A -23 17.190 -7.937 33.540 1.00 0.00 N ATOM 0 H HIS A -23 11.409 -7.477 35.888 1.00 0.00 H new ATOM 0 HA HIS A -23 13.796 -6.291 34.463 1.00 0.00 H new ATOM 0 HB2 HIS A -23 13.593 -8.903 35.525 1.00 0.00 H new ATOM 0 HB3 HIS A -23 13.010 -9.106 33.885 1.00 0.00 H new ATOM 0 HD2 HIS A -23 16.002 -6.670 34.892 1.00 0.00 H new ATOM 0 HE1 HIS A -23 17.477 -9.607 32.244 1.00 0.00 H new ATOM 0 HE2 HIS A -23 18.102 -7.481 33.520 1.00 0.00 H new ATOM 90 N HIS A -22 11.950 -5.660 32.880 1.00 0.00 N ATOM 91 CA HIS A -22 10.987 -5.402 31.764 1.00 0.00 C ATOM 92 C HIS A -22 11.292 -6.322 30.580 1.00 0.00 C ATOM 93 O HIS A -22 12.440 -6.562 30.252 1.00 0.00 O ATOM 94 CB HIS A -22 11.183 -3.932 31.373 1.00 0.00 C ATOM 95 CG HIS A -22 10.093 -3.534 30.419 1.00 0.00 C ATOM 96 ND1 HIS A -22 10.245 -3.614 29.042 1.00 0.00 N ATOM 97 CD2 HIS A -22 8.818 -3.072 30.628 1.00 0.00 C ATOM 98 CE1 HIS A -22 9.088 -3.211 28.485 1.00 0.00 C ATOM 99 NE2 HIS A -22 8.186 -2.870 29.407 1.00 0.00 N ATOM 0 H HIS A -22 12.509 -4.856 33.166 1.00 0.00 H new ATOM 0 HA HIS A -22 9.958 -5.598 32.064 1.00 0.00 H new ATOM 0 HB2 HIS A -22 11.157 -3.299 32.260 1.00 0.00 H new ATOM 0 HB3 HIS A -22 12.160 -3.792 30.910 1.00 0.00 H new ATOM 0 HD1 HIS A -22 11.080 -3.922 28.544 1.00 0.00 H new ATOM 0 HD2 HIS A -22 8.373 -2.892 31.595 1.00 0.00 H new ATOM 0 HE1 HIS A -22 8.911 -3.169 27.420 1.00 0.00 H new ATOM 107 N HIS A -21 10.279 -6.845 29.943 1.00 0.00 N ATOM 108 CA HIS A -21 10.516 -7.757 28.787 1.00 0.00 C ATOM 109 C HIS A -21 10.188 -7.049 27.470 1.00 0.00 C ATOM 110 O HIS A -21 9.128 -6.464 27.324 1.00 0.00 O ATOM 111 CB HIS A -21 9.571 -8.942 29.009 1.00 0.00 C ATOM 112 CG HIS A -21 9.845 -9.999 27.974 1.00 0.00 C ATOM 113 ND1 HIS A -21 11.050 -10.689 27.911 1.00 0.00 N ATOM 114 CD2 HIS A -21 9.079 -10.490 26.946 1.00 0.00 C ATOM 115 CE1 HIS A -21 10.969 -11.549 26.878 1.00 0.00 C ATOM 116 NE2 HIS A -21 9.791 -11.467 26.256 1.00 0.00 N ATOM 0 H HIS A -21 9.299 -6.680 30.173 1.00 0.00 H new ATOM 0 HA HIS A -21 11.557 -8.073 28.724 1.00 0.00 H new ATOM 0 HB2 HIS A -21 9.712 -9.351 30.009 1.00 0.00 H new ATOM 0 HB3 HIS A -21 8.534 -8.612 28.943 1.00 0.00 H new ATOM 0 HD2 HIS A -21 8.076 -10.167 26.709 1.00 0.00 H new ATOM 0 HE1 HIS A -21 11.761 -12.223 26.588 1.00 0.00 H new ATOM 0 HE2 HIS A -21 9.479 -12.005 25.448 1.00 0.00 H new ATOM 124 N HIS A -20 11.084 -7.110 26.512 1.00 0.00 N ATOM 125 CA HIS A -20 10.849 -6.455 25.183 1.00 0.00 C ATOM 126 C HIS A -20 10.830 -4.926 25.324 1.00 0.00 C ATOM 127 O HIS A -20 11.189 -4.382 26.355 1.00 0.00 O ATOM 128 CB HIS A -20 9.488 -6.982 24.701 1.00 0.00 C ATOM 129 CG HIS A -20 9.599 -7.512 23.296 1.00 0.00 C ATOM 130 ND1 HIS A -20 8.482 -7.714 22.504 1.00 0.00 N ATOM 131 CD2 HIS A -20 10.674 -7.895 22.525 1.00 0.00 C ATOM 132 CE1 HIS A -20 8.900 -8.198 21.319 1.00 0.00 C ATOM 133 NE2 HIS A -20 10.229 -8.329 21.280 1.00 0.00 N ATOM 0 H HIS A -20 11.979 -7.592 26.595 1.00 0.00 H new ATOM 0 HA HIS A -20 11.642 -6.686 24.472 1.00 0.00 H new ATOM 0 HB2 HIS A -20 9.139 -7.771 25.368 1.00 0.00 H new ATOM 0 HB3 HIS A -20 8.748 -6.183 24.738 1.00 0.00 H new ATOM 0 HD1 HIS A -20 7.515 -7.529 22.770 1.00 0.00 H new ATOM 0 HD2 HIS A -20 11.707 -7.863 22.839 1.00 0.00 H new ATOM 0 HE1 HIS A -20 8.242 -8.449 20.501 1.00 0.00 H new ATOM 141 N HIS A -19 10.418 -4.236 24.289 1.00 0.00 N ATOM 142 CA HIS A -19 10.368 -2.738 24.331 1.00 0.00 C ATOM 143 C HIS A -19 8.907 -2.276 24.393 1.00 0.00 C ATOM 144 O HIS A -19 8.021 -3.058 24.685 1.00 0.00 O ATOM 145 CB HIS A -19 11.016 -2.272 23.016 1.00 0.00 C ATOM 146 CG HIS A -19 12.451 -2.719 22.954 1.00 0.00 C ATOM 147 ND1 HIS A -19 13.433 -2.154 23.749 1.00 0.00 N ATOM 148 CD2 HIS A -19 13.088 -3.662 22.185 1.00 0.00 C ATOM 149 CE1 HIS A -19 14.598 -2.753 23.444 1.00 0.00 C ATOM 150 NE2 HIS A -19 14.444 -3.683 22.496 1.00 0.00 N ATOM 0 H HIS A -19 10.111 -4.649 23.408 1.00 0.00 H new ATOM 0 HA HIS A -19 10.882 -2.330 25.201 1.00 0.00 H new ATOM 0 HB2 HIS A -19 10.465 -2.677 22.167 1.00 0.00 H new ATOM 0 HB3 HIS A -19 10.963 -1.186 22.941 1.00 0.00 H new ATOM 0 HD2 HIS A -19 12.609 -4.292 21.450 1.00 0.00 H new ATOM 0 HE1 HIS A -19 15.543 -2.512 23.908 1.00 0.00 H new ATOM 0 HE2 HIS A -19 15.165 -4.279 22.089 1.00 0.00 H new ATOM 158 N ASP A -18 8.638 -1.024 24.104 1.00 0.00 N ATOM 159 CA ASP A -18 7.220 -0.542 24.133 1.00 0.00 C ATOM 160 C ASP A -18 6.442 -1.189 22.992 1.00 0.00 C ATOM 161 O ASP A -18 5.294 -1.572 23.144 1.00 0.00 O ATOM 162 CB ASP A -18 7.277 0.988 23.990 1.00 0.00 C ATOM 163 CG ASP A -18 7.765 1.380 22.600 1.00 0.00 C ATOM 164 OD1 ASP A -18 8.960 1.343 22.387 1.00 0.00 O ATOM 165 OD2 ASP A -18 6.942 1.723 21.775 1.00 0.00 O ATOM 0 H ASP A -18 9.332 -0.321 23.851 1.00 0.00 H new ATOM 0 HA ASP A -18 6.711 -0.810 25.059 1.00 0.00 H new ATOM 0 HB2 ASP A -18 6.289 1.412 24.167 1.00 0.00 H new ATOM 0 HB3 ASP A -18 7.943 1.405 24.746 1.00 0.00 H new ATOM 170 N TYR A -17 7.079 -1.365 21.873 1.00 0.00 N ATOM 171 CA TYR A -17 6.402 -2.050 20.731 1.00 0.00 C ATOM 172 C TYR A -17 6.527 -3.555 20.967 1.00 0.00 C ATOM 173 O TYR A -17 7.405 -4.216 20.447 1.00 0.00 O ATOM 174 CB TYR A -17 7.093 -1.617 19.413 1.00 0.00 C ATOM 175 CG TYR A -17 8.581 -1.350 19.581 1.00 0.00 C ATOM 176 CD1 TYR A -17 9.500 -2.408 19.560 1.00 0.00 C ATOM 177 CD2 TYR A -17 9.041 -0.034 19.730 1.00 0.00 C ATOM 178 CE1 TYR A -17 10.872 -2.150 19.688 1.00 0.00 C ATOM 179 CE2 TYR A -17 10.412 0.223 19.851 1.00 0.00 C ATOM 180 CZ TYR A -17 11.328 -0.834 19.834 1.00 0.00 C ATOM 181 OH TYR A -17 12.681 -0.576 19.948 1.00 0.00 O ATOM 0 H TYR A -17 8.038 -1.066 21.695 1.00 0.00 H new ATOM 0 HA TYR A -17 5.347 -1.785 20.657 1.00 0.00 H new ATOM 0 HB2 TYR A -17 6.952 -2.395 18.663 1.00 0.00 H new ATOM 0 HB3 TYR A -17 6.609 -0.717 19.034 1.00 0.00 H new ATOM 0 HD1 TYR A -17 9.151 -3.423 19.445 1.00 0.00 H new ATOM 0 HD2 TYR A -17 8.336 0.784 19.752 1.00 0.00 H new ATOM 0 HE1 TYR A -17 11.578 -2.967 19.674 1.00 0.00 H new ATOM 0 HE2 TYR A -17 10.763 1.239 19.958 1.00 0.00 H new ATOM 0 HH TYR A -17 12.823 0.389 20.041 1.00 0.00 H new ATOM 191 N ASP A -16 5.674 -4.088 21.804 1.00 0.00 N ATOM 192 CA ASP A -16 5.746 -5.541 22.150 1.00 0.00 C ATOM 193 C ASP A -16 5.250 -6.458 21.029 1.00 0.00 C ATOM 194 O ASP A -16 5.151 -7.658 21.209 1.00 0.00 O ATOM 195 CB ASP A -16 4.863 -5.685 23.391 1.00 0.00 C ATOM 196 CG ASP A -16 5.310 -6.896 24.200 1.00 0.00 C ATOM 197 OD1 ASP A -16 6.492 -7.006 24.464 1.00 0.00 O ATOM 198 OD2 ASP A -16 4.465 -7.689 24.552 1.00 0.00 O ATOM 0 H ASP A -16 4.924 -3.575 22.267 1.00 0.00 H new ATOM 0 HA ASP A -16 6.780 -5.844 22.316 1.00 0.00 H new ATOM 0 HB2 ASP A -16 4.927 -4.784 24.001 1.00 0.00 H new ATOM 0 HB3 ASP A -16 3.820 -5.797 23.096 1.00 0.00 H new ATOM 203 N ILE A -15 4.951 -5.930 19.884 1.00 0.00 N ATOM 204 CA ILE A -15 4.483 -6.805 18.766 1.00 0.00 C ATOM 205 C ILE A -15 5.172 -6.396 17.461 1.00 0.00 C ATOM 206 O ILE A -15 4.879 -5.353 16.908 1.00 0.00 O ATOM 207 CB ILE A -15 2.962 -6.619 18.658 1.00 0.00 C ATOM 208 CG1 ILE A -15 2.341 -6.357 20.039 1.00 0.00 C ATOM 209 CG2 ILE A -15 2.354 -7.901 18.082 1.00 0.00 C ATOM 210 CD1 ILE A -15 0.829 -6.234 19.889 1.00 0.00 C ATOM 0 H ILE A -15 5.007 -4.935 19.666 1.00 0.00 H new ATOM 0 HA ILE A -15 4.727 -7.851 18.954 1.00 0.00 H new ATOM 0 HB ILE A -15 2.757 -5.764 18.014 1.00 0.00 H new ATOM 0 HG12 ILE A -15 2.586 -7.170 20.722 1.00 0.00 H new ATOM 0 HG13 ILE A -15 2.752 -5.444 20.469 1.00 0.00 H new ATOM 0 HG21 ILE A -15 1.273 -7.786 17.999 1.00 0.00 H new ATOM 0 HG22 ILE A -15 2.776 -8.092 17.095 1.00 0.00 H new ATOM 0 HG23 ILE A -15 2.580 -8.739 18.742 1.00 0.00 H new ATOM 0 HD11 ILE A -15 0.380 -6.048 20.865 1.00 0.00 H new ATOM 0 HD12 ILE A -15 0.596 -5.407 19.219 1.00 0.00 H new ATOM 0 HD13 ILE A -15 0.428 -7.159 19.476 1.00 0.00 H new ATOM 222 N PRO A -14 6.077 -7.230 17.012 1.00 0.00 N ATOM 223 CA PRO A -14 6.818 -6.943 15.761 1.00 0.00 C ATOM 224 C PRO A -14 5.874 -7.060 14.561 1.00 0.00 C ATOM 225 O PRO A -14 5.769 -8.102 13.940 1.00 0.00 O ATOM 226 CB PRO A -14 7.912 -7.999 15.739 1.00 0.00 C ATOM 227 CG PRO A -14 7.393 -9.122 16.577 1.00 0.00 C ATOM 228 CD PRO A -14 6.470 -8.518 17.601 1.00 0.00 C ATOM 0 HA PRO A -14 7.233 -5.936 15.713 1.00 0.00 H new ATOM 0 HB2 PRO A -14 8.118 -8.330 14.721 1.00 0.00 H new ATOM 0 HB3 PRO A -14 8.846 -7.607 16.142 1.00 0.00 H new ATOM 0 HG2 PRO A -14 6.863 -9.849 15.962 1.00 0.00 H new ATOM 0 HG3 PRO A -14 8.213 -9.652 17.062 1.00 0.00 H new ATOM 0 HD2 PRO A -14 5.604 -9.155 17.782 1.00 0.00 H new ATOM 0 HD3 PRO A -14 6.972 -8.382 18.559 1.00 0.00 H new ATOM 236 N THR A -13 5.170 -6.014 14.252 1.00 0.00 N ATOM 237 CA THR A -13 4.207 -6.065 13.117 1.00 0.00 C ATOM 238 C THR A -13 4.559 -5.026 12.048 1.00 0.00 C ATOM 239 O THR A -13 4.542 -3.832 12.296 1.00 0.00 O ATOM 240 CB THR A -13 2.848 -5.752 13.747 1.00 0.00 C ATOM 241 OG1 THR A -13 2.936 -4.555 14.517 1.00 0.00 O ATOM 242 CG2 THR A -13 2.414 -6.902 14.659 1.00 0.00 C ATOM 0 H THR A -13 5.218 -5.118 14.738 1.00 0.00 H new ATOM 0 HA THR A -13 4.219 -7.032 12.615 1.00 0.00 H new ATOM 0 HB THR A -13 2.115 -5.624 12.950 1.00 0.00 H new ATOM 0 HG1 THR A -13 3.404 -3.867 14.000 1.00 0.00 H new ATOM 0 HG21 THR A -13 1.446 -6.669 15.102 1.00 0.00 H new ATOM 0 HG22 THR A -13 2.335 -7.819 14.075 1.00 0.00 H new ATOM 0 HG23 THR A -13 3.152 -7.038 15.450 1.00 0.00 H new ATOM 250 N THR A -12 4.854 -5.472 10.856 1.00 0.00 N ATOM 251 CA THR A -12 5.185 -4.525 9.756 1.00 0.00 C ATOM 252 C THR A -12 3.885 -3.992 9.145 1.00 0.00 C ATOM 253 O THR A -12 3.766 -2.822 8.831 1.00 0.00 O ATOM 254 CB THR A -12 5.962 -5.352 8.724 1.00 0.00 C ATOM 255 OG1 THR A -12 6.878 -6.224 9.388 1.00 0.00 O ATOM 256 CG2 THR A -12 6.732 -4.411 7.802 1.00 0.00 C ATOM 0 H THR A -12 4.880 -6.458 10.597 1.00 0.00 H new ATOM 0 HA THR A -12 5.768 -3.670 10.100 1.00 0.00 H new ATOM 0 HB THR A -12 5.262 -5.949 8.140 1.00 0.00 H new ATOM 0 HG1 THR A -12 7.369 -6.750 8.723 1.00 0.00 H new ATOM 0 HG21 THR A -12 7.286 -4.995 7.067 1.00 0.00 H new ATOM 0 HG22 THR A -12 6.032 -3.751 7.289 1.00 0.00 H new ATOM 0 HG23 THR A -12 7.429 -3.814 8.391 1.00 0.00 H new ATOM 264 N GLU A -11 2.910 -4.850 8.985 1.00 0.00 N ATOM 265 CA GLU A -11 1.601 -4.420 8.399 1.00 0.00 C ATOM 266 C GLU A -11 0.816 -3.546 9.383 1.00 0.00 C ATOM 267 O GLU A -11 -0.224 -3.009 9.046 1.00 0.00 O ATOM 268 CB GLU A -11 0.839 -5.720 8.099 1.00 0.00 C ATOM 269 CG GLU A -11 1.668 -6.604 7.153 1.00 0.00 C ATOM 270 CD GLU A -11 2.345 -7.714 7.950 1.00 0.00 C ATOM 271 OE1 GLU A -11 1.647 -8.600 8.406 1.00 0.00 O ATOM 272 OE2 GLU A -11 3.547 -7.651 8.103 1.00 0.00 O ATOM 0 H GLU A -11 2.963 -5.837 9.236 1.00 0.00 H new ATOM 0 HA GLU A -11 1.744 -3.818 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A -11 0.636 -6.255 9.027 1.00 0.00 H new ATOM 0 HB3 GLU A -11 -0.125 -5.491 7.645 1.00 0.00 H new ATOM 0 HG2 GLU A -11 1.025 -7.034 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A -11 2.418 -6.002 6.640 1.00 0.00 H new ATOM 279 N ASN A -10 1.312 -3.371 10.579 1.00 0.00 N ATOM 280 CA ASN A -10 0.600 -2.500 11.575 1.00 0.00 C ATOM 281 C ASN A -10 0.514 -1.068 11.043 1.00 0.00 C ATOM 282 O ASN A -10 -0.316 -0.282 11.450 1.00 0.00 O ATOM 283 CB ASN A -10 1.442 -2.562 12.858 