USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 956 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 82 HIS : +bothHN:sc= -1.09 K(o=-1.3,f=-9.9!) USER MOD Set 1.2: A 89 TYR OH : rot -130:sc= -0.0807 USER MOD Set 1.3: A 102 MET CE :methyl 159:sc= -0.156 (180deg=-0.719) USER MOD Set 2.1: A 71 THR OG1 : rot 100:sc= 1.32 USER MOD Set 2.2: A 111 ASN : amide:sc= -0.189 K(o=1.1,f=0.25) USER MOD Set 3.1: A 29 ASN : amide:sc= 0.421 K(o=0.42,f=-0.19) USER MOD Set 3.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 14 THR OG1 : rot 88:sc= 0.967 USER MOD Set 4.2: A 95 MET CE :methyl 157:sc= -0.237 (180deg=-0.955) USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.0949 (180deg=0) USER MOD Single : A 2 MET CE :methyl -163:sc= -0.0912 (180deg=-0.523) USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 0.939 (180deg=0.645) USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= 1.31 (180deg=1.13) USER MOD Single : A 13 ASN :FLIP amide:sc= -5.02! C(o=-6.7!,f=-5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -1.79! C(o=-1.8!,f=-8!) USER MOD Single : A 27 SER OG : rot 3:sc= -2.8! USER MOD Single : A 31 ASN : amide:sc= 0.529 K(o=0.53,f=-6.6!) USER MOD Single : A 35 GLN : amide:sc= 1.03 K(o=1,f=-5.1!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0445 K(o=0.044,f=-11!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc=-0.00337 (180deg=-0.121) USER MOD Single : A 52 THR OG1 : rot -74:sc= -0.184 USER MOD Single : A 55 SER OG : rot -118:sc= 1.21 USER MOD Single : A 58 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.6!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.354 F(o=-1.4,f=-0.35) USER MOD Single : A 66 ASN : amide:sc= -0.155 K(o=-0.16,f=-5.2!) USER MOD Single : A 67 MET CE :methyl -164:sc= -0.0852 (180deg=-0.565) USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= -0.026 (180deg=-0.233) USER MOD Single : A 76 TYR OH : rot -65:sc= -0.726! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= 0.189 (180deg=0.00468!) USER MOD Single : A 92 SER OG : rot 158:sc= -1.69! USER MOD Single : A 99 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 0.121 (180deg=0.109) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 60:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.821 7.784 2.466 1.00 6.29 N ATOM 2 CA ALA A 1 19.610 7.965 3.920 1.00 5.64 C ATOM 3 C ALA A 1 20.774 7.374 4.699 1.00 5.66 C ATOM 4 O ALA A 1 21.555 6.587 4.161 1.00 5.80 O ATOM 5 CB ALA A 1 18.305 7.315 4.353 1.00 5.37 C ATOM 0 H1 ALA A 1 20.032 8.704 2.029 1.00 6.29 H new ATOM 0 H2 ALA A 1 20.618 7.135 2.309 1.00 6.29 H new ATOM 0 H3 ALA A 1 18.961 7.386 2.037 1.00 6.29 H new ATOM 0 HA ALA A 1 19.553 9.033 4.131 1.00 5.64 H new ATOM 0 HB1 ALA A 1 18.166 7.457 5.425 1.00 5.37 H new ATOM 0 HB2 ALA A 1 17.475 7.772 3.815 1.00 5.37 H new ATOM 0 HB3 ALA A 1 18.338 6.249 4.130 1.00 5.37 H new ATOM 13 N MET A 2 20.892 7.760 5.962 1.00 5.85 N ATOM 14 CA MET A 2 21.944 7.241 6.826 1.00 6.17 C ATOM 15 C MET A 2 21.564 5.860 7.341 1.00 5.91 C ATOM 16 O MET A 2 20.944 5.722 8.398 1.00 6.19 O ATOM 17 CB MET A 2 22.199 8.190 7.997 1.00 6.73 C ATOM 18 CG MET A 2 22.706 9.560 7.578 1.00 7.38 C ATOM 19 SD MET A 2 24.252 9.481 6.650 1.00 8.14 S ATOM 20 CE MET A 2 25.332 8.701 7.851 1.00 8.79 C ATOM 0 H MET A 2 20.271 8.432 6.412 1.00 5.85 H new ATOM 0 HA MET A 2 22.862 7.162 6.243 1.00 6.17 H new ATOM 0 HB2 MET A 2 21.274 8.312 8.561 1.00 6.73 H new ATOM 0 HB3 MET A 2 22.925 7.734 8.670 1.00 6.73 H new ATOM 0 HG2 MET A 2 21.947 10.052 6.970 1.00 7.38 H new ATOM 0 HG3 MET A 2 22.852 10.175 8.466 1.00 7.38 H new ATOM 0 HE1 MET A 2 26.371 8.852 7.558 1.00 8.79 H new ATOM 0 HE2 MET A 2 25.164 9.143 8.833 1.00 8.79 H new ATOM 0 HE3 MET A 2 25.119 7.633 7.893 1.00 8.79 H new ATOM 30 N GLY A 3 21.928 4.843 6.581 1.00 5.74 N ATOM 31 CA GLY A 3 21.543 3.492 6.916 1.00 5.81 C ATOM 32 C GLY A 3 20.397 3.031 6.073 1.00 5.28 C ATOM 33 O GLY A 3 20.135 3.593 5.006 1.00 5.54 O ATOM 0 H GLY A 3 22.487 4.930 5.732 1.00 5.74 H new ATOM 0 HA2 GLY A 3 22.393 2.824 6.776 1.00 5.81 H new ATOM 0 HA3 GLY A 3 21.267 3.440 7.969 1.00 5.81 H new ATOM 37 N CYS A 4 19.699 2.021 6.541 1.00 4.84 N ATOM 38 CA CYS A 4 18.552 1.540 5.825 1.00 4.49 C ATOM 39 C CYS A 4 17.412 1.204 6.770 1.00 4.00 C ATOM 40 O CYS A 4 17.374 0.130 7.369 1.00 4.30 O ATOM 41 CB CYS A 4 18.913 0.335 4.962 1.00 4.71 C ATOM 42 SG CYS A 4 18.471 0.533 3.203 1.00 5.14 S ATOM 0 H CYS A 4 19.907 1.524 7.407 1.00 4.84 H new ATOM 0 HA CYS A 4 18.214 2.341 5.167 1.00 4.49 H new ATOM 0 HB2 CYS A 4 19.985 0.152 5.040 1.00 4.71 H new ATOM 0 HB3 CYS A 4 18.409 -0.547 5.357 1.00 4.71 H new ATOM 47 N LYS A 5 16.502 2.156 6.912 1.00 3.56 N ATOM 48 CA LYS A 5 15.266 1.955 7.645 1.00 3.21 C ATOM 49 C LYS A 5 14.495 0.748 7.121 1.00 2.60 C ATOM 50 O LYS A 5 14.492 0.477 5.923 1.00 2.48 O ATOM 51 CB LYS A 5 14.412 3.197 7.514 1.00 3.31 C ATOM 52 CG LYS A 5 12.945 2.975 7.829 1.00 3.91 C ATOM 53 CD LYS A 5 12.166 4.274 7.912 1.00 4.47 C ATOM 54 CE LYS A 5 10.725 4.013 8.321 1.00 5.34 C ATOM 55 NZ LYS A 5 10.640 3.360 9.654 1.00 5.99 N ATOM 0 H LYS A 5 16.603 3.092 6.520 1.00 3.56 H new ATOM 0 HA LYS A 5 15.510 1.767 8.691 1.00 3.21 H new ATOM 0 HB2 LYS A 5 14.803 3.966 8.180 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.500 3.580 6.497 1.00 3.31 H new ATOM 0 HG2 LYS A 5 12.504 2.339 7.061 1.00 3.91 H new ATOM 0 HG3 LYS A 5 12.857 2.441 8.775 1.00 3.91 H new ATOM 0 HD2 LYS A 5 12.638 4.941 8.633 1.00 4.47 H new ATOM 0 HD3 LYS A 5 12.189 4.780 6.947 1.00 4.47 H new ATOM 0 HE2 LYS A 5 10.177 4.955 8.342 1.00 5.34 H new ATOM 0 HE3 LYS A 5 10.244 3.380 7.575 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 9.646 3.321 9.959 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 11.022 2.394 9.593 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 11.193 3.907 10.345 1.00 5.99 H new ATOM 69 N GLU A 6 13.849 0.011 8.004 1.00 2.54 N ATOM 70 CA GLU A 6 12.914 -0.980 7.578 1.00 2.10 C ATOM 71 C GLU A 6 11.650 -0.276 7.090 1.00 1.84 C ATOM 72 O GLU A 6 10.907 0.324 7.874 1.00 2.27 O ATOM 73 CB GLU A 6 12.653 -1.960 8.714 1.00 2.49 C ATOM 74 CG GLU A 6 11.420 -2.796 8.517 1.00 2.96 C ATOM 75 CD GLU A 6 11.394 -4.022 9.407 1.00 3.57 C ATOM 76 OE1 GLU A 6 11.506 -5.150 8.881 1.00 4.01 O ATOM 77 OE2 GLU A 6 11.271 -3.865 10.637 1.00 3.94 O ATOM 0 H GLU A 6 13.962 0.089 9.015 1.00 2.54 H new ATOM 0 HA GLU A 6 13.308 -1.566 6.748 1.00 2.10 H new ATOM 0 HB2 GLU A 6 13.515 -2.619 8.820 1.00 2.49 H new ATOM 0 HB3 GLU A 6 12.560 -1.405 9.647 