1.00 0.00 C ATOM 284 CG ASN A -10 1.028 -1.437 13.823 1.00 0.00 C ATOM 285 OD1 ASN A -10 1.844 -0.619 14.204 1.00 0.00 O ATOM 286 ND2 ASN A -10 -0.206 -1.365 14.241 1.00 0.00 N ATOM 0 H ASN A -10 2.179 -3.791 10.914 1.00 0.00 H new ATOM 0 HA ASN A -10 -0.421 -2.834 11.760 1.00 0.00 H new ATOM 0 HB2 ASN A -10 1.311 -3.531 13.340 1.00 0.00 H new ATOM 0 HB3 ASN A -10 2.500 -2.468 12.612 1.00 0.00 H new ATOM 0 HD21 ASN A -10 -0.484 -0.625 14.885 1.00 0.00 H new ATOM 0 HD22 ASN A -10 -0.893 -2.049 13.924 1.00 0.00 H new ATOM 293 N LEU A -9 1.359 -0.747 10.115 1.00 0.00 N ATOM 294 CA LEU A -9 1.354 0.615 9.510 1.00 0.00 C ATOM 295 C LEU A -9 0.150 0.765 8.559 1.00 0.00 C ATOM 296 O LEU A -9 -0.163 1.854 8.112 1.00 0.00 O ATOM 297 CB LEU A -9 2.671 0.693 8.717 1.00 0.00 C ATOM 298 CG LEU A -9 3.816 1.251 9.584 1.00 0.00 C ATOM 299 CD1 LEU A -9 3.428 2.613 10.157 1.00 0.00 C ATOM 300 CD2 LEU A -9 4.126 0.291 10.740 1.00 0.00 C ATOM 0 H LEU A -9 2.067 -1.378 9.740 1.00 0.00 H new ATOM 0 HA LEU A -9 1.274 1.404 10.258 1.00 0.00 H new ATOM 0 HB2 LEU A -9 2.938 -0.299 8.353 1.00 0.00 H new ATOM 0 HB3 LEU A -9 2.533 1.327 7.841 1.00 0.00 H new ATOM 0 HG LEU A -9 4.700 1.358 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A -9 4.245 2.997 10.768 1.00 0.00 H new ATOM 0 HD12 LEU A -9 3.228 3.307 9.341 1.00 0.00 H new ATOM 0 HD13 LEU A -9 2.534 2.508 10.772 1.00 0.00 H new ATOM 0 HD21 LEU A -9 4.937 0.698 11.344 1.00 0.00 H new ATOM 0 HD22 LEU A -9 3.238 0.169 11.360 1.00 0.00 H new ATOM 0 HD23 LEU A -9 4.424 -0.678 10.339 1.00 0.00 H new ATOM 312 N TYR A -8 -0.514 -0.326 8.236 1.00 0.00 N ATOM 313 CA TYR A -8 -1.684 -0.260 7.305 1.00 0.00 C ATOM 314 C TYR A -8 -3.003 -0.094 8.066 1.00 0.00 C ATOM 315 O TYR A -8 -4.067 -0.158 7.480 1.00 0.00 O ATOM 316 CB TYR A -8 -1.679 -1.573 6.503 1.00 0.00 C ATOM 317 CG TYR A -8 -0.301 -1.859 5.931 1.00 0.00 C ATOM 318 CD1 TYR A -8 0.608 -0.816 5.699 1.00 0.00 C ATOM 319 CD2 TYR A -8 0.066 -3.178 5.643 1.00 0.00 C ATOM 320 CE1 TYR A -8 1.881 -1.096 5.192 1.00 0.00 C ATOM 321 CE2 TYR A -8 1.335 -3.455 5.130 1.00 0.00 C ATOM 322 CZ TYR A -8 2.244 -2.415 4.905 1.00 0.00 C ATOM 323 OH TYR A -8 3.499 -2.690 4.414 1.00 0.00 O ATOM 0 H TYR A -8 -0.292 -1.260 8.580 1.00 0.00 H new ATOM 0 HA TYR A -8 -1.600 0.606 6.649 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -1.987 -2.397 7.146 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -2.407 -1.511 5.694 1.00 0.00 H new ATOM 0 HD1 TYR A -8 0.325 0.204 5.912 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -0.633 -3.983 5.818 1.00 0.00 H new ATOM 0 HE1 TYR A -8 2.583 -0.293 5.022 1.00 0.00 H new ATOM 0 HE2 TYR A -8 1.615 -4.474 4.906 1.00 0.00 H new ATOM 0 HH TYR A -8 3.504 -2.566 3.442 1.00 0.00 H new ATOM 333 N PHE A -7 -2.949 0.098 9.355 1.00 0.00 N ATOM 334 CA PHE A -7 -4.212 0.266 10.150 1.00 0.00 C ATOM 335 C PHE A -7 -4.960 1.498 9.654 1.00 0.00 C ATOM 336 O PHE A -7 -4.706 2.613 10.060 1.00 0.00 O ATOM 337 CB PHE A -7 -3.770 0.466 11.593 1.00 0.00 C ATOM 338 CG PHE A -7 -3.535 -0.870 12.280 1.00 0.00 C ATOM 339 CD1 PHE A -7 -2.982 -1.950 11.573 1.00 0.00 C ATOM 340 CD2 PHE A -7 -3.877 -1.029 13.631 1.00 0.00 C ATOM 341 CE1 PHE A -7 -2.774 -3.179 12.214 1.00 0.00 C ATOM 342 CE2 PHE A -7 -3.667 -2.260 14.272 1.00 0.00 C ATOM 343 CZ PHE A -7 -3.119 -3.333 13.565 1.00 0.00 C ATOM 0 H PHE A -7 -2.087 0.147 9.898 1.00 0.00 H new ATOM 0 HA PHE A -7 -4.876 -0.593 10.053 1.00 0.00 H new ATOM 0 HB2 PHE A -7 -2.855 1.058 11.618 1.00 0.00 H new ATOM 0 HB3 PHE A -7 -4.529 1.029 12.135 1.00 0.00 H new ATOM 0 HD1 PHE A -7 -2.716 -1.833 10.533 1.00 0.00 H new ATOM 0 HD2 PHE A -7 -4.303 -0.202 14.180 1.00 0.00 H new ATOM 0 HE1 PHE A -7 -2.348 -4.008 11.668 1.00 0.00 H new ATOM 0 HE2 PHE A -7 -3.929 -2.378 15.313 1.00 0.00 H new ATOM 0 HZ PHE A -7 -2.961 -4.281 14.058 1.00 0.00 H new ATOM 353 N GLN A -6 -5.877 1.282 8.775 1.00 0.00 N ATOM 354 CA GLN A -6 -6.676 2.405 8.203 1.00 0.00 C ATOM 355 C GLN A -6 -8.101 2.382 8.755 1.00 0.00 C ATOM 356 O GLN A -6 -8.999 1.807 8.157 1.00 0.00 O ATOM 357 CB GLN A -6 -6.696 2.156 6.693 1.00 0.00 C ATOM 358 CG GLN A -6 -5.266 2.167 6.145 1.00 0.00 C ATOM 359 CD GLN A -6 -5.185 1.218 4.952 1.00 0.00 C ATOM 360 OE1 GLN A -6 -4.843 1.625 3.863 1.00 0.00 O ATOM 361 NE2 GLN A -6 -5.479 -0.040 5.114 1.00 0.00 N ATOM 0 H GLN A -6 -6.120 0.359 8.414 1.00 0.00 H new ATOM 0 HA GLN A -6 -6.248 3.375 8.456 1.00 0.00 H new ATOM 0 HB2 GLN A -6 -7.169 1.198 6.480 1.00 0.00 H new ATOM 0 HB3 GLN A -6 -7.291 2.923 6.197 1.00 0.00 H new ATOM 0 HG2 GLN A -6 -4.986 3.176 5.843 1.00 0.00 H new ATOM 0 HG3 GLN A -6 -4.563 1.859 6.919 1.00 0.00 H new ATOM 0 HE21 GLN A -6 -5.767 -0.383 6.031 1.00 0.00 H new ATOM 0 HE22 GLN A -6 -5.421 -0.683 4.324 1.00 0.00 H new ATOM 370 N GLY A -5 -8.322 3.004 9.879 1.00 0.00 N ATOM 371 CA GLY A -5 -9.692 3.030 10.449 1.00 0.00 C ATOM 372 C GLY A -5 -10.485 4.124 9.737 1.00 0.00 C ATOM 373 O GLY A -5 -10.501 4.202 8.521 1.00 0.00 O ATOM 0 H GLY A -5 -7.613 3.494 10.425 1.00 0.00 H new ATOM 0 HA2 GLY A -5 -10.177 2.063 10.318 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -9.654 3.225 11.521 1.00 0.00 H new ATOM 377 N ALA A -4 -11.136 4.968 10.482 1.00 0.00 N ATOM 378 CA ALA A -4 -11.936 6.069 9.859 1.00 0.00 C ATOM 379 C ALA A -4 -11.026 7.232 9.460 1.00 0.00 C ATOM 380 O ALA A -4 -10.377 7.836 10.294 1.00 0.00 O ATOM 381 CB ALA A -4 -12.935 6.509 10.932 1.00 0.00 C ATOM 0 H ALA A -4 -11.152 4.947 11.502 1.00 0.00 H new ATOM 0 HA ALA A -4 -12.441 5.738 8.952 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -13.556 7.316 10.542 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -13.568 5.665 11.208 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -12.394 6.860 11.811 1.00 0.00 H new ATOM 387 N MET A -3 -10.981 7.558 8.200 1.00 0.00 N ATOM 388 CA MET A -3 -10.124 8.697 7.754 1.00 0.00 C ATOM 389 C MET A -3 -10.994 9.900 7.350 1.00 0.00 C ATOM 390 O MET A -3 -12.212 9.824 7.340 1.00 0.00 O ATOM 391 CB MET A -3 -9.260 8.175 6.590 1.00 0.00 C ATOM 392 CG MET A -3 -10.114 7.554 5.473 1.00 0.00 C ATOM 393 SD MET A -3 -9.099 6.410 4.500 1.00 0.00 S ATOM 394 CE MET A -3 -8.477 5.392 5.858 1.00 0.00 C ATOM 0 H MET A -3 -11.499 7.087 7.458 1.00 0.00 H new ATOM 0 HA MET A -3 -9.479 9.054 8.557 1.00 0.00 H new ATOM 0 HB2 MET A -3 -8.669 8.995 6.181 1.00 0.00 H new ATOM 0 HB3 MET A -3 -8.557 7.431 6.965 1.00 0.00 H new ATOM 0 HG2 MET A -3 -10.965 7.026 5.903 1.00 0.00 H new ATOM 0 HG3 MET A -3 -10.516 8.337 4.830 1.00 0.00 H new ATOM 0 HE1 MET A -3 -8.397 4.356 5.529 1.00 0.00 H new ATOM 0 HE2 MET A -3 -7.495 5.753 6.163 1.00 0.00 H new ATOM 0 HE3 MET A -3 -9.164 5.453 6.702 1.00 0.00 H new ATOM 404 N GLY A -2 -10.381 11.018 7.050 1.00 0.00 N ATOM 405 CA GLY A -2 -11.150 12.245 6.685 1.00 0.00 C ATOM 406 C GLY A -2 -11.816 12.103 5.314 1.00 0.00 C ATOM 407 O GLY A -2 -11.483 12.816 4.389 1.00 0.00 O ATOM 0 H GLY A -2 -9.367 11.133 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -11.910 12.438 7.442 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -10.482 13.106 6.678 1.00 0.00 H new ATOM 411 N SER A -1 -12.773 11.213 5.199 1.00 0.00 N ATOM 412 CA SER A -1 -13.525 11.010 3.912 1.00 0.00 C ATOM 413 C SER A -1 -12.663 11.312 2.669 1.00 0.00 C ATOM 414 O SER A -1 -12.877 12.294 1.981 1.00 0.00 O ATOM 415 CB SER A -1 -14.695 11.993 4.004 1.00 0.00 C ATOM 416 OG SER A -1 -15.455 11.730 5.186 1.00 0.00 O ATOM 0 H SER A -1 -13.073 10.603 5.959 1.00 0.00 H new ATOM 0 HA SER A -1 -13.839 9.973 3.795 1.00 0.00 H new ATOM 0 HB2 SER A -1 -14.322 13.017 4.021 1.00 0.00 H new ATOM 0 HB3 SER A -1 -15.331 11.900 3.123 1.00 0.00 H new ATOM 0 HG SER A -1 -16.202 12.362 5.242 1.00 0.00 H new ATOM 422 N GLY A 1 -11.709 10.475 2.360 1.00 0.00 N ATOM 423 CA GLY A 1 -10.860 10.721 1.154 1.00 0.00 C ATOM 424 C GLY A 1 -11.240 9.734 0.044 1.00 0.00 C ATOM 425 O GLY A 1 -11.996 8.807 0.273 1.00 0.00 O ATOM 0 H GLY A 1 -11.480 9.633 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.995 11.745 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.807 10.608 1.410 1.00 0.00 H new ATOM 429 N PRO A 2 -10.707 9.970 -1.130 1.00 0.00 N ATOM 430 CA PRO A 2 -11.004 9.093 -2.298 1.00 0.00 C ATOM 431 C PRO A 2 -10.369 7.701 -2.148 1.00 0.00 C ATOM 432 O PRO A 2 -10.894 6.718 -2.640 1.00 0.00 O ATOM 433 CB PRO A 2 -10.390 9.850 -3.476 1.00 0.00 C ATOM 434 CG PRO A 2 -9.322 10.702 -2.872 1.00 0.00 C ATOM 435 CD PRO A 2 -9.784 11.059 -1.485 1.00 0.00 C ATOM 0 HA PRO A 2 -12.071 8.906 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.977 9.163 -4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.137 10.457 -3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.373 10.166 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.160 11.600 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.948 11.118 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.283 12.028 -1.467 1.00 0.00 H new ATOM 443 N CYS A 3 -9.246 7.600 -1.480 1.00 0.00 N ATOM 444 CA CYS A 3 -8.591 6.264 -1.319 1.00 0.00 C ATOM 445 C CYS A 3 -9.464 5.336 -0.476 1.00 0.00 C ATOM 446 O CYS A 3 -9.625 4.179 -0.808 1.00 0.00 O ATOM 447 CB CYS A 3 -7.254 6.525 -0.627 1.00 0.00 C ATOM 448 SG CYS A 3 -6.353 4.969 -0.432 1.00 0.00 S ATOM 0 H CYS A 3 -8.757 8.380 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.447 5.774 -2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.662 7.228 -1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.422 6.984 0.347 1.00 0.00 H new ATOM 453 N ARG A 4 -10.036 5.814 0.608 1.00 0.00 N ATOM 454 CA ARG A 4 -10.894 4.908 1.437 1.00 0.00 C ATOM 455 C ARG A 4 -11.976 4.264 0.559 1.00 0.00 C ATOM 456 O ARG A 4 -12.243 3.080 0.663 1.00 0.00 O ATOM 457 CB ARG A 4 -11.530 5.807 2.503 1.00 0.00 C ATOM 458 CG ARG A 4 -12.123 4.940 3.618 1.00 0.00 C ATOM 459 CD ARG A 4 -13.562 4.547 3.259 1.00 0.00 C ATOM 460 NE ARG A 4 -13.919 3.455 4.210 1.00 0.00 N ATOM 461 CZ ARG A 4 -14.371 2.317 3.756 1.00 0.00 C ATOM 462 NH1 ARG A 4 -15.568 2.262 3.233 1.00 0.00 N ATOM 463 NH2 ARG A 4 -13.633 1.241 3.832 1.00 0.00 N ATOM 0 H ARG A 4 -9.948 6.772 0.948 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.320 4.098 1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.783 6.485 2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.309 6.424 2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.516 4.046 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.110 5.485 4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -14.239 5.395 3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.631 4.207 2.226 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.810 3.597 5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -16.141 3.104 3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.928 1.377 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -12.702 1.289 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.988 0.353 3.477 1.00 0.00 H new ATOM 477 N ARG A 5 -12.585 5.024 -0.311 1.00 0.00 N ATOM 478 CA ARG A 5 -13.635 4.445 -1.200 1.00 0.00 C ATOM 479 C ARG A 5 -12.992 3.454 -2.177 1.00 0.00 C ATOM 480 O ARG A 5 -13.507 2.372 -2.406 1.00 0.00 O ATOM 481 CB ARG A 5 -14.238 5.637 -1.949 1.00 0.00 C ATOM 482 CG ARG A 5 -14.716 6.692 -0.943 1.00 0.00 C ATOM 483 CD ARG A 5 -15.716 