1.00 2.49 H new ATOM 0 HG2 GLU A 6 10.538 -2.188 8.718 1.00 2.96 H new ATOM 0 HG3 GLU A 6 11.361 -3.108 7.474 1.00 2.96 H new ATOM 84 N ILE A 7 11.437 -0.335 5.780 1.00 1.34 N ATOM 85 CA ILE A 7 10.429 0.478 5.112 1.00 1.10 C ATOM 86 C ILE A 7 9.042 -0.099 5.357 1.00 0.99 C ATOM 87 O ILE A 7 8.877 -1.310 5.463 1.00 1.30 O ATOM 88 CB ILE A 7 10.724 0.555 3.593 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.061 1.202 3.308 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.676 1.306 2.837 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.457 2.243 4.304 1.00 2.00 C ATOM 0 H ILE A 7 11.958 -0.947 5.152 1.00 1.34 H new ATOM 0 HA ILE A 7 10.462 1.487 5.523 1.00 1.10 H new ATOM 0 HB ILE A 7 10.733 -0.482 3.256 1.00 1.29 H new ATOM 0 HG12 ILE A 7 12.829 0.429 3.281 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.030 1.655 2.317 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.936 1.327 1.779 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.712 0.813 2.964 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.615 2.326 3.216 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.426 2.659 4.030 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.711 3.038 4.316 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.523 1.793 5.294 1.00 2.00 H new ATOM 103 N GLU A 8 8.038 0.762 5.458 1.00 0.87 N ATOM 104 CA GLU A 8 6.745 0.306 5.951 1.00 0.93 C ATOM 105 C GLU A 8 5.572 0.789 5.120 1.00 0.86 C ATOM 106 O GLU A 8 5.481 1.958 4.759 1.00 1.29 O ATOM 107 CB GLU A 8 6.568 0.693 7.413 1.00 1.41 C ATOM 108 CG GLU A 8 7.546 1.741 7.884 1.00 1.71 C ATOM 109 CD GLU A 8 7.359 2.107 9.342 1.00 2.31 C ATOM 110 OE1 GLU A 8 6.214 2.400 9.742 1.00 2.70 O ATOM 111 OE2 GLU A 8 8.355 2.107 10.095 1.00 2.71 O ATOM 0 H GLU A 8 8.089 1.751 5.213 1.00 0.87 H new ATOM 0 HA GLU A 8 6.748 -0.780 5.860 1.00 0.93 H new ATOM 0 HB2 GLU A 8 5.553 1.062 7.562 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.677 -0.198 8.032 1.00 1.41 H new ATOM 0 HG2 GLU A 8 8.562 1.377 7.733 1.00 1.71 H new ATOM 0 HG3 GLU A 8 7.434 2.636 7.272 1.00 1.71 H new ATOM 118 N ILE A 9 4.652 -0.134 4.888 1.00 0.65 N ATOM 119 CA ILE A 9 3.541 0.055 3.963 1.00 0.68 C ATOM 120 C ILE A 9 2.300 0.535 4.699 1.00 0.53 C ATOM 121 O ILE A 9 1.816 -0.152 5.593 1.00 0.68 O ATOM 122 CB ILE A 9 3.150 -1.251 3.210 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.022 -2.454 3.553 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.197 -1.027 1.724 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.322 -2.424 2.842 1.00 1.21 C ATOM 0 H ILE A 9 4.654 -1.048 5.342 1.00 0.65 H new ATOM 0 HA ILE A 9 3.887 0.796 3.242 1.00 0.68 H new ATOM 0 HB ILE A 9 2.139 -1.486 3.541 1.00 0.91 H new ATOM 0 HG12 ILE A 9 4.198 -2.478 4.628 1.00 0.93 H new ATOM 0 HG13 ILE A 9 3.491 -3.371 3.297 1.00 0.93 H new ATOM 0 HG21 ILE A 9 2.922 -1.947 1.208 1.00 1.34 H new ATOM 0 HG22 ILE A 9 2.498 -0.236 1.453 1.00 1.34 H new ATOM 0 HG23 ILE A 9 4.206 -0.735 1.432 1.00 1.34 H new ATOM 0 HD11 ILE A 9 5.908 -3.301 3.118 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.148 -2.428 1.766 1.00 1.21 H new ATOM 0 HD13 ILE A 9 5.867 -1.521 3.118 1.00 1.21 H new ATOM 137 N VAL A 10 1.778 1.696 4.323 1.00 0.51 N ATOM 138 CA VAL A 10 0.540 2.190 4.918 1.00 0.46 C ATOM 139 C VAL A 10 -0.626 2.074 3.948 1.00 0.41 C ATOM 140 O VAL A 10 -0.567 2.545 2.807 1.00 0.44 O ATOM 141 CB VAL A 10 0.655 3.648 5.438 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.759 4.403 4.715 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.680 4.386 5.303 1.00 0.77 C ATOM 0 H VAL A 10 2.186 2.308 3.617 1.00 0.51 H new ATOM 0 HA VAL A 10 0.351 1.552 5.781 1.00 0.46 H new ATOM 0 HB VAL A 10 0.914 3.602 6.496 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.816 5.421 5.100 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.712 3.899 4.879 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.542 4.431 3.647 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.572 5.405 5.674 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.977 4.412 4.255 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.443 3.867 5.884 1.00 0.77 H new ATOM 153 N ILE A 11 -1.677 1.423 4.416 1.00 0.40 N ATOM 154 CA ILE A 11 -2.914 1.311 3.681 1.00 0.40 C ATOM 155 C ILE A 11 -4.017 2.035 4.429 1.00 0.44 C ATOM 156 O ILE A 11 -4.292 1.747 5.593 1.00 0.50 O ATOM 157 CB ILE A 11 -3.292 -0.170 3.452 1.00 0.47 C ATOM 158 CG1 ILE A 11 -2.327 -0.809 2.469 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.737 -0.334 2.996 1.00 0.53 C ATOM 160 CD1 ILE A 11 -2.070 0.042 1.271 1.00 0.59 C ATOM 0 H ILE A 11 -1.691 0.956 5.323 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.783 1.773 2.702 1.00 0.40 H new ATOM 0 HB ILE A 11 -3.210 -0.685 4.409 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -1.383 -1.011 2.974 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.728 -1.770 2.147 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.954 -1.392 2.849 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.406 0.072 3.755 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.885 0.201 2.058 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.373 -0.468 0.605 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -3.008 0.223 0.745 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.641 0.993 1.586 1.00 0.59 H new ATOM 172 N LYS A 12 -4.592 3.014 3.769 1.00 0.46 N ATOM 173 CA LYS A 12 -5.659 3.806 4.324 1.00 0.52 C ATOM 174 C LYS A 12 -6.936 3.560 3.524 1.00 0.50 C ATOM 175 O LYS A 12 -6.874 3.177 2.360 1.00 0.62 O ATOM 176 CB LYS A 12 -5.263 5.276 4.238 1.00 0.55 C ATOM 177 CG LYS A 12 -5.703 6.089 5.432 1.00 0.72 C ATOM 178 CD LYS A 12 -5.028 7.456 5.465 1.00 1.32 C ATOM 179 CE LYS A 12 -5.391 8.306 4.257 1.00 1.65 C ATOM 180 NZ LYS A 12 -4.544 9.523 4.167 1.00 2.08 N ATOM 0 H LYS A 12 -4.327 3.284 2.822 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.836 3.533 5.364 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -4.180 5.347 4.139 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.695 5.708 3.335 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -6.785 6.218 5.405 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -5.469 5.546 6.348 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -5.317 7.980 6.376 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -3.947 7.324 5.503 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -5.276 7.715 3.348 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -6.440 8.596 4.318 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -5.103 10.307 3.774 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -4.205 9.781 5.116 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -3.730 9.334 3.548 1.00 2.08 H new ATOM 194 N ASN A 13 -8.081 3.758 4.146 1.00 0.55 N ATOM 195 CA ASN A 13 -9.359 3.647 3.458 1.00 0.59 C ATOM 196 C ASN A 13 -10.355 4.571 4.120 1.00 0.58 C ATOM 197 O ASN A 13 -10.874 4.279 5.194 1.00 0.95 O ATOM 198 CB ASN A 13 -9.878 2.211 3.474 1.00 1.01 C ATOM 199 CG ASN A 13 -11.201 2.069 2.746 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.992 1.103 3.156 1.00 2.81 O flip ATOM 201 ND2 ASN A 13 -11.511 2.821 1.828 1.00 2.71 N flip ATOM 0 H ASN A 13 -8.156 3.999 5.134 1.00 0.55 H new ATOM 0 HA ASN A 13 -9.222 3.933 2.415 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -9.140 1.555 3.013 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.997 1.881 4.506 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -10.872 3.560 1.536 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -12.408 2.707 1.356 1.00 2.71 H new ATOM 208 N THR A 14 -10.613 5.694 3.486 1.00 0.47 N ATOM 209 CA THR A 14 -11.343 6.757 4.139 1.00 0.74 C ATOM 210 C THR A 14 -12.261 7.497 3.178 1.00 0.54 C ATOM 211 O THR A 14 -11.883 8.450 2.510 1.00 0.70 O ATOM 212 CB THR A 14 -10.378 7.710 4.876 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.810 9.075 4.828 1.00 1.79 O ATOM 214 CG2 THR A 14 -8.999 7.571 4.299 1.00 1.78 C ATOM 0 H THR A 14 -10.330 5.893 2.526 1.00 0.47 H new ATOM 0 HA THR A 14 -11.993 6.302 4.887 1.00 0.74 H new ATOM 0 HB THR A 14 -10.368 7.425 5.928 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.405 9.257 5.585 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.317 8.244 4.819 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.656 6.543 4.419 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.021 7.825 3.239 1.00 1.78 H new ATOM 222 N LEU A 15 -13.451 6.961 3.036 1.00 0.49 N ATOM 223 CA LEU A 15 -14.535 7.651 2.389 1.00 0.68 C ATOM 224 C LEU A 15 -15.282 8.407 3.469 1.00 0.84 C ATOM 225 O LEU A 15 -15.839 9.483 3.262 1.00 1.18 O ATOM 226 CB LEU A 15 -15.490 6.660 1.717 1.00 0.88 C ATOM 227 CG LEU A 15 -14.909 5.757 0.627 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.578 5.186 1.020 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.895 4.659 0.268 1.00 1.39 C ATOM 0 H LEU A 15 -13.692 6.028 3.369 1.00 0.49 H new ATOM 0 HA LEU A 15 -14.149 8.319 1.619 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.915 6.023 2.492 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.314 7.227 1.283 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.739 6.372 -0.257 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -13.203 4.552 0.217 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.873 5.997 1.201 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.690 4.594 1.928 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -15.467 4.025 -0.509 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -16.107 4.057 1.152 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.820 5.106 -0.097 1.00 1.39 H new ATOM 241 N GLY A 16 -15.264 7.786 4.634 1.00 0.72 N ATOM 242 CA GLY A 16 -15.872 8.320 5.823 1.00 0.87 C ATOM 243 C GLY A 16 -16.086 7.212 6.828 1.00 0.77 C ATOM 244 O GLY A 16 -15.571 6.114 6.622 1.00 1.27 O ATOM 0 H GLY A 16 -14.816 6.880 4.775 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.236 9.095 6.252 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.824 8.789 5.577 1.00 0.87 H new ATOM 248 N PRO A 17 -16.838 7.456 7.910 1.00 0.67 N ATOM 249 CA PRO A 17 -17.023 6.480 8.998 1.00 0.76 C ATOM 250 C PRO A 17 -17.314 5.059 8.501 1.00 0.88 C ATOM 251 O PRO A 17 -18.219 4.844 7.689 1.00 1.27 O ATOM 252 CB PRO A 17 -18.223 7.044 9.758 1.00 1.02 C ATOM 253 CG PRO A 17 -18.129 8.515 9.555 1.00 1.42 C ATOM 254 CD PRO A 17 -17.576 8.708 8.168 1.00 1.13 C ATOM 0 HA PRO A 17 -16.120 6.369 9.599 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.161 6.648 9.370 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -18.181 6.785 10.816 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.107 8.986 9.654 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -17.479 8.971 10.301 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -18.370 8.863 7.438 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -16.921 9.578 8.115 1.00 1.13 H new ATOM 262 N SER A 18 -16.513 4.105 8.984 1.00 1.06 N ATOM 263 CA SER A 18 -16.658 2.687 8.646 1.00 1.31 C ATOM 264 C SER A 18 -16.382 2.416 7.162 1.00 1.10 C ATOM 265 O SER A 18 -17.276 2.033 6.409 1.00 1.50 O ATOM 266 CB SER A 18 -18.054 2.181 9.032 1.00 1.75 C ATOM 267 OG SER A 18 -18.300 2.371 10.417 1.00 2.18 O ATOM 0 H SER A 18 -15.742 4.296 9.624 1.00 1.06 H new ATOM 0 HA SER A 18 -15.911 2.140 9.221 1.00 1.31 H new ATOM 0 HB2 SER A 18 -18.810 2.708 8.449 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.142 1.123 8.785 1.00 1.75 H new ATOM 0 HG SER A 18 -19.196 2.042 10.638 1.00 2.18 H new ATOM 273 N ARG A 19 -15.140 2.629 6.751 1.00 0.81 N ATOM 274 CA ARG A 19 -14.679 2.221 5.428 1.00 0.66 C ATOM 275 C ARG A 19 -13.585 1.188 5.602 1.00 0.64 C ATOM 276 O ARG A 19 -12.494 1.510 6.063 1.00 1.02 O ATOM 277 CB ARG A 19 -14.159 3.411 4.599 1.00 0.68 C ATOM 278 CG ARG A 19 -15.167 3.984 3.633 1.00 1.15 C ATOM 279 CD ARG A 19 -16.470 4.324 4.333 1.00 1.94 C ATOM 280 NE ARG A 19 -17.493 4.818 3.413 1.00 2.51 N ATOM 281 CZ ARG A 19 -18.666 5.320 3.799 1.00 3.32 C ATOM 282 NH1 ARG A 19 -18.967 5.405 5.089 1.00 3.76 N ATOM 283 NH2 ARG A 19 -19.539 5.737 2.892 1.00 3.99 N ATOM 0 H ARG A 19 -14.427 3.086 7.319 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.523 1.801 4.880 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -13.837 4.199 5.279 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.279 3.092 4.041 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.758 4.880 3.166 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.357 3.267 2.834 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -16.845 3.437 4.844 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -16.281 5.077 5.098 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.297 4.776 2.413 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -18.299 5.085 5.791 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -19.866 5.790 5.379 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.313 5.674 1.899 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -20.437 6.121 3.187 1.00 3.99 H new ATOM 297 N ILE