7.633 -1.623 1.00 0.00 C ATOM 484 NE ARG A 5 -16.848 6.765 -2.054 1.00 0.00 N ATOM 485 CZ ARG A 5 -17.412 6.977 -3.215 1.00 0.00 C ATOM 486 NH1 ARG A 5 -18.334 7.896 -3.330 1.00 0.00 N ATOM 487 NH2 ARG A 5 -17.044 6.276 -4.253 1.00 0.00 N ATOM 0 H ARG A 5 -12.402 6.018 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.399 3.901 -0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.496 6.070 -2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -15.072 5.306 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -15.183 6.207 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.866 7.260 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -16.055 8.408 -0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.262 8.139 -2.475 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.180 6.013 -1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -18.611 8.445 -2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.776 8.064 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.319 5.565 -4.157 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.482 6.439 -5.160 1.00 0.00 H new ATOM 501 N HIS A 6 -11.861 3.808 -2.737 1.00 0.00 N ATOM 502 CA HIS A 6 -11.167 2.883 -3.680 1.00 0.00 C ATOM 503 C HIS A 6 -10.700 1.644 -2.916 1.00 0.00 C ATOM 504 O HIS A 6 -10.885 0.525 -3.359 1.00 0.00 O ATOM 505 CB HIS A 6 -9.963 3.666 -4.218 1.00 0.00 C ATOM 506 CG HIS A 6 -10.398 4.554 -5.350 1.00 0.00 C ATOM 507 ND1 HIS A 6 -10.952 5.806 -5.138 1.00 0.00 N ATOM 508 CD2 HIS A 6 -10.362 4.385 -6.711 1.00 0.00 C ATOM 509 CE1 HIS A 6 -11.226 6.336 -6.344 1.00 0.00 C ATOM 510 NE2 HIS A 6 -10.886 5.512 -7.337 1.00 0.00 N ATOM 0 H HIS A 6 -11.390 4.699 -2.580 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.816 2.551 -4.490 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.522 4.266 -3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.192 2.976 -4.561 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -11.121 6.246 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.984 3.510 -7.219 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.668 7.311 -6.491 1.00 0.00 H new ATOM 518 N LEU A 7 -10.113 1.834 -1.758 1.00 0.00 N ATOM 519 CA LEU A 7 -9.643 0.674 -0.951 1.00 0.00 C ATOM 520 C LEU A 7 -10.820 -0.258 -0.655 1.00 0.00 C ATOM 521 O LEU A 7 -10.756 -1.445 -0.903 1.00 0.00 O ATOM 522 CB LEU A 7 -9.105 1.289 0.351 1.00 0.00 C ATOM 523 CG LEU A 7 -7.843 0.549 0.796 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.347 1.137 2.120 1.00 0.00 C ATOM 525 CD2 LEU A 7 -8.155 -0.937 0.986 1.00 0.00 C ATOM 0 H LEU A 7 -9.941 2.748 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.884 0.085 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.883 2.345 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.864 1.232 1.131 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.072 0.662 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.447 0.610 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.120 2.195 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.120 1.026 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.253 -1.461 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.928 -1.052 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.507 -1.358 0.044 1.00 0.00 H new ATOM 537 N ASP A 8 -11.895 0.282 -0.141 1.00 0.00 N ATOM 538 CA ASP A 8 -13.091 -0.559 0.173 1.00 0.00 C ATOM 539 C ASP A 8 -13.546 -1.319 -1.079 1.00 0.00 C ATOM 540 O ASP A 8 -13.798 -2.505 -1.046 1.00 0.00 O ATOM 541 CB ASP A 8 -14.164 0.449 0.600 1.00 0.00 C ATOM 542 CG ASP A 8 -15.395 -0.282 1.120 1.00 0.00 C ATOM 543 OD1 ASP A 8 -16.240 -0.626 0.312 1.00 0.00 O ATOM 544 OD2 ASP A 8 -15.489 -0.461 2.323 1.00 0.00 O ATOM 0 H ASP A 8 -11.997 1.273 0.076 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.888 -1.304 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.768 1.106 1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.437 1.081 -0.245 1.00 0.00 H new ATOM 549 N SER A 9 -13.645 -0.633 -2.180 1.00 0.00 N ATOM 550 CA SER A 9 -14.084 -1.280 -3.451 1.00 0.00 C ATOM 551 C SER A 9 -13.028 -2.273 -3.954 1.00 0.00 C ATOM 552 O SER A 9 -13.341 -3.399 -4.302 1.00 0.00 O ATOM 553 CB SER A 9 -14.259 -0.124 -4.439 1.00 0.00 C ATOM 554 OG SER A 9 -15.052 0.901 -3.837 1.00 0.00 O ATOM 0 H SER A 9 -13.438 0.363 -2.257 1.00 0.00 H new ATOM 0 HA SER A 9 -15.002 -1.853 -3.322 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.286 0.275 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.738 -0.480 -5.351 1.00 0.00 H new ATOM 0 HG SER A 9 -14.483 1.667 -3.616 1.00 0.00 H new ATOM 560 N VAL A 10 -11.786 -1.864 -4.003 1.00 0.00 N ATOM 561 CA VAL A 10 -10.722 -2.785 -4.498 1.00 0.00 C ATOM 562 C VAL A 10 -10.526 -3.941 -3.519 1.00 0.00 C ATOM 563 O VAL A 10 -10.490 -5.089 -3.907 1.00 0.00 O ATOM 564 CB VAL A 10 -9.443 -1.930 -4.575 1.00 0.00 C ATOM 565 CG1 VAL A 10 -8.245 -2.815 -4.932 1.00 0.00 C ATOM 566 CG2 VAL A 10 -9.602 -0.848 -5.645 1.00 0.00 C ATOM 0 H VAL A 10 -11.465 -0.937 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.979 -3.220 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.276 -1.462 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.344 -2.204 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.119 -3.582 -4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.418 -3.290 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.693 -0.248 -5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.779 -1.317 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.447 -0.208 -5.392 1.00 0.00 H new ATOM 576 N LEU A 11 -10.396 -3.656 -2.255 1.00 0.00 N ATOM 577 CA LEU A 11 -10.177 -4.759 -1.283 1.00 0.00 C ATOM 578 C LEU A 11 -11.412 -5.653 -1.178 1.00 0.00 C ATOM 579 O LEU A 11 -11.283 -6.849 -1.024 1.00 0.00 O ATOM 580 CB LEU A 11 -9.818 -4.091 0.063 1.00 0.00 C ATOM 581 CG LEU A 11 -11.034 -4.027 1.005 1.00 0.00 C ATOM 582 CD1 LEU A 11 -11.159 -5.342 1.784 1.00 0.00 C ATOM 583 CD2 LEU A 11 -10.847 -2.875 1.996 1.00 0.00 C ATOM 0 H LEU A 11 -10.431 -2.718 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.369 -5.417 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.014 -4.648 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.444 -3.083 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.936 -3.868 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.021 -5.291 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.289 -6.168 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.256 -5.503 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.707 -2.827 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.942 -3.041 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.759 -1.936 1.450 1.00 0.00 H new ATOM 595 N GLN A 12 -12.604 -5.118 -1.247 1.00 0.00 N ATOM 596 CA GLN A 12 -13.774 -6.030 -1.123 1.00 0.00 C ATOM 597 C GLN A 12 -13.848 -6.974 -2.330 1.00 0.00 C ATOM 598 O GLN A 12 -13.951 -8.175 -2.167 1.00 0.00 O ATOM 599 CB GLN A 12 -15.007 -5.127 -1.081 1.00 0.00 C ATOM 600 CG GLN A 12 -15.163 -4.521 0.319 1.00 0.00 C ATOM 601 CD GLN A 12 -16.320 -5.204 1.052 1.00 0.00 C ATOM 602 OE1 GLN A 12 -17.472 -5.012 0.704 1.00 0.00 O ATOM 603 NE2 GLN A 12 -16.067 -6.004 2.051 1.00 0.00 N ATOM 0 H GLN A 12 -12.812 -4.128 -1.379 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.701 -6.652 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.912 -4.333 -1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.897 -5.700 -1.340 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.239 -4.644 0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.350 -3.450 0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.103 -6.166 2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.833 -6.468 2.540 1.00 0.00 H new ATOM 612 N GLN A 13 -13.790 -6.461 -3.537 1.00 0.00 N ATOM 613 CA GLN A 13 -13.853 -7.373 -4.729 1.00 0.00 C ATOM 614 C GLN A 13 -12.514 -8.050 -5.030 1.00 0.00 C ATOM 615 O GLN A 13 -12.440 -9.252 -5.192 1.00 0.00 O ATOM 616 CB GLN A 13 -14.225 -6.486 -5.912 1.00 0.00 C ATOM 617 CG GLN A 13 -15.384 -7.112 -6.694 1.00 0.00 C ATOM 618 CD GLN A 13 -15.152 -6.917 -8.193 1.00 0.00 C ATOM 619 OE1 GLN A 13 -14.720 -5.864 -8.619 1.00 0.00 O ATOM 620 NE2 GLN A 13 -15.411 -7.890 -9.018 1.00 0.00 N ATOM 0 H GLN A 13 -13.703 -5.467 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.572 -8.170 -4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.508 -5.494 -5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -13.362 -6.357 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.461 -8.174 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.327 -6.652 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.774 -8.775 -8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.251 -7.767 -10.018 1.00 0.00 H new ATOM 629 N LEU A 14 -11.464 -7.273 -5.162 1.00 0.00 N ATOM 630 CA LEU A 14 -10.142 -7.868 -5.526 1.00 0.00 C ATOM 631 C LEU A 14 -9.554 -8.677 -4.392 1.00 0.00 C ATOM 632 O LEU A 14 -9.146 -9.800 -4.583 1.00 0.00 O ATOM 633 CB LEU A 14 -9.227 -6.691 -5.874 1.00 0.00 C ATOM 634 CG LEU A 14 -9.675 -6.073 -7.203 1.00 0.00 C ATOM 635 CD1 LEU A 14 -8.821 -4.850 -7.520 1.00 0.00 C ATOM 636 CD2 LEU A 14 -9.513 -7.099 -8.325 1.00 0.00 C ATOM 0 H LEU A 14 -11.467 -6.261 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.254 -8.558 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.262 -5.943 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.193 -7.029 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.721 -5.776 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.145 -4.416 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.932 -4.113 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.775 -5.147 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.832 -6.659 -9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.467 -7.396 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.125 -7.975 -8.108 1.00 0.00 H new ATOM 648 N GLN A 15 -9.509 -8.157 -3.205 1.00 0.00 N ATOM 649 CA GLN A 15 -8.925 -8.977 -2.113 1.00 0.00 C ATOM 650 C GLN A 15 -9.741 -10.242 -1.936 1.00 0.00 C ATOM 651 O GLN A 15 -9.253 -11.233 -1.428 1.00 0.00 O ATOM 652 CB GLN A 15 -8.926 -8.117 -0.844 1.00 0.00 C ATOM 653 CG GLN A 15 -7.686 -8.448 -0.006 1.00 0.00 C ATOM 654 CD GLN A 15 -7.290 -7.238 0.841 1.00 0.00 C ATOM 655 OE1 GLN A 15 -6.431 -6.467 0.453 1.00 0.00 O ATOM 656 NE2 GLN A 15 -7.875 -7.034 1.989 1.00 0.00 N ATOM 0 H GLN A 15 -9.840 -7.228 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.904 -9.282 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.929 -7.059 -1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.831 -8.304 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.890 -9.303 0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.860 -8.731 -0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.595 -7.678 2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.613 -6.230 2.559 1.00 0.00 H new ATOM 665 N THR A 16 -10.965 -10.236 -2.370 1.00 0.00 N ATOM 666 CA THR A 16 -11.772 -11.451 -2.233 1.00 0.00 C ATOM 667 C THR A 16 -11.467 -12.427 -3.371 1.00 0.00 C ATOM 668 O THR A 16 -11.225 -13.598 -3.128 1.00 0.00 O ATOM 669 CB THR A 16 -13.221 -10.960 -2.315 1.00 0.00 C ATOM 670 OG1 THR A 16 -13.635 -10.463 -1.048 1.00 0.00 O ATOM 671 CG2 THR A 16 -14.130 -12.106 -2.727 1.00 0.00 C ATOM 0 H THR A 16 -11.431 -9.443 -2.810 1.00 0.00 H new ATOM 0 HA THR A 16 -11.568 -11.984 -1.305 1.00 0.00 H new ATOM 0 HB THR A 16 -13.283 -10.162 -3.055 1.00 0.00 H new ATOM 0 HG1 THR A 16 -14.018 -9.568 -1.157 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.159 -11.752 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.821 -12.483 -3.702 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.062 -12.907 -1.991 1.00 0.00 H new ATOM 679 N GLU A 17 -11.489 -11.988 -4.613 1.00 0.00 N ATOM 680 CA GLU A 17 -11.214 -12.983 -5.708 1.00 0.00 C ATOM 681 C GLU A 17 -9.797 -12.889 -6.275 1.00 0.00 C ATOM 682 O GLU A 17 -9.470 -13.564 -7.234 1.00 0.00 O ATOM 683 CB GLU A 17 -12.238 -12.663 -6.805 1.00 0.00 C ATOM 684 CG GLU A 17 -13.657 -12.639 -6.215 1.00 0.00 C ATOM 685 CD GLU A 17 -14.447 -13.829 -6.742 1.00 0.00 C ATOM 686 OE1 GLU A 17 -14.927 -13.750 -7.857 1.00 0.00 O ATOM 687 OE2 GLU A 17 -14.565 -14.804 -6.026 1.00 0.00 O ATOM 0 H GLU A 17 -11.676 -11.030 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.297 -13.997 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.008 -11.698 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.178 -13.409 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.610 -12.673 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.158 -11.709 -6.483 1.00 0.00 H new ATOM 694 N VAL A 18 -8.956 -12.089 -5.712 1.00 0.00 N ATOM 695 CA VAL A 18 -7.556 -11.990 -6.246 1.00 0.00 C ATOM 696 C VAL A 18 -6.536 -12.738 -5.394 1.00 0.00 C ATOM 697 O VAL A 18 -5.742 -13.533 -5.863 1.00 0.00 O ATOM 698 CB VAL A 18 -7.221 -10.499 -6.304 1.00 0.00 C ATOM 699 CG1 VAL A 18 -5.789 -10.321 -6.796 1.00 0.00 C ATOM 700 CG2 VAL A 18 -8.174 -9.792 -7.275 1.00 0.00 C ATOM 0 H VAL A 18 -9.161 -11.495 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.506 -12.459 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.328 -10.068 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.548 -9.259 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.104 -10.822 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.689 -10.755 -7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.932 -8.730 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.067 -10.225 -8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.201 -9.918 -6.933 1.00 0.00 H new ATOM 710 N TYR A 19 -6.508 -12.368 -4.156 1.00 0.00 N ATOM 711 CA TYR A 19 -5.494 -12.886 -3.184 1.00 0.00 C ATOM 712 C TYR A 19 -5.373 -14.392 -3.101 1.00 0.00 C ATOM 713 O TYR A 19 -4.416 -14.903 -2.546 1.00 0.00 O ATOM 714 CB TYR A 19 -5.957 -12.369 -1.822 1.00 0.00 C ATOM 715 CG TYR A 19 -5.430 -10.971 -1.543 1.00 0.00 C ATOM 716 CD1 TYR A 19 -5.352 -10.004 -2.563 1.00 0.00 C ATOM 717 CD2 TYR A 19 -5.040 -10.638 -0.238 1.00 0.00 C ATOM 718 CE1 TYR A 19 -4.886 -8.715 -2.266 1.00 0.00 C ATOM 719 CE2 TYR A 19 -4.571 -9.356 0.050 1.00 0.00 C ATOM 720 CZ TYR A 19 -4.499 -8.396 -0.958 1.00 0.00 C ATOM 721 OH TYR A 19 -4.059 -7.128 -0.656 1.00 0.00 O ATOM 0 H TYR A 19 -7.167 -11.703 -3.752 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.510 -12.546 -3.508 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.046 -12.361 -1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.618 -13.049 -1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.650 -10.254 -3.571 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.103 -11.377 0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.826 -7.969 -3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.263 -9.107 1.055 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.741 -6.662 -0.128 1.00 0.00 H new ATOM 731 N ARG A 20 -6.311 -15.107 -3.583 1.00 0.00 N ATOM 732 CA ARG A 20 -6.196 -16.590 -3.441 1.00 0.00 C ATOM 733 C ARG A 20 -5.351 -17.236 -4.540 1.00 0.00 C ATOM 734 O ARG A 20 -4.439 -17.987 -4.253 1.00 0.00 O ATOM 735 CB ARG A 20 -7.615 -17.177 -3.444 1.00 0.00 C ATOM 736 CG ARG A 20 -8.413 -16.721 -4.660 1.00 0.00 C ATOM 737 CD ARG A 20 -9.711 -16.112 -4.165 1.00 0.00 C ATOM 738 NE ARG A 20 -10.579 -16.001 -5.372 1.00 0.00 N ATOM 739 CZ ARG A 20 -11.879 -16.150 -5.271 1.00 0.00 C ATOM 740 NH1 ARG A 20 -12.521 -15.610 -4.266 1.00 0.00 N ATOM 741 NH2 ARG A 20 -12.523 -16.864 -6.154 1.00 0.00 N ATOM 0 H ARG A 20 -7.143 -14.762 -4.062 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.681 -16.806 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.558 -18.265 -3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.135 -16.876 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.845 -15.991 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.615 -17.563 -5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.175 -16.739 -3.404 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.540 -15.135 -3.712 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.160 -15.808 -6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.011 -15.075 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.531 -15.725 -4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.016 -17.305 -6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.533 -16.981 -6.077 1.00 0.00 H new ATOM 755 N GLY A 21 -5.661 -16.999 -5.779 1.00 0.00 N ATOM 756 CA GLY A 21 -4.891 -17.659 -6.869 1.00 0.00 C ATOM 757 C GLY A 21 -4.311 -16.706 -7.921 1.00 0.00 C ATOM 758 O GLY A 21 -3.806 -17.197 -8.919 1.00 0.00 O ATOM 0 H GLY A 21 -6.411 -16.380 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.073 -18.226 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.541 -18.377 -7.370 1.00 0.00 H new ATOM 762 N ALA A 22 -4.445 -15.388 -7.850 1.00 0.00 N ATOM 763 CA ALA A 22 -3.946 -14.651 -9.061 1.00 0.00 C ATOM 764 C ALA A 22 -2.419 -14.436 -9.115 1.00 0.00 C ATOM 765 O ALA A 22 -1.719 -15.296 -9.618 1.00 0.00 O ATOM 766 CB ALA A 22 -4.646 -13.292 -8.942 1.00 0.00 C ATOM 0 H ALA A 22 -4.838 -14.840 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.160 -15.221 -9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.356 -12.659 -9.781 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.726 -13.437 -8.953 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.354 -12.813 -8.008 1.00 0.00 H new ATOM 772 N GLN A 23 -1.857 -13.371 -8.574 1.00 0.00 N ATOM 773 CA GLN A 23 -0.357 -13.282 -8.611 1.00 0.00 C ATOM 774 C GLN A 23 0.267 -12.735 -7.324 1.00 0.00 C ATOM 775 O GLN A 23 0.934 -13.401 -6.556 1.00 0.00 O ATOM 776 CB GLN A 23 -0.020 -12.346 -9.789 1.00 0.00 C ATOM 777 CG GLN A 23 -0.607 -12.881 -11.101 1.00 0.00 C ATOM 778 CD GLN A 23 -0.556 -11.781 -12.163 1.00 0.00 C ATOM 779 OE1 GLN A 23 -0.864 -10.640 -11.881 1.00 0.00 O ATOM 780 NE2 GLN A 23 -0.171 -12.071 -13.371 1.00 0.00 N ATOM 0 H GLN A 23 -2.346 -12.595 -8.129 1.00 0.00 H new ATOM 0 HA GLN A 23 0.055 -14.285 -8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.413 -11.349 -9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.062 -12.249 -9.883 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.044 -13.752 -11.436 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.636 -13.206 -10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.088 -13.029 -13.608 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.128 -11.341 -14.082 1.00 0.00 H new ATOM 789 N THR A 24 0.065 -11.456 -7.186 1.00 0.00 N ATOM 790 CA THR A 24 0.606 -10.604 -6.092 1.00 0.00 C ATOM 791 C THR A 24 -0.107 -9.238 -6.218 1.00 0.00 C ATOM 792 O THR A 24 0.532 -8.208 -6.359 1.00 0.00 O ATOM 793 CB THR A 24 2.113 -10.451 -6.343 1.00 0.00 C ATOM 794 OG1 THR A 24 2.787 -11.713 -6.313 1.00 0.00 O ATOM 795 CG2 THR A 24 2.680 -9.561 -5.256 1.00 0.00 C ATOM 0 H THR A 24 -0.503 -10.927 -7.847 1.00 0.00 H new ATOM 0 HA THR A 24 0.447 -11.021 -5.098 1.00 0.00 H new ATOM 0 HB THR A 24 2.262 -10.019 -7.332 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.164 -12.410 -6.019 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.752 -9.435 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.192 -8.587 -5.292 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.505 -10.019 -4.283 1.00 0.00 H new ATOM 803 N LEU A 25 -1.405 -9.233 -6.320 1.00 0.00 N ATOM 804 CA LEU A 25 -2.126 -7.953 -6.617 1.00 0.00 C ATOM 805 C LEU A 25 -2.043 -6.989 -5.451 1.00 0.00 C ATOM 806 O LEU A 25 -2.260 -7.316 -4.306 1.00 0.00 O ATOM 807 CB LEU A 25 -3.580 -8.344 -6.875 1.00 0.00 C ATOM 808 CG LEU A 25 -4.215 -7.351 -7.858 1.00 0.00 C ATOM 809 CD1 LEU A 25 -4.899 -8.116 -8.993 1.00 0.00 C ATOM 810 CD2 LEU A 25 -5.251 -6.494 -7.126 1.00 0.00 C ATOM 0 H LEU A 25 -2.001 -10.053 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.680 -7.446 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.629 -9.354 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.137 -8.350 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.438 -6.708 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.349 -7.408 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.162 -8.723 -9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.674 -8.762 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.701 -5.790 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.027 -7.137 -6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.765 -5.944 -6.320 1.00 0.00 H new ATOM 822 N TYR A 26 -1.632 -5.806 -5.790 1.00 0.00 N ATOM 823 CA TYR A 26 -1.387 -4.728 -4.794 1.00 0.00 C ATOM 824 C TYR A 26 -2.645 -3.947 -4.383 1.00 0.00 C ATOM 825 O TYR A 26 -3.482 -3.602 -5.198 1.00 0.00 O ATOM 826 CB TYR A 26 -0.344 -3.812 -5.479 1.00 0.00 C ATOM 827 CG TYR A 26 -0.960 -2.486 -5.873 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.552 -2.331 -7.131 1.00 0.00 C ATOM 829 CD2 TYR A 26 -0.936 -1.415 -4.972 1.00 0.00 C ATOM 830 CE1 TYR A 26 -2.126 -1.107 -7.484 1.00 0.00 C ATOM 831 CE2 TYR A 26 -1.510 -0.192 -5.327 1.00 0.00 C ATOM 832 CZ TYR A 26 -2.102 -0.036 -6.585 1.00 0.00 C ATOM 833 OH TYR A 26 -2.669 1.169 -6.936 1.00 0.00 O ATOM 0 H TYR A 26 -1.448 -5.529 -6.754 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.041 -5.148 -3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.494 -3.641 -4.803 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.056 -4.308 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.565 -3.156 -7.828 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.474 -1.534 -4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.589 -0.988 -8.452 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.497 0.633 -4.630 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.785 1.722 -6.135 1.00 0.00 H new ATOM 843 N VAL A 27 -2.740 -3.646 -3.114 1.00 0.00 N ATOM 844 CA VAL A 27 -3.887 -2.848 -2.590 1.00 0.00 C ATOM 845 C VAL A 27 -3.340 -1.509 -2.052 1.00 0.00 C ATOM 846 O VAL A 27 -2.277 -1.475 -1.446 1.00 0.00 O ATOM 847 CB VAL A 27 -4.509 -3.706 -1.480 1.00 0.00 C ATOM 848 CG1 VAL A 27 -5.339 -2.836 -0.529 1.00 0.00 C ATOM 849 CG2 VAL A 27 -5.431 -4.749 -2.115 1.00 0.00 C ATOM 0 H VAL A 27 -2.059 -3.925 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.638 -2.611 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.709 -4.188 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.772 -3.461 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.698 -2.080 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.137 -2.347 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.878 -5.364 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.219 -4.245 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.854 -5.382 -2.789 1.00 0.00 H new ATOM 859 N PRO A 28 -4.061 -0.447 -2.333 1.00 0.00 N ATOM 860 CA PRO A 28 -3.631 0.917 -1.911 1.00 0.00 C ATOM 861 C PRO A 28 -3.863 1.186 -0.412 1.00 0.00 C ATOM 862 O PRO A 28 -4.764 0.646 0.204 1.00 0.00 O ATOM 863 CB PRO A 28 -4.500 1.842 -2.759 1.00 0.00 C ATOM 864 CG PRO A 28 -5.719 1.044 -3.096 1.00 0.00 C ATOM 865 CD PRO A 28 -5.330 -0.411 -3.082 1.00 0.00 C ATOM 0 HA PRO A 28 -2.560 1.059 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.762 2.747 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.975 2.157 -3.661 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.513 1.235 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.104 1.328 -4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.093 -1.021 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.205 -0.798 -4.093 1.00 0.00 H new ATOM 873 N ASN A 29 -3.047 2.040 0.164 1.00 0.00 N ATOM 874 CA ASN A 29 -3.194 2.392 1.612 1.00 0.00 C ATOM 875 C ASN A 29 -3.679 3.823 1.753 1.00 0.00 C ATOM 876 O ASN A 29 -3.183 4.710 1.087 1.00 0.00 O ATOM 877 CB ASN A 29 -1.797 2.341 2.206 1.00 0.00 C ATOM 878 CG ASN A 29 -1.882 2.272 3.737 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.679 1.229 4.325 1.00 0.00 O ATOM 880 ND2 ASN A 29 -2.158 3.351 4.414 1.00 0.00 N ATOM 0 H ASN A 29 -2.279 2.512 -0.313 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.896 1.714 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.261 1.472 1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.232 3.223 1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.203 3.317 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.329 4.230 3.925 1.00 0.00 H new ATOM 887 N CYS A 30 -4.588 4.078 2.640 1.00 0.00 N ATOM 888 CA CYS A 30 -5.036 5.482 2.827 1.00 0.00 C ATOM 889 C CYS A 30 -4.768 5.913 4.259 1.00 0.00 C ATOM 890 O CYS A 30 -5.088 5.218 5.206 1.00 0.00 O ATOM 891 CB CYS A 30 -6.540 5.512 2.546 1.00 0.00 C ATOM 892 SG CYS A 30 -6.995 4.240 1.335 1.00 0.00 S ATOM 0 H CYS A 30 -5.038 3.386 3.239 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.503 6.159 2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.091 5.352 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.825 6.495 2.172 1.00 0.00 H new ATOM 897 N ASP A 31 -4.204 7.064 4.419 1.00 0.00 N ATOM 898 CA ASP A 31 -3.924 7.582 5.781 1.00 0.00 C ATOM 899 C ASP A 31 -5.157 8.318 6.280 1.00 0.00 C ATOM 900 O ASP A 31 -6.153 8.415 5.579 1.00 0.00 O ATOM 901 CB ASP A 31 -2.733 8.534 5.648 1.00 0.00 C ATOM 902 CG ASP A 31 -1.505 7.913 6.315 1.00 0.00 C ATOM 903 OD1 ASP A 31 -0.913 7.024 5.726 1.00 0.00 O ATOM 904 OD2 ASP A 31 -1.169 8.342 7.404 1.00 0.00 O ATOM 0 H ASP A 31 -3.919 7.680 3.657 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.692 6.788 6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.528 8.731 4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.966 9.492 6.112 1.00 0.00 H new ATOM 909 N HIS A 32 -5.116 8.817 7.481 1.00 0.00 N ATOM 910 CA HIS A 32 -6.301 9.538 8.041 1.00 0.00 C ATOM 911 C HIS A 32 -6.869 10.567 7.037 1.00 0.00 C ATOM 912 O HIS A 32 -8.011 10.939 7.138 1.00 0.00 O ATOM 913 CB HIS A 32 -5.827 10.218 9.339 1.00 0.00 C ATOM 914 CG HIS A 32 -4.680 11.162 9.077 1.00 0.00 C ATOM 915 ND1 HIS A 32 -3.330 10.952 8.910 1.00 0.00 N flip ATOM 916 CD2 HIS A 32 -4.861 12.535 9.001 1.00 0.00 C flip ATOM 917 CE1 HIS A 32 -2.687 12.173 8.740 1.00 0.00 C flip ATOM 918 NE2 HIS A 32 -3.654 13.091 8.804 1.00 0.00 N flip ATOM 0 H HIS A 32 -4.312 8.759 8.105 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.116 8.843 8.242 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.656 10.765 9.789 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.519 9.459 10.058 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -2.872 10.041 8.911 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.801 13.061 9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.631 12.342 8.589 1.00 0.00 H new ATOM 926 N ARG A 33 -6.108 11.017 6.061 1.00 0.00 N ATOM 927 CA ARG A 33 -6.688 12.002 5.068 1.00 0.00 C ATOM 928 C ARG A 33 -7.514 11.287 3.970 1.00 0.00 C ATOM 929 O ARG A 33 -7.933 11.907 3.011 1.00 0.00 O ATOM 930 CB ARG A 33 -5.532 12.804 4.425 1.00 0.00 C ATOM 931 CG ARG A 33 -4.225 12.021 4.428 1.00 0.00 C ATOM 932 CD ARG A 33 -3.451 12.363 5.699 1.00 0.00 C ATOM 933 NE ARG A 33 -2.661 13.580 5.344 1.00 0.00 N ATOM 934 CZ ARG A 33 -2.807 14.682 6.032 1.00 0.00 C ATOM 935 NH1 ARG A 33 -3.715 15.558 5.685 1.00 0.00 N ATOM 936 NH2 ARG A 33 -2.043 14.897 7.067 1.00 0.00 N ATOM 0 H ARG A 33 -5.134 10.756 5.906 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.363 12.674 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.797 13.064 3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.395 13.740 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.426 10.951 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.633 12.270 3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.125 12.558 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.800 11.542 6.000 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.006 13.551 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.311 15.382 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.827 16.417 6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.339 14.208 7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.149 15.754 7.610 1.00 0.00 H new ATOM 950 N GLY A 34 -7.775 10.003 4.103 1.00 0.00 N ATOM 951 CA GLY A 34 -8.590 9.276 3.079 1.00 0.00 C ATOM 952 C GLY A 34 -7.892 9.189 1.710 1.00 0.00 C ATOM 953 O GLY A 34 -8.444 8.632 0.785 1.00 0.00 O ATOM 0 H GLY A 34 -7.455 9.428 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.801 8.269 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.549 9.780 2.961 1.00 0.00 H new ATOM 957 N PHE A 35 -6.698 9.702 1.564 1.00 0.00 N ATOM 958 CA PHE A 35 -5.992 9.602 0.242 1.00 0.00 C ATOM 959 C PHE A 35 -5.041 8.399 0.269 1.00 0.00 C ATOM 960 O PHE A 35 -4.727 7.897 1.328 1.00 0.00 O ATOM 961 CB PHE A 35 -5.186 10.901 0.116 1.00 0.00 C ATOM 962 CG PHE A 35 -5.976 11.921 -0.674 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.946 12.705 -0.037 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.737 12.078 -2.044 1.00 0.00 C ATOM 965 CE1 PHE A 35 -7.679 13.645 -0.772 1.00 0.00 C ATOM 966 CE2 PHE A 35 -6.469 13.017 -2.780 1.00 0.00 C ATOM 967 CZ PHE A 35 -7.441 13.800 -2.143 1.00 0.00 C ATOM 0 H PHE A 35 -6.179 10.185 2.297 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.682 9.470 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.955 11.294 1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.235 10.703 -0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.129 12.585 1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.987 11.474 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.427 14.250 -0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.285 13.138 -3.837 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.007 14.524 -2.710 1.00 0.00 H new ATOM 977 N TYR A 36 -4.537 7.965 -0.867 1.00 0.00 N ATOM 978 CA TYR A 36 -3.549 6.822 -0.862 1.00 0.00 C ATOM 979 C TYR A 36 -2.250 7.466 -0.414 1.00 0.00 C ATOM 980 O TYR A 36 -1.405 7.790 -1.219 1.00 0.00 O ATOM 981 CB TYR A 36 -3.401 6.283 -2.314 1.00 0.00 C ATOM 982 CG TYR A 36 -4.669 6.441 -3.136 1.00 0.00 C ATOM 983 CD1 TYR A 36 -4.903 7.632 -3.841 1.00 0.00 C ATOM 984 CD2 TYR A 36 -5.595 5.394 -3.212 1.00 0.00 C ATOM 985 CE1 TYR A 36 -6.058 7.772 -4.615 1.00 0.00 C ATOM 986 CE2 TYR A 36 -6.751 5.535 -3.988 1.00 0.00 C ATOM 987 CZ TYR A 36 -6.985 6.726 -4.687 1.00 0.00 C ATOM 988 OH TYR A 36 -8.125 6.870 -5.448 1.00 0.00 O ATOM 0 H TYR A 36 -4.760 8.344 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.845 5.990 -0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.585 6.809 -2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.126 5.229 -2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.190 8.441 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.417 4.476 -2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.235 8.688 -5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.463 4.725 -4.048 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.225 6.093 -6.037 1.00 0.00 H new ATOM 998 N ARG A 37 -2.148 7.793 0.844 1.00 0.00 N ATOM 999 CA ARG A 37 -0.965 8.577 1.261 1.00 0.00 C ATOM 1000 C ARG A 37 0.328 7.823 1.497 1.00 0.00 C ATOM 1001 O ARG A 37 1.347 8.158 0.947 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.391 9.257 2.564 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.189 9.993 3.163 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.622 10.830 4.374 1.00 0.00 C ATOM 1005 NE ARG A 37 0.171 10.291 5.518 1.00 0.00 N ATOM 1006 CZ ARG A 37 0.435 11.043 6.551 1.00 0.00 C ATOM 1007 NH1 ARG A 37 1.200 12.096 6.413 1.00 0.00 N ATOM 1008 NH2 ARG A 37 -0.057 10.732 7.722 1.00 0.00 N ATOM 0 H ARG A 37 -2.814 7.557 1.579 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.709 9.241 0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.204 9.958 2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.767 8.516 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.573 9.274 3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.262 10.639 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.417 11.889 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.692 10.736 4.557 1.00 0.00 H new ATOM 0 HE ARG A 37 0.509 9.329 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.589 12.328 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.407 12.685 7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.644 9.905 7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.147 11.317 8.532 1.00 0.00 H new ATOM 1022 N LYS A 38 0.328 6.916 2.402 1.00 0.00 N ATOM 1023 CA LYS A 38 1.622 6.264 2.762 1.00 0.00 C ATOM 1024 C LYS A 38 2.000 4.977 2.026 1.00 0.00 C ATOM 1025 O LYS A 38 3.139 4.818 1.627 1.00 0.00 O ATOM 1026 CB LYS A 38 1.463 5.966 4.244 1.00 0.00 C ATOM 1027 CG LYS A 38 2.763 5.397 4.782 1.00 0.00 C ATOM 1028 CD LYS A 38 2.808 5.596 6.293 1.00 0.00 C ATOM 1029 CE LYS A 38 1.765 4.688 6.960 1.00 0.00 C ATOM 1030 NZ LYS A 38 0.648 5.595 7.374 1.00 0.00 N ATOM 0 H LYS A 38 -0.492 6.589 2.913 1.00 0.00 H new ATOM 0 HA LYS A 38 2.432 6.936 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.200 6.876 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.650 5.257 4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.838 4.337 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.613 5.892 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.803 5.364 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.609 6.639 6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.413 3.922 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.189 4.170 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.024 5.069 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.033 6.396 7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.158 5.951 6.528 1.00 0.00 H new ATOM 1044 N ARG A 39 1.120 4.023 1.934 1.00 0.00 N ATOM 1045 CA ARG A 39 1.545 2.728 1.326 1.00 0.00 C ATOM 1046 C ARG A 39 0.820 2.317 