A 20 -13.878 -0.054 5.244 1.00 0.52 N ATOM 298 CA ILE A 20 -12.964 -1.152 5.528 1.00 0.51 C ATOM 299 C ILE A 20 -12.582 -1.911 4.259 1.00 0.54 C ATOM 300 O ILE A 20 -13.437 -2.495 3.592 1.00 0.76 O ATOM 301 CB ILE A 20 -13.579 -2.159 6.523 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.421 -1.465 7.573 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.496 -2.944 7.206 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.629 -0.606 8.504 1.00 0.83 C ATOM 0 H ILE A 20 -14.734 -0.326 4.760 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.074 -0.698 5.965 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.220 -2.828 5.950 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -15.172 -0.851 7.076 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -14.956 -2.217 8.153 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -12.944 -3.650 7.905 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -11.917 -3.489 6.461 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.840 -2.263 7.749 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.298 -0.141 9.228 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -12.895 -1.218 9.028 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.115 0.169 7.935 1.00 0.83 H new ATOM 316 N LEU A 21 -11.298 -1.893 3.932 1.00 0.50 N ATOM 317 CA LEU A 21 -10.763 -2.702 2.839 1.00 0.55 C ATOM 318 C LEU A 21 -9.684 -3.614 3.392 1.00 0.52 C ATOM 319 O LEU A 21 -8.888 -3.198 4.232 1.00 0.75 O ATOM 320 CB LEU A 21 -10.191 -1.832 1.702 1.00 0.72 C ATOM 321 CG LEU A 21 -11.104 -1.630 0.484 1.00 1.39 C ATOM 322 CD1 LEU A 21 -11.336 -2.949 -0.232 1.00 2.23 C ATOM 323 CD2 LEU A 21 -12.430 -1.008 0.886 1.00 2.20 C ATOM 0 H LEU A 21 -10.600 -1.323 4.410 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.577 -3.289 2.413 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.942 -0.853 2.111 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -9.258 -2.282 1.361 1.00 0.72 H new ATOM 0 HG LEU A 21 -10.603 -0.943 -0.198 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.985 -2.787 -1.092 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -10.381 -3.353 -0.569 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -11.808 -3.655 0.451 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -13.054 -0.878 0.002 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -12.938 -1.661 1.596 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -12.251 -0.038 1.350 1.00 2.20 H new ATOM 335 N GLN A 22 -9.672 -4.860 2.957 1.00 0.47 N ATOM 336 CA GLN A 22 -8.679 -5.793 3.413 1.00 0.47 C ATOM 337 C GLN A 22 -7.603 -5.950 2.354 1.00 0.42 C ATOM 338 O GLN A 22 -7.832 -6.531 1.300 1.00 0.51 O ATOM 339 CB GLN A 22 -9.322 -7.133 3.739 1.00 0.60 C ATOM 340 CG GLN A 22 -8.314 -8.176 4.147 1.00 0.71 C ATOM 341 CD GLN A 22 -8.950 -9.499 4.501 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.303 -9.741 5.657 1.00 1.69 O ATOM 343 NE2 GLN A 22 -9.097 -10.366 3.515 1.00 1.34 N ATOM 0 H GLN A 22 -10.341 -5.242 2.289 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.218 -5.412 4.324 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.046 -6.998 4.543 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -9.874 -7.488 2.869 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.604 -8.326 3.334 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -7.746 -7.811 5.003 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -8.790 -10.124 2.573 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -9.517 -11.278 3.696 1.00 1.34 H new ATOM 352 N TYR A 23 -6.436 -5.422 2.648 1.00 0.42 N ATOM 353 CA TYR A 23 -5.351 -5.391 1.694 1.00 0.42 C ATOM 354 C TYR A 23 -4.332 -6.466 2.021 1.00 0.41 C ATOM 355 O TYR A 23 -4.207 -6.899 3.169 1.00 0.49 O ATOM 356 CB TYR A 23 -4.650 -4.037 1.721 1.00 0.52 C ATOM 357 CG TYR A 23 -3.904 -3.827 3.008 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.569 -3.532 4.182 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.533 -3.963 3.045 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.883 -3.380 5.368 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.833 -3.805 4.221 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.512 -3.516 5.382 1.00 0.63 C ATOM 363 OH TYR A 23 -1.816 -3.374 6.561 1.00 0.74 O ATOM 0 H TYR A 23 -6.213 -5.004 3.551 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.773 -5.566 0.704 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -3.957 -3.969 0.883 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.386 -3.243 1.592 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.643 -3.419 4.171 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -1.998 -4.197 2.136 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.417 -3.156 6.280 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.758 -3.907 4.231 1.00 0.63 H new ATOM 0 HH TYR A 23 -0.859 -3.502 6.393 1.00 0.74 H new ATOM 373 N HIS A 24 -3.614 -6.898 1.012 1.00 0.50 N ATOM 374 CA HIS A 24 -2.433 -7.698 1.219 1.00 0.57 C ATOM 375 C HIS A 24 -1.226 -6.957 0.681 1.00 0.60 C ATOM 376 O HIS A 24 -0.957 -7.001 -0.511 1.00 0.58 O ATOM 377 CB HIS A 24 -2.553 -9.059 0.527 1.00 0.61 C ATOM 378 CG HIS A 24 -1.326 -9.900 0.688 1.00 0.71 C ATOM 379 ND1 HIS A 24 -0.369 -9.645 1.647 1.00 0.75 N ATOM 380 CD2 HIS A 24 -0.898 -10.992 0.015 1.00 0.85 C ATOM 381 CE1 HIS A 24 0.588 -10.542 1.558 1.00 0.88 C ATOM 382 NE2 HIS A 24 0.295 -11.373 0.576 1.00 0.94 N ATOM 0 H HIS A 24 -3.830 -6.707 0.034 1.00 0.50 H new ATOM 0 HA HIS A 24 -2.319 -7.873 2.289 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -3.411 -9.594 0.934 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -2.747 -8.906 -0.535 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -0.399 -8.880 2.321 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -1.401 -11.474 -0.810 1.00 0.85 H new ATOM 0 HE1 HIS A 24 1.467 -10.591 2.184 1.00 0.88 H new ATOM 391 N CYS A 25 -0.498 -6.291 1.556 1.00 0.71 N ATOM 392 CA CYS A 25 0.707 -5.599 1.142 1.00 0.74 C ATOM 393 C CYS A 25 1.947 -6.363 1.555 1.00 0.91 C ATOM 394 O CYS A 25 1.949 -7.083 2.554 1.00 1.01 O ATOM 395 CB CYS A 25 0.791 -4.190 1.731 1.00 0.79 C ATOM 396 SG CYS A 25 -0.362 -2.988 1.015 1.00 1.12 S ATOM 0 H CYS A 25 -0.717 -6.214 2.549 1.00 0.71 H new ATOM 0 HA CYS A 25 0.658 -5.529 0.055 1.00 0.74 H new ATOM 0 HB2 CYS A 25 0.609 -4.250 2.804 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.807 -3.818 1.600 1.00 0.79 H new ATOM 401 N ARG A 26 2.982 -6.234 0.750 1.00 1.14 N ATOM 402 CA ARG A 26 4.303 -6.702 1.106 1.00 1.38 C ATOM 403 C ARG A 26 5.327 -5.814 0.397 1.00 1.87 C ATOM 404 O ARG A 26 5.029 -5.284 -0.664 1.00 2.24 O ATOM 405 CB ARG A 26 4.440 -8.179 0.705 1.00 1.45 C ATOM 406 CG ARG A 26 3.537 -8.567 -0.461 1.00 2.13 C ATOM 407 CD ARG A 26 3.837 -9.958 -0.985 1.00 2.66 C ATOM 408 NE ARG A 26 3.093 -10.236 -2.214 1.00 3.26 N ATOM 409 CZ ARG A 26 3.366 -11.249 -3.036 1.00 4.00 C ATOM 410 NH1 ARG A 26 4.385 -12.062 -2.784 1.00 4.21 N ATOM 411 NH2 ARG A 26 2.629 -11.438 -4.125 1.00 4.86 N ATOM 0 H ARG A 26 2.929 -5.800 -0.172 1.00 1.14 H new ATOM 0 HA ARG A 26 4.475 -6.639 2.181 1.00 1.38 H new ATOM 0 HB2 ARG A 26 5.477 -8.382 0.437 1.00 1.45 H new ATOM 0 HB3 ARG A 26 4.204 -8.806 1.564 1.00 1.45 H new ATOM 0 HG2 ARG A 26 2.496 -8.518 -0.143 1.00 2.13 H new ATOM 0 HG3 ARG A 26 3.658 -7.844 -1.267 1.00 2.13 H new ATOM 0 HD2 ARG A 26 4.906 -10.054 -1.175 1.00 2.66 H new ATOM 0 HD3 ARG A 26 3.580 -10.698 -0.227 1.00 2.66 H new ATOM 0 HE ARG A 26 2.319 -9.617 -2.456 1.00 3.26 H new ATOM 0 HH11 ARG A 26 4.964 -11.913 -1.958 1.00 4.21 H new ATOM 0 HH12 ARG A 26 4.589 -12.836 -3.417 1.00 4.21 H new ATOM 0 HH21 ARG A 26 1.854 -10.808 -4.332 1.00 4.86 H new ATOM 0 HH22 ARG A 26 2.838 -12.213 -4.754 1.00 4.86 H new ATOM 425 N SER A 27 6.510 -5.614 0.973 1.00 2.10 N ATOM 426 CA SER A 27 7.558 -4.845 0.293 1.00 2.66 C ATOM 427 C SER A 27 8.958 -5.290 0.708 1.00 2.39 C ATOM 428 O SER A 27 9.123 -6.085 1.629 1.00 2.70 O ATOM 429 CB SER A 27 7.392 -3.349 0.527 1.00 3.73 C ATOM 430 OG SER A 27 6.207 -2.878 -0.087 1.00 4.43 O ATOM 0 H SER A 27 6.768 -5.966 1.895 1.00 2.10 H new ATOM 0 HA SER A 27 7.446 -5.044 -0.773 1.00 2.66 H new ATOM 0 HB2 SER A 27 7.360 -3.144 1.597 1.00 3.73 H new ATOM 0 HB3 SER A 27 8.253 -2.815 0.126 1.00 3.73 H new ATOM 0 HG SER A 27 5.726 -3.631 -0.490 1.00 4.43 H new ATOM 436 N GLY A 28 9.950 -4.812 -0.032 1.00 2.45 N ATOM 437 CA GLY A 28 11.339 -5.096 0.265 1.00 2.54 C ATOM 438 C GLY A 28 11.762 -6.516 -0.063 1.00 2.68 C ATOM 439 O GLY A 28 12.505 -6.747 -1.021 1.00 3.22 O ATOM 0 H GLY A 28 9.811 -4.220 -0.851 1.00 2.45 H new ATOM 0 HA2 GLY A 28 11.968 -4.402 -0.293 1.00 2.54 H new ATOM 0 HA3 GLY A 28 11.519 -4.909 1.324 1.00 2.54 H new ATOM 443 N ASN A 29 11.266 -7.466 0.711 1.00 2.60 N ATOM 444 CA ASN A 29 11.754 -8.848 0.634 1.00 2.96 C ATOM 445 C ASN A 29 10.852 -9.819 1.402 1.00 2.76 C ATOM 446 O ASN A 29 10.801 -11.008 1.091 1.00 3.04 O ATOM 447 CB ASN A 29 13.182 -8.944 1.198 1.00 3.49 C ATOM 448 CG ASN A 29 13.215 -9.100 2.713 1.00 4.17 C ATOM 449 OD1 ASN A 29 13.213 -10.217 3.231 1.00 4.66 O ATOM 450 ND2 ASN A 29 13.245 -7.988 3.434 1.00 4.63 N ATOM 0 H ASN A 29 10.529 -7.315 1.400 1.00 2.60 H new ATOM 0 HA ASN A 29 11.746 -9.129 -0.419 1.00 2.96 H new ATOM 0 HB2 ASN A 29 13.691 -9.792 0.740 1.00 3.49 H new ATOM 0 HB3 ASN A 29 13.738 -8.049 0.918 1.00 3.49 H new ATOM 0 HD21 ASN A 29 13.267 -8.041 4.452 1.00 4.63 H new ATOM 0 HD22 ASN A 29 13.246 -7.079 2.970 1.00 4.63 H new ATOM 457 N THR A 30 10.145 -9.311 2.401 1.00 2.45 N ATOM 458 CA THR A 30 9.357 -10.156 3.287 1.00 2.33 C ATOM 459 C THR A 30 7.961 -10.390 2.698 1.00 2.07 C ATOM 460 O THR A 30 7.476 -9.577 1.917 1.00 2.10 O ATOM 461 CB THR A 30 9.256 -9.483 4.666 1.00 2.45 C ATOM 462 OG1 THR A 30 10.552 -9.022 5.071 1.00 2.93 O ATOM 463 CG2 THR A 30 8.702 -10.418 5.726 1.00 2.70 C ATOM 0 H THR A 30 10.101 -8.315 2.619 1.00 2.45 H new ATOM 0 HA THR A 30 9.844 -11.125 3.394 1.00 2.33 H new ATOM 0 HB THR A 30 8.565 -8.646 4.570 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.486 -8.592 5.949 1.00 2.93 H new ATOM 0 HG21 THR A 30 8.651 -9.895 6.681 1.00 2.70 H new ATOM 0 HG22 THR A 30 7.703 -10.745 5.437 1.00 2.70 H new ATOM 0 HG23 THR A 30 9.354 -11.286 5.822 1.00 2.70 H new ATOM 471 N ASN A 31 7.323 -11.501 3.050 1.00 1.97 N ATOM 472 CA ASN A 31 5.993 -11.806 2.527 1.00 1.75 C ATOM 473 C ASN A 31 5.035 -12.201 3.646 1.00 1.78 C ATOM 474 O ASN A 31 4.921 -13.379 3.982 1.00 2.34 O ATOM 475 CB ASN A 31 6.067 -12.934 1.489 1.00 2.09 C ATOM 476 CG ASN A 31 6.781 -12.517 0.217 1.00 2.43 C ATOM 477 OD1 ASN A 31 6.168 -11.971 -0.699 1.00 2.89 O ATOM 478 ND2 ASN A 31 8.074 -12.786 0.144 1.00 2.98 N ATOM 0 H ASN A 31 7.700 -12.201 3.689 1.00 1.97 H new ATOM 0 HA ASN A 31 5.613 -10.903 2.049 1.00 1.75 H new ATOM 0 HB2 ASN A 31 6.582 -13.790 1.925 1.00 2.09 H new ATOM 0 HB3 ASN A 31 5.057 -13.262 1.243 1.00 2.09 H new ATOM 0 HD21 ASN A 31 8.600 -12.539 -0.695 1.00 2.98 H new ATOM 0 HD22 ASN A 31 8.545 -13.240 0.926 1.00 2.98 H new ATOM 485 N VAL A 32 4.352 -11.210 4.226 1.00 1.39 N ATOM 486 CA VAL A 32 3.379 -11.448 5.284 1.00 1.52 C ATOM 487 C VAL A 32 2.633 -10.167 5.656 1.00 1.38 C ATOM 488 O VAL A 32 3.208 -9.238 6.221 1.00 2.10 O ATOM 489 CB VAL A 32 4.008 -12.078 6.522 1.00 2.13 C ATOM 490 CG1 VAL A 32 5.272 -11.373 6.770 1.00 2.68 C ATOM 491 CG2 VAL A 32 3.079 -12.021 7.728 1.00 2.64 C ATOM 0 H VAL A 32 4.460 -10.228 3.974 1.00 1.39 H new ATOM 0 HA VAL A 32 2.660 -12.163 4.884 1.00 1.52 H new ATOM 0 HB VAL A 32 4.192 -13.139 6.353 1.00 2.13 H new ATOM 0 HG11 VAL A 32 5.757 -11.794 7.651 1.00 2.68 H new ATOM 0 HG12 VAL A 32 5.927 -11.486 5.906 1.00 2.68 H new ATOM 0 HG13 VAL A 32 5.072 -10.315 6.937 1.00 2.68 H new ATOM 0 HG21 VAL A 32 3.568 -12.481 8.586 1.00 2.64 H new ATOM 0 HG22 VAL A 32 2.845 -10.982 7.958 1.00 2.64 H new ATOM 0 HG23 VAL A 32 2.158 -12.560 7.504 1.00 2.64 H new ATOM 501 N GLY A 33 1.362 -10.098 5.307 1.00 1.00 N ATOM 502 CA GLY A 33 0.569 -8.943 5.688 1.00 1.43 C ATOM 503 C GLY A 33 -0.747 -8.839 4.951 1.00 0.99 C ATOM 504 O GLY A 33 -0.822 -8.217 3.888 1.00 1.13 O ATOM 0 H GLY A 33 0.865 -10.810 4.772 1.00 1.00 H new ATOM 0 HA2 GLY A 33 0.373 -8.986 6.759 1.00 1.43 H new ATOM 0 HA3 GLY A 33 1.150 -8.039 5.506 1.00 1.43 H new ATOM 508 N VAL A 34 -1.787 -9.454 5.499 1.00 0.80 N ATOM 509 CA VAL A 34 -3.130 -9.321 4.948 1.00 0.56 C ATOM 510 C VAL A 34 -4.100 -8.865 6.038 1.00 0.63 C ATOM 511 O VAL A 34 -4.524 -9.668 6.873 1.00 1.03 O ATOM 512 CB VAL A 34 -3.659 -10.639 4.354 1.00 0.89 C ATOM 513 CG1 VAL A 34 -4.936 -10.380 3.563 1.00 1.17 C ATOM 514 CG2 VAL A 34 -2.604 -11.304 3.488 1.00 1.06 C ATOM 0 H VAL A 34 -1.727 -10.050 6.325 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.065 -8.584 4.147 1.00 0.56 H new ATOM 0 HB VAL A 34 -3.892 -11.322 5.171 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -5.303 -11.318 3.147 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -5.693 -9.955 4.223 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -4.727 -9.681 2.753 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -3.001 -12.233 3.080 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -2.330 -10.636 2.671 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -1.722 -11.520 4.091 1.00 1.06 H new ATOM 524 N GLN A 35 -4.455 -7.589 6.035 1.00 0.63 N ATOM 525 CA GLN A 35 -5.297 -7.032 7.088 1.00 0.85 C ATOM 526 C GLN A 35 -6.339 -6.078 6.538 1.00 0.70 C ATOM 527 O GLN A 35 -6.294 -5.692 5.376 1.00 0.82 O ATOM 528 CB GLN A 35 -4.443 -6.300 8.120 1.00 1.45 C ATOM 529 CG GLN A 35 -3.760 -7.232 9.095 1.00 2.06 C ATOM 530 CD GLN A 35 -2.956 -6.494 10.147 1.00 2.71 C ATOM 531 OE1 GLN A 35 -3.306 -5.385 10.544 1.00 3.16 O ATOM 532 NE2 GLN A 35 -1.868 -7.098 10.596 1.00 3.28 N ATOM 0 H GLN A 35 -4.175 -6.920 5.318 1.00 0.63 H new ATOM 0 HA GLN A 35 -5.814 -7.869 7.558 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -3.688 -5.708 7.603 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -5.071 -5.602 8.673 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -4.511 -7.851 9.586 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -3.101 -7.905 8.547 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -1.612 -8.019 10.240 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -1.285 -6.643 11.298 1.00 3.28 H new ATOM 541 N TYR A 36 -7.278 -5.709 7.393 1.00 0.78 N ATOM 542 CA TYR A 36 -8.299 -4.730 7.041 1.00 0.73 C ATOM 543 C TYR A 36 -8.113 -3.475 7.875 1.00 0.78 C ATOM 544 O TYR A 36 -7.592 -3.546 8.990 1.00 1.06 O ATOM 545 CB TYR A 36 -9.700 -5.284 7.222 1.00 0.94 C ATOM 546 CG TYR A 36 -9.988 -5.704 8.619 1.00 1.62 C ATOM 547 CD1 TYR A 36 -9.493 -6.888 9.092 1.00 2.09 C ATOM 548 CD2 TYR A 36 -10.755 -4.920 9.446 1.00 2.13 C ATOM 549 CE1 TYR A 36 -9.756 -7.303 10.380 1.00 3.04 C ATOM 550 CE2 TYR A 36 -11.031 -5.307 10.735 1.00 3.13 C ATOM 551 CZ TYR A 36 -10.531 -6.506 11.203 1.00 3.57 C ATOM 552 OH TYR A 36 -10.800 -6.906 12.492 1.00 4.60 O ATOM 0 H TYR A 36 -7.356 -6.074 8.342 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.183 -4.486 5.985 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -10.425 -4.528 6.920 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -9.835 -6.138 6.558 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -8.887 -7.507 8.447 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -11.148 -3.984 9.077 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -9.361 -8.241 10.743 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -11.633 -4.680 11.376 1.00 3.13 H new ATOM 0 HH TYR A 36 -11.356 -6.231 12.935 1.00 4.60 H new ATOM 562 N LEU A 37 -8.527 -2.335 7.349 1.00 0.72 N ATOM 563 CA LEU A 37 -8.315 -1.074 8.044 1.00 0.89 C ATOM 564 C LEU A 37 -9.536 -0.165 7.907 1.00 0.70 C ATOM 565 O LEU A 37 -10.301 -0.286 6.945 1.00 0.61 O ATOM 566 CB LEU A 37 -7.014 -0.409 7.535 1.00 1.23 C ATOM 567 CG LEU A 37 -7.037 0.346 6.191 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.730 -0.443 5.093 1.00 2.72 C ATOM 569 CD2 LEU A 37 -7.657 1.718 6.353 1.00 2.57 C ATOM 0 H LEU A 37 -9.007 -2.255 6.453 1.00 0.72 H new ATOM 0 HA LEU A 37 -8.192 -1.262 9.111 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.681 0.292 8.301 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -6.253 -1.186 7.463 1.00 1.23 H new ATOM 0 HG LEU A 37 -6.000 0.472 5.879 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -7.719 0.134 4.168 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.208 -1.387 4.939 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -8.761 -0.642 5.384 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -7.662 2.231 5.391 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -8.680 1.615 6.714 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -7.076 2.297 7.070 1.00 2.57 H new ATOM 581 N ASN A 38 -9.725 0.717 8.890 1.00 0.78 N ATOM 582 CA ASN A 38 -10.900 1.586 8.934 1.00 0.73 C ATOM 583 C ASN A 38 -10.575 3.008 8.479 1.00 0.68 C ATOM 584 O ASN A 38 -9.431 3.344 8.184 1.00 0.75 O ATOM 585 CB ASN A 38 -11.484 1.619 10.355 1.00 0.94 C ATOM 586 CG ASN A 38 -12.984 1.897 10.422 1.00 1.62 C ATOM 587 OD1 ASN A 38 -13.557 2.599 9.587 1.00 2.32 O ATOM 588 ND2 ASN A 38 -13.634 1.332 11.425 1.00 2.29 N ATOM 0 H ASN A 38 -9.078 0.848 9.667 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.636 1.172 8.244 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -11.284 0.663 10.838 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -10.961 2.382 10.931 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -14.639 1.472 11.524 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -13.130 0.756 12.100 1.00 2.29 H new ATOM 595 N PHE A 39 -11.596 3.834 8.497 1.00 0.68 N ATOM 596 CA PHE A 39 -11.524 5.227 8.053 1.00 0.72 C ATOM 597 C PHE A 39 -10.594 6.068 8.912 1.00 0.83 C ATOM 598 O PHE A 39 -9.957 7.014 8.440 1.00 1.66 O ATOM 599 CB PHE A 39 -12.936 5.816 8.048 1.00 0.85 C ATOM 600 CG PHE A 39 -13.014 7.311 8.234 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.734 8.175 7.189 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.381 7.847 9.459 1.00 1.43 C ATOM 603 CE1 PHE A 39 -12.816 9.544 7.362 1.00 1.80 C ATOM 604 CE2 PHE A 39 -13.464 9.214 9.637 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.180 10.063 8.587 1.00 2.03 C ATOM 0 H PHE A 39 -12.522 3.561 8.825 1.00 0.68 H new ATOM 0 HA PHE A 39 -11.105 5.242 7.047 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.415 5.559 7.103 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.514 5.338 8.839 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.448 7.775 6.227 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -13.605 7.187 10.284 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.595 10.207 6.538 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -13.751 9.618 10.597 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.243 11.132 8.724 1.00 2.03 H new ATOM 615 N LYS A 40 -10.505 5.697 10.157 1.00 0.86 N ATOM 616 CA LYS A 40 -9.816 6.511 11.148 1.00 0.97 C ATOM 617 C LYS A 40 -8.336 6.155 11.251 1.00 0.72 C ATOM 618 O LYS A 40 -7.521 6.977 11.673 1.00 1.17 O ATOM 619 CB LYS A 40 -10.488 6.356 12.512 1.00 1.52 C ATOM 620 CG LYS A 40 -9.923 7.277 13.585 1.00 2.18 C ATOM 621 CD LYS A 40 -10.628 7.095 14.922 1.00 2.89 C ATOM 622 CE LYS A 40 -10.442 5.691 15.473 1.00 3.36 C ATOM 623 NZ LYS A 40 -11.037 5.545 16.827 1.00 3.76 N ATOM 0 H LYS A 40 -10.900 4.831 10.523 1.00 0.86 H new ATOM 0 HA LYS A 40 -9.882 7.549 10.824 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -11.555 6.551 12.405 