0.048 1.00 0.00 C ATOM 1047 O ARG A 39 -0.361 2.528 -0.138 1.00 0.00 O ATOM 1048 CB ARG A 39 1.300 1.680 2.428 1.00 0.00 C ATOM 1049 CG ARG A 39 1.594 0.263 1.902 1.00 0.00 C ATOM 1050 CD ARG A 39 0.340 -0.327 1.224 1.00 0.00 C ATOM 1051 NE ARG A 39 -0.292 -1.221 2.240 1.00 0.00 N ATOM 1052 CZ ARG A 39 -1.585 -1.431 2.212 1.00 0.00 C ATOM 1053 NH1 ARG A 39 -2.094 -2.266 1.342 1.00 0.00 N ATOM 1054 NH2 ARG A 39 -2.356 -0.814 3.063 1.00 0.00 N ATOM 0 H ARG A 39 0.149 4.076 2.243 1.00 0.00 H new ATOM 0 HA ARG A 39 2.582 2.821 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.934 1.894 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.267 1.740 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.419 0.296 1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.908 -0.380 2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.346 0.462 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.607 -0.884 0.326 1.00 0.00 H new ATOM 0 HE ARG A 39 0.282 -1.668 2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.484 -2.753 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.101 -2.429 1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.952 -0.172 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.363 -0.973 3.047 1.00 0.00 H new ATOM 1068 N GLN A 40 1.541 1.593 -0.742 1.00 0.00 N ATOM 1069 CA GLN A 40 1.007 0.945 -1.959 1.00 0.00 C ATOM 1070 C GLN A 40 1.723 -0.405 -1.936 1.00 0.00 C ATOM 1071 O GLN A 40 2.938 -0.441 -1.844 1.00 0.00 O ATOM 1072 CB GLN A 40 1.440 1.814 -3.144 1.00 0.00 C ATOM 1073 CG GLN A 40 0.646 3.129 -3.148 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.701 2.919 -3.834 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.547 2.224 -3.327 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -0.943 3.501 -4.972 1.00 0.00 N ATOM 0 H GLN A 40 2.533 1.414 -0.585 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.075 0.826 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.508 2.024 -3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.276 1.277 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.493 3.475 -2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.211 3.904 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.232 4.090 -5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.844 3.369 -5.431 1.00 0.00 H new ATOM 1085 N CYS A 41 1.035 -1.512 -1.910 1.00 0.00 N ATOM 1086 CA CYS A 41 1.800 -2.794 -1.780 1.00 0.00 C ATOM 1087 C CYS A 41 1.249 -3.903 -2.641 1.00 0.00 C ATOM 1088 O CYS A 41 0.060 -4.095 -2.707 1.00 0.00 O ATOM 1089 CB CYS A 41 1.627 -3.192 -0.317 1.00 0.00 C ATOM 1090 SG CYS A 41 2.743 -2.222 0.717 1.00 0.00 S ATOM 0 H CYS A 41 0.020 -1.592 -1.970 1.00 0.00 H new ATOM 0 HA CYS A 41 2.833 -2.647 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.595 -3.029 -0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.834 -4.255 -0.193 1.00 0.00 H new ATOM 1095 N ARG A 42 2.118 -4.684 -3.231 1.00 0.00 N ATOM 1096 CA ARG A 42 1.661 -5.849 -4.033 1.00 0.00 C ATOM 1097 C ARG A 42 1.377 -6.981 -3.052 1.00 0.00 C ATOM 1098 O ARG A 42 2.208 -7.296 -2.218 1.00 0.00 O ATOM 1099 CB ARG A 42 2.835 -6.208 -4.944 1.00 0.00 C ATOM 1100 CG ARG A 42 2.982 -5.147 -6.034 1.00 0.00 C ATOM 1101 CD ARG A 42 2.523 -5.730 -7.374 1.00 0.00 C ATOM 1102 NE ARG A 42 3.752 -5.807 -8.216 1.00 0.00 N ATOM 1103 CZ ARG A 42 3.822 -6.661 -9.208 1.00 0.00 C ATOM 1104 NH1 ARG A 42 2.816 -6.782 -10.039 1.00 0.00 N ATOM 1105 NH2 ARG A 42 4.885 -7.401 -9.353 1.00 0.00 N ATOM 0 H ARG A 42 3.130 -4.560 -3.189 1.00 0.00 H new ATOM 0 HA ARG A 42 0.766 -5.654 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.754 -6.274 -4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.672 -7.187 -5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.388 -4.268 -5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.020 -4.821 -6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.076 -6.715 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.767 -5.097 -7.839 1.00 0.00 H new ATOM 0 HE ARG A 42 4.542 -5.192 -8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.980 -6.212 -9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.869 -7.446 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.660 -7.315 -8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.942 -8.066 -10.124 1.00 0.00 H new ATOM 1119 N SER A 43 0.210 -7.562 -3.119 1.00 0.00 N ATOM 1120 CA SER A 43 -0.148 -8.647 -2.162 1.00 0.00 C ATOM 1121 C SER A 43 -0.143 -10.011 -2.852 1.00 0.00 C ATOM 1122 O SER A 43 -0.861 -10.253 -3.823 1.00 0.00 O ATOM 1123 CB SER A 43 -1.548 -8.300 -1.668 1.00 0.00 C ATOM 1124 OG SER A 43 -1.564 -6.949 -1.205 1.00 0.00 O ATOM 0 H SER A 43 -0.514 -7.330 -3.799 1.00 0.00 H new ATOM 0 HA SER A 43 0.569 -8.714 -1.344 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.272 -8.429 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.840 -8.976 -0.864 1.00 0.00 H new ATOM 0 HG SER A 43 -2.391 -6.784 -0.706 1.00 0.00 H new ATOM 1130 N SER A 44 0.664 -10.890 -2.337 1.00 0.00 N ATOM 1131 CA SER A 44 0.789 -12.263 -2.890 1.00 0.00 C ATOM 1132 C SER A 44 -0.169 -13.211 -2.164 1.00 0.00 C ATOM 1133 O SER A 44 -0.754 -12.865 -1.154 1.00 0.00 O ATOM 1134 CB SER A 44 2.249 -12.657 -2.642 1.00 0.00 C ATOM 1135 OG SER A 44 2.887 -11.676 -1.819 1.00 0.00 O ATOM 0 H SER A 44 1.261 -10.708 -1.530 1.00 0.00 H new ATOM 0 HA SER A 44 0.534 -12.313 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.294 -13.633 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.777 -12.746 -3.592 1.00 0.00 H new ATOM 0 HG SER A 44 3.166 -10.916 -2.372 1.00 0.00 H new ATOM 1141 N GLN A 45 -0.354 -14.391 -2.686 1.00 0.00 N ATOM 1142 CA GLN A 45 -1.292 -15.360 -2.042 1.00 0.00 C ATOM 1143 C GLN A 45 -0.664 -16.010 -0.799 1.00 0.00 C ATOM 1144 O GLN A 45 -1.326 -16.207 0.204 1.00 0.00 O ATOM 1145 CB GLN A 45 -1.575 -16.424 -3.110 1.00 0.00 C ATOM 1146 CG GLN A 45 -2.123 -15.768 -4.386 1.00 0.00 C ATOM 1147 CD GLN A 45 -1.535 -16.473 -5.613 1.00 0.00 C ATOM 1148 OE1 GLN A 45 -1.955 -17.556 -5.963 1.00 0.00 O ATOM 1149 NE2 GLN A 45 -0.565 -15.912 -6.282 1.00 0.00 N ATOM 0 H GLN A 45 0.104 -14.729 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.200 -14.861 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.661 -16.971 -3.339 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.294 -17.149 -2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.211 -15.832 -4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.866 -14.709 -4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.207 -15.002 -5.994 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.165 -16.384 -7.093 1.00 0.00 H new ATOM 1158 N GLY A 46 0.596 -16.372 -0.860 1.00 0.00 N ATOM 1159 CA GLY A 46 1.243 -17.041 0.314 1.00 0.00 C ATOM 1160 C GLY A 46 1.843 -16.008 1.274 1.00 0.00 C ATOM 1161 O GLY A 46 1.294 -14.940 1.480 1.00 0.00 O ATOM 0 H GLY A 46 1.202 -16.234 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.508 -17.649 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.025 -17.717 -0.033 1.00 0.00 H new ATOM 1165 N GLN A 47 2.966 -16.331 1.880 1.00 0.00 N ATOM 1166 CA GLN A 47 3.615 -15.387 2.849 1.00 0.00 C ATOM 1167 C GLN A 47 4.530 -14.387 2.117 1.00 0.00 C ATOM 1168 O GLN A 47 5.223 -13.604 2.741 1.00 0.00 O ATOM 1169 CB GLN A 47 4.429 -16.278 3.806 1.00 0.00 C ATOM 1170 CG GLN A 47 5.266 -15.406 4.750 1.00 0.00 C ATOM 1171 CD GLN A 47 5.105 -15.881 6.197 1.00 0.00 C ATOM 1172 OE1 GLN A 47 6.076 -16.207 6.853 1.00 0.00 O ATOM 1173 NE2 GLN A 47 3.915 -15.934 6.732 1.00 0.00 N ATOM 0 H GLN A 47 3.462 -17.212 1.743 1.00 0.00 H new ATOM 0 HA GLN A 47 2.877 -14.789 3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.758 -16.913 4.384 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.081 -16.939 3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.316 -15.450 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.955 -14.365 4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.098 -15.662 6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.803 -16.248 7.696 1.00 0.00 H new ATOM 1182 N ARG A 48 4.524 -14.384 0.811 1.00 0.00 N ATOM 1183 CA ARG A 48 5.378 -13.417 0.051 1.00 0.00 C ATOM 1184 C ARG A 48 4.963 -11.963 0.360 1.00 0.00 C ATOM 1185 O ARG A 48 5.638 -11.041 -0.054 1.00 0.00 O ATOM 1186 CB ARG A 48 5.145 -13.746 -1.429 1.00 0.00 C ATOM 1187 CG ARG A 48 6.212 -13.063 -2.295 1.00 0.00 C ATOM 1188 CD ARG A 48 5.538 -12.328 -3.466 1.00 0.00 C ATOM 1189 NE ARG A 48 6.457 -12.499 -4.632 1.00 0.00 N ATOM 1190 CZ ARG A 48 6.104 -13.264 -5.638 1.00 0.00 C ATOM 1191 NH1 ARG A 48 5.012 -12.995 -6.317 1.00 0.00 N ATOM 1192 NH2 ARG A 48 6.831 -14.303 -5.949 1.00 0.00 N ATOM 0 H ARG A 48 3.964 -15.011 0.233 1.00 0.00 H new ATOM 0 HA ARG A 48 6.430 -13.504 0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.179 -14.825 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.152 -13.413 -1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.786 -12.358 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.915 -13.804 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.554 -12.747 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.392 -11.273 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 48 7.358 -12.021 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.438 -12.191 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.738 -13.590 -7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.670 -14.518 -5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.560 -14.900 -6.730 1.00 0.00 H new ATOM 1206 N ARG A 49 3.861 -11.777 1.083 1.00 0.00 N ATOM 1207 CA ARG A 49 3.338 -10.408 1.453 1.00 0.00 C ATOM 1208 C ARG A 49 4.238 -9.287 0.933 1.00 0.00 C ATOM 1209 O ARG A 49 5.171 -8.861 1.592 1.00 0.00 O ATOM 1210 CB ARG A 49 3.339 -10.386 2.988 1.00 0.00 C ATOM 1211 CG ARG A 49 2.141 -11.168 3.539 1.00 0.00 C ATOM 1212 CD ARG A 49 2.530 -11.829 4.872 1.00 0.00 C ATOM 1213 NE ARG A 49 2.667 -10.703 5.851 1.00 0.00 N ATOM 1214 CZ ARG A 49 3.695 -10.657 6.662 1.00 0.00 C ATOM 1215 NH1 ARG A 49 4.813 -10.105 6.265 1.00 0.00 N ATOM 1216 NH2 ARG A 49 3.591 -11.167 7.864 1.00 0.00 N ATOM 0 H ARG A 49 3.291 -12.544 1.439 1.00 0.00 H new ATOM 0 HA ARG A 49 2.353 -10.242 1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.266 -10.819 3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.302 -9.356 3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.293 -10.499 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.828 -11.927 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.769 -12.539 5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.464 -12.383 4.778 1.00 0.00 H new ATOM 0 HE ARG A 49 1.958 -9.970 5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.883 -9.712 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.615 -10.068 6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.715 -11.596 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.386 -11.136 8.502 1.00 0.00 H new ATOM 1230 N GLY A 50 3.966 -8.819 -0.251 1.00 0.00 N ATOM 1231 CA GLY A 50 4.798 -7.739 -0.843 1.00 0.00 C ATOM 1232 C GLY A 50 4.873 -7.942 -2.360 1.00 0.00 C ATOM 1233 O GLY A 50 4.146 -8.744 -2.915 1.00 0.00 O ATOM 0 H GLY A 50 3.197 -9.141 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.368 -6.764 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.799 -7.755 -0.411 1.00 0.00 H new ATOM 1237 N PRO A 51 5.758 -7.211 -2.987 1.00 0.00 N ATOM 1238 CA PRO A 51 6.630 -6.248 -2.261 1.00 0.00 C ATOM 1239 C PRO A 51 5.898 -4.952 -1.898 1.00 0.00 C ATOM 1240 O PRO A 51 5.059 -4.455 -2.633 1.00 0.00 O ATOM 1241 CB PRO A 51 7.752 -5.959 -3.244 1.00 0.00 C ATOM 1242 CG PRO A 51 7.175 -6.235 -4.594 1.00 0.00 C ATOM 1243 CD PRO A 51 6.042 -7.222 -4.427 1.00 0.00 C ATOM 0 HA PRO A 51 6.974 -6.659 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.088 -4.925 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.618 -6.592 -3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.813 -5.313 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.938 -6.640 -5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.168 -6.925 -5.007 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.328 -8.217 -4.768 1.00 0.00 H new ATOM 1251 N CYS A 52 6.235 -4.405 -0.768 1.00 0.00 N ATOM 1252 CA CYS A 52 5.613 -3.126 -0.310 1.00 0.00 C ATOM 1253 C CYS A 52 6.485 -1.931 -0.687 1.00 0.00 C ATOM 1254 O CYS A 52 7.690 -2.046 -0.820 1.00 0.00 O ATOM 1255 CB CYS A 52 5.528 -3.236 1.213 1.00 0.00 C ATOM 1256 SG CYS A 52 3.828 -3.610 1.694 1.00 0.00 S ATOM 0 H CYS A 52 6.927 -4.794 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 52 4.638 -2.974 -0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.199 -4.017 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.851 -2.303 1.675 1.00 0.00 H new ATOM 1261 N TRP A 53 5.895 -0.776 -0.807 1.00 0.00 N ATOM 1262 CA TRP A 53 6.691 0.450 -1.114 1.00 0.00 C ATOM 1263 C TRP A 53 5.888 1.691 -0.708 1.00 0.00 C ATOM 1264 O TRP A 53 4.671 1.709 -0.793 1.00 0.00 O ATOM 1265 CB TRP A 53 7.011 0.404 -2.621 1.00 0.00 C ATOM 1266 CG TRP A 53 5.808 0.704 -3.465 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.406 1.941 -3.843 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.863 -0.233 -4.065 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.277 1.821 -4.635 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.898 0.503 -4.793 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.749 -1.634 -4.041 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.860 -0.133 -5.478 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.704 -2.275 -4.725 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.760 -1.525 -5.441 1.00 0.00 C ATOM 0 H TRP A 53 4.891 -0.625 -0.706 1.00 0.00 H new ATOM 0 HA TRP A 53 7.626 0.495 -0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.799 1.123 -2.846 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.397 -0.582 -2.879 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.887 2.869 -3.571 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.785 2.611 -5.052 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.470 -2.221 -3.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.139 0.449 -6.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.627 -3.352 -4.700 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.957 -2.024 -5.963 1.00 0.00 H new ATOM 1285 N CYS A 54 6.550 2.711 -0.228 1.00 0.00 N ATOM 1286 CA CYS A 54 5.819 3.935 0.216 1.00 0.00 C ATOM 1287 C CYS A 54 5.445 4.805 -0.985 1.00 0.00 C ATOM 1288 O CYS A 54 6.022 4.694 -2.057 1.00 0.00 O ATOM 1289 CB CYS A 54 6.775 4.673 1.147 1.00 0.00 C ATOM 1290 SG CYS A 54 7.149 3.625 2.575 1.00 0.00 S ATOM 0 H CYS A 54 7.564 2.750 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 54 4.886 3.686 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.693 4.927 0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.328 5.611 1.477 1.00 0.00 H new ATOM 1295 N VAL A 55 4.470 5.657 -0.814 1.00 0.00 N ATOM 1296 CA VAL A 55 4.009 6.533 -1.941 1.00 0.00 C ATOM 1297 C VAL A 55 3.562 7.893 -1.411 1.00 0.00 C ATOM 1298 O VAL A 55 3.449 8.085 -0.219 1.00 0.00 O ATOM 1299 CB VAL A 55 2.823 5.796 -2.565 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.336 4.579 -3.330 1.00 0.00 C ATOM 1301 CG2 VAL A 55 1.855 5.342 -1.468 1.00 0.00 C ATOM 0 H VAL A 55 3.967 5.788 0.063 1.00 0.00 H new ATOM 0 HA VAL A 55 4.805 6.716 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 55 2.298 6.465 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.495 4.049 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.019 4.904 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.861 3.913 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.013 4.818 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.372 4.673 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.490 6.212 -0.922 1.00 0.00 H new ATOM 1311 N ASP A 56 3.313 8.838 -2.285 1.00 0.00 N ATOM 1312 CA ASP A 56 2.855 10.179 -1.832 1.00 0.00 C ATOM 1313 C ASP A 56 1.327 10.168 -1.703 1.00 0.00 C ATOM 1314 O ASP A 56 0.684 9.170 -1.950 1.00 0.00 O ATOM 1315 CB ASP A 56 3.317 11.170 -2.912 1.00 0.00 C ATOM 1316 CG ASP A 56 2.354 11.157 -4.099 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.424 10.236 -4.895 1.00 0.00 O ATOM 1318 OD2 ASP A 56 1.567 12.080 -4.203 1.00 0.00 O ATOM 0 H ASP A 56 3.409 8.733 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 56 3.263 10.457 -0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.372 12.174 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.321 10.909 -3.248 1.00 0.00 H new ATOM 1323 N ARG A 57 0.759 11.272 -1.312 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.737 11.366 -1.137 1.00 0.00 C ATOM 1325 C ARG A 57 -1.506 10.815 -2.348 1.00 0.00 C ATOM 1326 O ARG A 57 -2.622 10.342 -2.211 1.00 0.00 O ATOM 1327 CB ARG A 57 -1.021 12.863 -0.958 1.00 0.00 C ATOM 1328 CG ARG A 57 -0.632 13.630 -2.232 1.00 0.00 C ATOM 1329 CD ARG A 57 -0.092 15.019 -1.867 1.00 0.00 C ATOM 1330 NE ARG A 57 1.380 14.838 -1.730 1.00 0.00 N ATOM 1331 CZ ARG A 57 2.183 15.276 -2.666 1.00 0.00 C ATOM 1332 NH1 ARG A 57 2.421 14.536 -3.720 1.00 0.00 N ATOM 1333 NH2 ARG A 57 2.734 16.456 -2.552 1.00 0.00 N ATOM 0 H ARG A 57 1.265 12.132 -1.100 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.067 10.767 -0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.078 13.017 -0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.460 13.248 -0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.123 13.072 -2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.499 13.728 -2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.329 15.750 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.533 15.382 -0.939 1.00 0.00 H new ATOM 0 HE ARG A 57 1.762 14.373 -0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.981 13.620 -3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.046 14.875 -4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.538 17.034 -1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.360 16.799 -3.280 1.00 0.00 H new ATOM 1347 N MET A 58 -0.941 10.878 -3.523 1.00 0.00 N ATOM 1348 CA MET A 58 -1.663 10.357 -4.723 1.00 0.00 C ATOM 1349 C MET A 58 -1.516 8.835 -4.809 1.00 0.00 C ATOM 1350 O MET A 58 -2.300 8.164 -5.455 1.00 0.00 O ATOM 1351 CB MET A 58 -0.992 11.025 -5.919 1.00 0.00 C ATOM 1352 CG MET A 58 -1.171 12.538 -5.831 1.00 0.00 C ATOM 1353 SD MET A 58 -2.434 13.066 -7.018 1.00 0.00 S ATOM 1354 CE MET A 58 -3.725 11.879 -6.552 1.00 0.00 C ATOM 0 H MET A 58 -0.015 11.265 -3.706 1.00 0.00 H new ATOM 0 HA MET A 58 -2.730 10.574 -4.684 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.069 10.775 -5.939 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.425 10.651 -6.847 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.465 12.822 -4.821 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.226 13.040 -6.041 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.664 12.157 -7.030 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.434 10.880 -6.876 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.853 11.887 -5.470 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.528 8.290 -4.158 1.00 0.00 N ATOM 1365 CA GLY A 59 -0.336 6.814 -4.186 1.00 0.00 C ATOM 1366 C GLY A 59 0.764 6.434 -5.179 1.00 0.00 C ATOM 1367 O GLY A 59 0.826 5.304 -5.631 1.00 0.00 O ATOM 0 H GLY A 59 0.158 8.805 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.074 6.457 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.270 6.325 -4.464 1.00 0.00 H new ATOM 1371 N LYS A 60 1.639 7.341 -5.528 1.00 0.00 N ATOM 1372 CA LYS A 60 2.715 6.975 -6.480 1.00 0.00 C ATOM 1373 C LYS A 60 3.979 6.615 -5.695 1.00 0.00 C ATOM 1374 O LYS A 60 4.260 7.174 -4.652 1.00 0.00 O ATOM 1375 CB LYS A 60 2.906 8.207 -7.370 1.00 0.00 C ATOM 1376 CG LYS A 60 4.301 8.796 -7.181 1.00 0.00 C ATOM 1377 CD LYS A 60 4.455 9.983 -8.116 1.00 0.00 C ATOM 1378 CE LYS A 60 4.688 11.270 -7.315 1.00 0.00 C ATOM 1379 NZ LYS A 60 3.324 11.749 -6.959 1.00 0.00 N ATOM 0 H LYS A 60 1.652 8.306 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 60 2.476 6.105 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.760 7.934 -8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.153 8.957 -7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.443 9.108 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.061 8.045 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.291 9.813 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.561 10.087 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.285 11.078 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.226 12.012 -7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.399 12.559 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.822 12.041 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.797 10.982 -6.495 1.00 0.00 H new ATOM 1393 N SER A 61 4.726 5.677 -6.190 1.00 0.00 N ATOM 1394 CA SER A 61 5.967 5.228 -5.499 1.00 0.00 C ATOM 1395 C SER A 61 6.939 6.386 -5.303 1.00 0.00 C ATOM 1396 O SER A 61 7.340 7.047 -6.245 1.00 0.00 O ATOM 1397 CB SER A 61 6.570 4.170 -6.423 1.00 0.00 C ATOM 1398 OG SER A 61 5.518 3.430 -7.037 1.00 0.00 O ATOM 0 H SER A 61 4.528 5.189 -7.064 1.00 0.00 H new ATOM 0 HA SER A 61 5.756 4.837 -4.504 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.189 4.645 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.218 3.502 -5.856 1.00 0.00 H new ATOM 0 HG SER A 61 5.146 2.793 -6.392 1.00 0.00 H new ATOM 1404 N LEU A 62 7.324 6.615 -4.081 1.00 0.00 N ATOM 1405 CA LEU A 62 8.292 7.712 -3.779 1.00 0.00 C ATOM 1406 C LEU A 62 9.722 7.176 -3.932 1.00 0.00 C ATOM 1407 O LEU A 62 10.013 6.071 -3.501 1.00 0.00 O ATOM 1408 CB LEU A 62 8.017 8.117 -2.323 1.00 0.00 C ATOM 1409 CG LEU A 62 6.738 8.961 -2.247 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.326 9.131 -0.788 1.00 0.00 C ATOM 1411 CD2 LEU A 62 6.992 10.338 -2.858 1.00 0.00 C ATOM 0 H LEU A 62 7.008 6.086 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 62 8.183 8.564 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.913 7.227 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.861 8.683 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 62 5.944 8.458 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.417 9.731 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.142 8.152 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.124 9.632 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.081 10.934 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.788 10.839 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.288 10.224 -3.901 1.00 0.00 H new ATOM 1423 N PRO A 63 10.570 7.969 -4.550 1.00 0.00 N ATOM 1424 CA PRO A 63 11.981 7.556 -4.760 1.00 0.00 C ATOM 1425 C PRO A 63 12.769 7.627 -3.446 1.00 0.00 C ATOM 1426 O PRO A 63 13.155 6.613 -2.895 1.00 0.00 O ATOM 1427 CB PRO A 63 12.504 8.561 -5.785 1.00 0.00 C ATOM 1428 CG PRO A 63 11.628 9.770 -5.642 1.00 0.00 C ATOM 1429 CD PRO A 63 10.297 9.305 -5.104 1.00 0.00 C ATOM 0 HA PRO A 63 12.080 6.526 -5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.548 8.808 -5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.451 8.155 -6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.082 10.495 -4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.500 10.267 -6.604 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.920 9.983 -4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.544 9.262 -5.891 1.00 0.00 H new ATOM 1437 N GLY A 64 13.005 8.809 -2.936 1.00 0.00 N ATOM 1438 CA GLY A 64 13.766 8.933 -1.663 1.00 0.00 C ATOM 1439 C GLY A 64 15.257 9.061 -1.980 1.00 0.00 C ATOM 1440 O GLY A 64 15.725 8.590 -3.001 1.00 0.00 O ATOM 0 H GLY A 64 12.702 9.692 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.424 9.804 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.589 8.061 -1.033 1.00 0.00 H new ATOM 1444 N SER A 65 16.003 9.696 -1.118 1.00 0.00 N ATOM 1445 CA SER A 65 17.469 9.863 -1.363 1.00 0.00 C ATOM 1446 C SER A 65 18.184 8.510 -1.242 1.00 0.00 C ATOM 1447 O SER A 65 17.625 7.555 -0.729 1.00 0.00 O ATOM 1448 CB SER A 65 17.964 10.833 -0.283 1.00 0.00 C ATOM 1449 OG SER A 65 16.932 11.079 0.676 1.00 0.00 O ATOM 0 H SER A 65 15.661 10.109 -0.250 1.00 0.00 H new ATOM 0 HA SER A 65 17.672 10.244 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.840 10.417 0.215 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.274 11.772 -0.742 1.00 0.00 H new ATOM 0 HG SER A 65 17.262 11.698 1.360 1.00 0.00 H new ATOM 1455 N PRO A 66 19.412 8.464 -1.708 1.00 0.00 N ATOM 1456 CA PRO A 66 20.201 7.205 -1.645 1.00 0.00 C ATOM 1457 C PRO A 66 20.487 6.821 -0.190 1.00 0.00 C ATOM 1458 O PRO A 66 20.716 5.666 0.118 1.00 0.00 O ATOM 1459 CB PRO A 66 21.484 7.542 -2.409 1.00 0.00 C ATOM 1460 CG PRO A 66 21.595 9.029 -2.322 1.00 0.00 C ATOM 1461 CD PRO A 66 20.182 9.559 -2.316 1.00 0.00 C ATOM 0 HA PRO A 66 19.682 6.348 -2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 66 22.350 7.053 -1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 66 21.427 7.209 -3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 66 22.126 9.327 -1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 66 22.156 9.427 -3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 66 20.100 10.479 -1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 66 19.833 9.785 -3.324 1.00 0.00 H new ATOM 1469 N ASP A 67 20.450 7.769 0.708 1.00 0.00 N ATOM 1470 CA ASP A 67 20.694 7.447 2.145 1.00 0.00 C ATOM 1471 C ASP A 67 19.476 6.721 2.744 1.00 0.00 C ATOM 1472 O ASP A 67 19.510 6.278 3.877 1.00 0.00 O ATOM 1473 CB ASP A 67 20.902 8.798 2.834 1.00 0.00 C ATOM 1474 CG ASP A 67 21.411 8.578 4.257 1.00 0.00 C ATOM 1475 OD1 ASP A 67 22.337 7.804 4.428 1.00 0.00 O ATOM 1476 OD2 ASP A 67 20.875 9.194 5.157 1.00 0.00 O ATOM 0 H ASP A 67 20.262 8.752 0.509 1.00 0.00 H new ATOM 0 HA ASP A 67 21.553 6.789 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 67 21.617 9.398 2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 67 19.965 9.354 2.855 1.00 0.00 H new ATOM 1481 N GLY A 68 18.404 6.593 1.996 1.00 0.00 N ATOM 1482 CA GLY A 68 17.196 5.897 2.526 1.00 0.00 C ATOM 1483 C GLY A 68 16.437 6.834 3.468 1.00 0.00 C ATOM 1484 O GLY A 68 16.123 6.471 4.588 1.00 0.00 O ATOM 0 H GLY A 68 18.318 6.942 1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 68 16.550 5.590 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.489 4.991 3.056 1.00 0.00 H new ATOM 1488 N ASN A 69 16.140 8.036 3.034 1.00 0.00 N ATOM 1489 CA ASN A 69 15.403 8.986 3.923 1.00 0.00 C ATOM 1490 C ASN A 69 13.957 8.517 4.105 1.00 0.00 C ATOM 1491 O ASN A 69 13.234 8.312 3.143 1.00 0.00 O ATOM 1492 CB ASN A 69 15.448 10.342 3.214 1.00 0.00 C ATOM 1493 CG ASN A 69 14.561 11.341 3.960 1.00 0.00 C ATOM 1494 OD1 ASN A 69 13.546 11.759 3.450 1.00 0.00 O ATOM 1495 ND2 ASN A 69 14.904 11.739 5.151 1.00 0.00 N ATOM 0 H ASN A 69 16.375 8.397 2.109 1.00 0.00 H new ATOM 0 HA ASN A 69 15.849 9.045 4.916 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.473 10.709 3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 69 15.108 10.237 2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.317 12.404 5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.760 11.386 5.580 1.00 0.00 H new ATOM 1502 N GLY A 70 13.537 8.343 5.329 1.00 0.00 N ATOM 1503 CA GLY A 70 12.146 7.876 5.595 1.00 0.00 C ATOM 1504 C GLY A 70 11.138 8.976 5.252 1.00 0.00 C ATOM 1505 O GLY A 70 10.110 8.711 4.663 1.00 0.00 O ATOM 0 H GLY A 70 14.102 8.506 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.936 6.984 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.044 7.595 6.643 1.00 0.00 H new ATOM 1509 N SER A 71 11.413 10.207 5.617 1.00 0.00 N ATOM 1510 CA SER A 71 10.453 11.325 5.320 1.00 0.00 C ATOM 1511 C SER A 71 10.082 11.349 3.830 1.00 0.00 C ATOM 1512 O SER A 71 8.928 11.506 3.473 1.00 0.00 O ATOM 1513 CB SER A 71 11.197 12.612 5.693 1.00 0.00 C ATOM 1514 OG SER A 71 12.101 12.351 6.765 1.00 0.00 O ATOM 0 H SER A 71 12.261 10.488 6.108 1.00 0.00 H new ATOM 0 HA SER A 71 9.524 11.207 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.742 12.992 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.485 13.384 5.985 1.00 0.00 H new ATOM 0 HG SER A 71 12.576 13.175 7.000 1.00 0.00 H new ATOM 1520 N SER A 72 11.047 11.210 2.961 1.00 0.00 N ATOM 1521 CA SER A 72 10.747 11.242 1.499 1.00 0.00 C ATOM 1522 C SER A 72 10.009 9.975 1.048 1.00 0.00 C ATOM 1523 O SER A 72 9.372 9.970 0.009 1.00 0.00 O ATOM 1524 CB SER A 72 12.107 11.334 0.807 1.00 0.00 C ATOM 1525 OG SER A 72 12.699 12.604 1.086 1.00 0.00 O ATOM 0 H SER A 72 12.030 11.076 3.199 1.00 0.00 H new ATOM 0 HA SER A 72 10.097 12.081 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.759 10.533 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.989 11.204 -0.269 1.00 0.00 H new ATOM 0 HG SER A 72 13.120 12.582 1.971 1.00 0.00 H new ATOM 1531 N SER A 73 10.085 8.905 1.803 1.00 0.00 N ATOM 1532 CA SER A 73 9.384 7.649 1.394 1.00 0.00 C ATOM 1533 C SER A 73 8.061 7.517 2.148 1.00 0.00 C ATOM 1534 O SER A 73 7.002 7.490 1.551 1.00 0.00 O ATOM 1535 CB SER A 73 10.341 6.496 1.737 1.00 0.00 C ATOM 1536 OG SER A 73 11.079 6.800 2.920 1.00 0.00 O ATOM 0 H SER A 73 10.600 8.848 2.681 1.00 0.00 H new ATOM 0 HA SER A 73 9.142 7.645 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.775 5.575 1.880 1.00 0.00 H new ATOM 0 HB3 SER A 73 11.026 6.324 0.907 1.00 0.00 H new ATOM 0 HG SER A 73 11.850 7.359 2.690 1.00 0.00 H new ATOM 1542 N CYS A 74 8.109 7.441 3.444 1.00 0.00 N ATOM 1543 CA CYS A 74 6.846 7.317 4.233 1.00 0.00 C ATOM 1544 C CYS A 74 6.905 8.216 5.474 1.00 0.00 C ATOM 1545 O CYS A 74 7.915 8.273 6.149 1.00 0.00 O ATOM 1546 CB CYS A 74 6.735 5.834 4.635 1.00 0.00 C ATOM 1547 SG CYS A 74 8.074 4.857 3.883 1.00 0.00 S ATOM 0 H CYS A 74 8.966 7.459 3.997 1.00 0.00 H new ATOM 0 HA CYS A 74 5.978 7.631 3.653 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.778 5.743 5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.769 5.439 4.320 1.00 0.00 H new ATOM 1552 N PRO A 75 5.814 8.906 5.731 1.00 0.00 N ATOM 1553 CA PRO A 75 5.750 9.819 6.897 1.00 0.00 C ATOM 1554 C PRO A 75 5.525 9.050 8.212 1.00 0.00 C ATOM 1555 O PRO A 75 6.464 8.760 8.930 1.00 0.00 O ATOM 1556 CB PRO A 75 4.568 10.731 6.570 1.00 0.00 C ATOM 1557 CG PRO A 75 3.697 9.950 5.632 1.00 0.00 C ATOM 1558 CD PRO A 75 4.559 8.902 4.965 1.00 0.00 C ATOM 0 HA PRO A 75 6.678 10.368 7.052 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.023 11.004 7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.906 11.659 6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.876 9.481 6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.251 10.609 4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.082 7.922 4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.735 9.143 3.917 1.00 0.00 H new ATOM 1566 N THR A 76 4.297 8.727 8.549 1.00 0.00 N ATOM 1567 CA THR A 76 4.045 7.997 9.830 1.00 0.00 C ATOM 1568 C THR A 76 2.884 7.008 9.679 1.00 0.00 C ATOM 1569 O THR A 76 2.086 7.106 8.760 1.00 0.00 O ATOM 1570 CB THR A 76 3.695 9.104 10.838 1.00 0.00 C ATOM 1571 OG1 THR A 76 3.961 8.651 12.160 1.00 0.00 O ATOM 1572 CG2 THR A 76 2.213 9.470 10.719 1.00 0.00 C ATOM 0 H THR A 76 3.466 8.936 7.996 1.00 0.00 H new ATOM 0 HA THR A 76 4.904 7.405 10.145 1.00 0.00 H new ATOM 0 HB THR A 76 4.303 9.983 10.623 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.207 9.414 12.724 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.973 10.255 11.436 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.006 9.826 9.710 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.603 8.591 10.926 1.00 0.00 H new ATOM 1580 N GLY A 77 2.774 6.069 10.580 1.00 0.00 N ATOM 1581 CA GLY A 77 1.658 5.082 10.507 1.00 0.00 C ATOM 1582 C GLY A 77 0.401 5.731 11.077 1.00 0.00 C ATOM 1583 O GLY A 77 -0.407 6.280 10.352 1.00 0.00 O ATOM 0 H GLY A 77 3.411 5.943 11.366 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.491 4.775 9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.909 4.183 11.070 1.00 0.00 H new ATOM 1587 N SER A 78 0.238 5.682 12.367 1.00 0.00 N ATOM 1588 CA SER A 78 -0.956 6.306 13.006 1.00 0.00 C ATOM 1589 C SER A 78 -0.504 7.276 14.108 1.00 0.00 C ATOM 1590 O SER A 78 -1.229 7.545 15.044 1.00 0.00 O ATOM 1591 CB SER A 78 -1.746 5.137 13.603 1.00 0.00 C ATOM 1592 OG SER A 78 -1.792 4.054 12.674 1.00 0.00 O ATOM 0 H SER A 78 0.886 5.233 13.014 1.00 0.00 H new ATOM 0 HA SER A 78 -1.558 6.878 12.300 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.281 4.810 14.533 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.758 5.459 13.849 1.00 0.00 H new ATOM 0 HG SER A 78 -2.297 3.310 13.064 1.00 0.00 H new ATOM 1598 N SER A 79 0.697 7.792 14.007 1.00 0.00 N ATOM 1599 CA SER A 79 1.209 8.734 15.050 1.00 0.00 C ATOM 1600 C SER A 79 0.901 10.186 14.661 1.00 0.00 C ATOM 1601 O SER A 79 0.044 10.820 15.243 1.00 0.00 O ATOM 1602 CB SER A 79 2.728 8.494 15.121 1.00 0.00 C ATOM 1603 OG SER A 79 3.117 7.509 14.161 1.00 0.00 O ATOM 0 H SER A 79 1.346 7.600 13.244 1.00 0.00 H new ATOM 0 HA SER A 79 0.735 8.562 16.016 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.260 9.426 14.932 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.005 8.166 16.123 1.00 0.00 H new ATOM 0 HG SER A 79 3.719 7.914 13.502 1.00 0.00 H new ATOM 1609 N GLY A 80 1.593 10.716 13.686 1.00 0.00 N ATOM 1610 CA GLY A 80 1.341 12.128 13.260 1.00 0.00 C ATOM 1611 C GLY A 80 2.410 12.574 12.255 1.00 0.00 C ATOM 1612 O GLY A 80 3.477 11.987 12.243 1.00 0.00 O ATOM 1613 OXT GLY A 80 2.141 13.496 11.511 1.00 0.00 O ATOM 0 H GLY A 80 2.324 10.232 13.164 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.351 12.209 12.810 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.351 12.786 14.129 1.00 0.00 H new TER 1617 GLY A 80