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -10.384 5.322 12.842 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -8.858 7.081 13.707 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -10.021 8.313 13.262 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -10.242 7.820 15.638 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -11.692 7.300 14.803 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -10.901 4.971 14.795 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -9.379 5.456 15.516 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -10.889 4.574 17.168 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -10.582 6.214 17.480 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -12.057 5.745 16.782 1.00 3.76 H new ATOM 637 N GLY A 41 -7.973 4.954 10.833 1.00 0.71 N ATOM 638 CA GLY A 41 -6.633 4.488 11.076 1.00 1.13 C ATOM 639 C GLY A 41 -6.000 3.832 9.874 1.00 0.94 C ATOM 640 O GLY A 41 -6.630 3.040 9.177 1.00 1.09 O ATOM 0 H GLY A 41 -8.578 4.301 10.335 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.015 5.329 11.389 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -6.647 3.778 11.903 1.00 1.13 H new ATOM 644 N THR A 42 -4.741 4.150 9.660 1.00 0.82 N ATOM 645 CA THR A 42 -3.938 3.514 8.630 1.00 0.68 C ATOM 646 C THR A 42 -3.524 2.126 9.093 1.00 0.65 C ATOM 647 O THR A 42 -3.620 1.803 10.280 1.00 0.75 O ATOM 648 CB THR A 42 -2.679 4.346 8.347 1.00 0.69 C ATOM 649 OG1 THR A 42 -2.155 4.881 9.571 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.988 5.472 7.386 1.00 0.71 C ATOM 0 H THR A 42 -4.241 4.859 10.196 1.00 0.82 H new ATOM 0 HA THR A 42 -4.531 3.440 7.718 1.00 0.68 H new ATOM 0 HB THR A 42 -1.933 3.694 7.892 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.351 5.408 9.380 1.00 0.81 H new ATOM 0 HG21 THR A 42 -2.083 6.049 7.199 1.00 0.71 H new ATOM 0 HG22 THR A 42 -3.355 5.058 6.447 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.749 6.121 7.819 1.00 0.71 H new ATOM 658 N ARG A 43 -3.070 1.310 8.169 1.00 0.58 N ATOM 659 CA ARG A 43 -2.667 -0.041 8.488 1.00 0.58 C ATOM 660 C ARG A 43 -1.295 -0.275 7.906 1.00 0.52 C ATOM 661 O ARG A 43 -1.119 -0.248 6.689 1.00 0.50 O ATOM 662 CB ARG A 43 -3.673 -1.037 7.937 1.00 0.67 C ATOM 663 CG ARG A 43 -3.845 -2.270 8.809 1.00 0.86 C ATOM 664 CD ARG A 43 -4.470 -1.907 10.147 1.00 1.27 C ATOM 665 NE ARG A 43 -4.578 -3.053 11.044 1.00 1.59 N ATOM 666 CZ ARG A 43 -5.334 -3.064 12.139 1.00 2.26 C ATOM 667 NH1 ARG A 43 -6.068 -2.003 12.450 1.00 2.74 N ATOM 668 NH2 ARG A 43 -5.359 -4.138 12.919 1.00 3.01 N ATOM 0 H ARG A 43 -2.970 1.560 7.185 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.632 -0.179 9.569 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -4.638 -0.543 7.826 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -3.357 -1.347 6.941 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -4.473 -2.998 8.296 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -2.876 -2.743 8.972 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -3.872 -1.131 10.625 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -5.462 -1.487 9.979 1.00 1.27 H new ATOM 0 HE ARG A 43 -4.044 -3.893 10.819 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -6.053 -1.179 11.850 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -6.647 -2.012 13.289 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -4.798 -4.956 12.679 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -5.939 -4.145 13.758 1.00 3.01 H new ATOM 682 N ILE A 44 -0.315 -0.453 8.773 1.00 0.52 N ATOM 683 CA ILE A 44 1.059 -0.418 8.335 1.00 0.51 C ATOM 684 C ILE A 44 1.795 -1.723 8.580 1.00 0.58 C ATOM 685 O ILE A 44 1.780 -2.284 9.677 1.00 0.66 O ATOM 686 CB ILE A 44 1.841 0.747 8.982 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.166 2.076 8.672 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.261 0.786 8.453 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.071 2.468 9.640 1.00 0.61 C ATOM 0 H ILE A 44 -0.446 -0.621 9.770 1.00 0.52 H new ATOM 0 HA ILE A 44 1.012 -0.260 7.258 1.00 0.51 H new ATOM 0 HB ILE A 44 1.855 0.586 10.060 1.00 0.53 H new ATOM 0 HG12 ILE A 44 1.923 2.860 8.664 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.745 2.029 7.668 1.00 0.56 H new ATOM 0 HG21 ILE A 44 3.800 1.612 8.918 1.00 0.59 H new ATOM 0 HG22 ILE A 44 3.763 -0.153 8.688 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.243 0.927 7.372 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.353 3.427 9.341 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.710 1.708 9.633 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.486 2.552 10.644 1.00 0.61 H new ATOM 701 N ILE A 45 2.427 -2.181 7.520 1.00 0.61 N ATOM 702 CA ILE A 45 3.351 -3.299 7.560 1.00 0.74 C ATOM 703 C ILE A 45 4.751 -2.754 7.543 1.00 0.77 C ATOM 704 O ILE A 45 4.955 -1.666 7.040 1.00 0.79 O ATOM 705 CB ILE A 45 3.180 -4.184 6.347 1.00 0.95 C ATOM 706 CG1 ILE A 45 1.884 -4.890 6.392 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.314 -5.177 6.162 1.00 1.62 C ATOM 708 CD1 ILE A 45 1.399 -5.120 5.010 1.00 1.20 C ATOM 0 H ILE A 45 2.312 -1.781 6.589 1.00 0.61 H new ATOM 0 HA ILE A 45 3.157 -3.884 8.459 1.00 0.74 H new ATOM 0 HB ILE A 45 3.202 -3.520 5.483 1.00 0.95 H new ATOM 0 HG12 ILE A 45 1.994 -5.841 6.913 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.156 -4.302 6.951 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.128 -5.780 5.273 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.254 -4.638 6.044 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.375 -5.826 7.035 1.00 1.62 H new ATOM 0 HD11 ILE A 45 0.442 -5.641 5.042 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.274 -4.163 4.504 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.124 -5.726 4.466 1.00 1.20 H new ATOM 720 N LYS A 46 5.716 -3.481 8.047 1.00 0.90 N ATOM 721 CA LYS A 46 7.082 -3.008 7.944 1.00 0.97 C ATOM 722 C LYS A 46 8.041 -4.100 7.487 1.00 1.10 C ATOM 723 O LYS A 46 8.204 -5.118 8.159 1.00 1.20 O ATOM 724 CB LYS A 46 7.563 -2.376 9.264 1.00 1.10 C ATOM 725 CG LYS A 46 6.770 -2.787 10.505 1.00 1.35 C ATOM 726 CD LYS A 46 6.994 -4.244 10.893 1.00 1.85 C ATOM 727 CE LYS A 46 8.424 -4.499 11.340 1.00 2.11 C ATOM 728 NZ LYS A 46 8.628 -5.909 11.764 1.00 2.65 N ATOM 0 H LYS A 46 5.594 -4.376 8.520 1.00 0.90 H new ATOM 0 HA LYS A 46 7.083 -2.234 7.176 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.609 -2.641 9.416 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.520 -1.291 9.167 1.00 1.10 H new ATOM 0 HG2 LYS A 46 7.052 -2.146 11.340 1.00 1.35 H new ATOM 0 HG3 LYS A 46 5.708 -2.623 10.323 1.00 1.35 H new ATOM 0 HD2 LYS A 46 6.309 -4.515 11.696 1.00 1.85 H new ATOM 0 HD3 LYS A 46 6.759 -4.886 10.044 1.00 1.85 H new ATOM 0 HE2 LYS A 46 9.107 -4.263 10.524 1.00 2.11 H new ATOM 0 HE3 LYS A 46 8.671 -3.832 12.166 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 9.616 -6.043 12.062 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 7.994 -6.128 12.559 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 8.417 -6.545 10.968 1.00 2.65 H new ATOM 742 N PHE A 47 8.691 -3.856 6.351 1.00 1.20 N ATOM 743 CA PHE A 47 9.655 -4.806 5.757 1.00 1.41 C ATOM 744 C PHE A 47 10.879 -4.034 5.274 1.00 1.59 C ATOM 745 O PHE A 47 10.749 -3.088 4.499 1.00 1.68 O ATOM 746 CB PHE A 47 9.079 -5.579 4.543 1.00 1.50 C ATOM 747 CG PHE A 47 7.949 -6.545 4.814 1.00 1.87 C ATOM 748 CD1 PHE A 47 7.617 -6.866 6.123 1.00 2.53 C ATOM 749 CD2 PHE A 47 7.238 -7.149 3.791 1.00 2.17 C ATOM 750 CE1 PHE A 47 6.611 -7.770 6.396 1.00 3.14 C ATOM 751 CE2 PHE A 47 6.226 -8.043 4.061 1.00 2.69 C ATOM 752 CZ PHE A 47 5.828 -8.284 5.255 1.00 3.10 C ATOM 0 H PHE A 47 8.571 -2.999 5.811 1.00 1.20 H new ATOM 0 HA PHE A 47 9.902 -5.530 6.534 1.00 1.41 H new ATOM 0 HB2 PHE A 47 8.732 -4.849 3.811 1.00 1.50 H new ATOM 0 HB3 PHE A 47 9.894 -6.134 4.078 1.00 1.50 H new ATOM 0 HD1 PHE A 47 8.153 -6.402 6.938 1.00 2.53 H new ATOM 0 HD2 PHE A 47 7.481 -6.915 2.765 1.00 2.17 H new ATOM 0 HE1 PHE A 47 6.404 -8.090 7.407 1.00 3.14 H new ATOM 0 HE2 PHE A 47 5.752 -8.558 3.239 1.00 2.69 H new ATOM 0 HZ PHE A 47 4.929 -8.857 5.425 1.00 3.10 H new ATOM 762 N LYS A 48 12.064 -4.428 5.718 1.00 1.83 N ATOM 763 CA LYS A 48 13.278 -3.737 5.305 1.00 2.13 C ATOM 764 C LYS A 48 13.549 -3.962 3.817 1.00 2.50 C ATOM 765 O LYS A 48 13.539 -5.097 3.325 1.00 3.01 O ATOM 766 CB LYS A 48 14.477 -4.163 6.163 1.00 2.46 C ATOM 767 CG LYS A 48 14.766 -5.654 6.144 1.00 3.10 C ATOM 768 CD LYS A 48 15.862 -6.028 7.129 1.00 3.81 C ATOM 769 CE LYS A 48 17.195 -5.387 6.771 1.00 4.36 C ATOM 770 NZ LYS A 48 17.719 -5.875 5.469 1.00 4.90 N ATOM 0 H LYS A 48 12.211 -5.211 6.355 1.00 1.83 H new ATOM 0 HA LYS A 48 13.129 -2.668 5.460 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.363 -3.630 5.818 1.00 2.46 H new ATOM 0 HB3 LYS A 48 14.299 -3.853 7.193 1.00 2.46 H new ATOM 0 HG2 LYS A 48 13.856 -6.204 6.386 1.00 3.10 H new ATOM 0 HG3 LYS A 48 15.062 -5.954 5.139 1.00 3.10 H new ATOM 0 HD2 LYS A 48 15.569 -5.718 8.132 1.00 3.81 H new ATOM 0 HD3 LYS A 48 15.975 -7.112 7.151 1.00 3.81 H new ATOM 0 HE2 LYS A 48 17.077 -4.304 6.731 1.00 4.36 H new ATOM 0 HE3 LYS A 48 17.921 -5.599 7.556 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 18.704 -5.561 5.351 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 17.682 -6.914 5.447 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 17.139 -5.492 4.696 1.00 4.90 H new ATOM 784 N ASP A 49 13.785 -2.862 3.109 1.00 2.76 N ATOM 785 CA ASP A 49 13.923 -2.884 1.655 1.00 3.32 C ATOM 786 C ASP A 49 15.295 -3.419 1.261 1.00 3.36 C ATOM 787 O ASP A 49 16.105 -3.750 2.129 1.00 3.77 O ATOM 788 CB ASP A 49 13.723 -1.474 1.091 1.00 4.26 C ATOM 789 CG ASP A 49 13.174 -1.469 -0.326 1.00 4.93 C ATOM 790 OD1 ASP A 49 13.947 -1.693 -1.280 1.00 5.45 O ATOM 791 OD2 ASP A 49 11.966 -1.218 -0.492 1.00 5.24 O ATOM 0 H ASP A 49 13.886 -1.935 3.523 1.00 2.76 H new ATOM 0 HA ASP A 49 13.161 -3.544 1.239 1.00 3.32 H new ATOM 0 HB2 ASP A 49 13.042 -0.923 1.740 1.00 4.26 H new ATOM 0 HB3 ASP A 49 14.676 -0.945 1.107 1.00 4.26 H new ATOM 796 N ASP A 50 15.552 -3.474 -0.044 1.00 3.50 N ATOM 797 CA ASP A 50 16.783 -4.043 -0.591 1.00 3.96 C ATOM 798 C ASP A 50 16.868 -5.524 -0.273 1.00 4.13 C ATOM 799 O ASP A 50 17.370 -5.934 0.773 1.00 4.41 O ATOM 800 CB ASP A 50 18.014 -3.300 -0.070 1.00 4.66 C ATOM 801 CG ASP A 50 19.307 -3.755 -0.721 1.00 5.23 C ATOM 802 OD1 ASP A 50 19.889 -4.765 -0.271 1.00 5.65 O ATOM 803 OD2 ASP A 50 19.761 -3.093 -1.677 1.00 5.56 O ATOM 0 H ASP A 50 14.910 -3.124 -0.755 1.00 3.50 H new ATOM 0 HA ASP A 50 16.761 -3.924 -1.674 1.00 3.96 H new ATOM 0 HB2 ASP A 50 17.885 -2.231 -0.242 1.00 4.66 H new ATOM 0 HB3 ASP A 50 18.088 -3.443 1.008 1.00 4.66 H new ATOM 808 N GLY A 51 16.356 -6.321 -1.190 1.00 4.42 N ATOM 809 CA GLY A 51 16.329 -7.750 -0.998 1.00 5.01 C ATOM 810 C GLY A 51 16.065 -8.494 -2.288 1.00 5.12 C ATOM 811 O GLY A 51 16.579 -9.590 -2.496 1.00 5.72 O ATOM 0 H GLY A 51 15.955 -6.001 -2.072 1.00 4.42 H new ATOM 0 HA2 GLY A 51 17.281 -8.077 -0.580 1.00 5.01 H new ATOM 0 HA3 GLY A 51 15.558 -8.003 -0.270 1.00 5.01 H new ATOM 815 N THR A 52 15.264 -7.900 -3.157 1.00 4.86 N ATOM 816 CA THR A 52 14.942 -8.515 -4.435 1.00 5.25 C ATOM 817 C THR A 52 15.283 -7.577 -5.587 1.00 5.04 C ATOM 818 O THR A 52 15.770 -6.468 -5.354 1.00 4.76 O ATOM 819 CB THR A 52 13.469 -8.926 -4.509 1.00 5.76 C ATOM 820 OG1 THR A 52 12.618 -7.816 -4.187 1.00 5.54 O ATOM 821 CG2 THR A 52 13.176 -10.083 -3.566 1.00 6.40 C ATOM 0 H THR A 52 14.825 -6.993 -3.001 1.00 4.86 H new ATOM 0 HA THR A 52 15.548 -9.417 -4.522 1.00 5.25 H new ATOM 0 HB THR A 52 13.267 -9.248 -5.531 1.00 5.76 H new ATOM 0 HG1 THR A 52 12.650 -7.648 -3.222 1.00 5.54 H new ATOM 0 HG21 THR A 52 12.123 -10.354 -3.639 1.00 6.40 H new ATOM 0 HG22 THR A 52 13.791 -10.940 -3.840 1.00 6.40 H new ATOM 0 HG23 THR A 52 13.404 -9.785 -2.543 1.00 6.40 H new ATOM 829 N GLU A 53 15.045 -8.014 -6.820 1.00 5.50 N ATOM 830 CA GLU A 53 15.344 -7.217 -7.982 1.00 5.71 C ATOM 831 C GLU A 53 14.463 -5.974 -8.022 1.00 5.89 C ATOM 832 O GLU A 53 14.964 -4.852 -8.103 1.00 6.33 O ATOM 833 CB GLU A 53 15.142 -8.070 -9.225 1.00 6.53 C ATOM 834 CG GLU A 53 15.446 -7.341 -10.504 1.00 6.78 C ATOM 835 CD GLU A 53 16.886 -6.881 -10.585 1.00 7.39 C ATOM 836 OE1 GLU A 53 17.130 -5.657 -10.566 1.00 7.81 O ATOM 837 OE2 GLU A 53 17.785 -7.742 -10.655 1.00 7.67 O ATOM 0 H GLU A 53 14.641 -8.927 -7.030 1.00 5.50 H new ATOM 0 HA GLU A 53 16.380 -6.880 -7.941 1.00 5.71 H new ATOM 0 HB2 GLU A 53 15.778 -8.953 -9.158 1.00 6.53 H new ATOM 0 HB3 GLU A 53 14.111 -8.422 -9.252 1.00 6.53 H new ATOM 0 HG2 GLU A 53 15.229 -7.993 -11.350 1.00 6.78 H new ATOM 0 HG3 GLU A 53 14.787 -6.477 -10.591 1.00 6.78 H new ATOM 844 N ARG A 54 13.151 -6.173 -7.951 1.00 5.89 N ATOM 845 CA ARG A 54 12.227 -5.049 -7.876 1.00 6.41 C ATOM 846 C ARG A 54 12.291 -4.437 -6.479 1.00 5.90 C ATOM 847 O ARG A 54 11.918 -3.283 -6.267 1.00 6.48 O ATOM 848 CB ARG A 54 10.797 -5.483 -8.218 1.00 7.06 C ATOM 849 CG ARG A 54 10.207 -6.501 -7.254 1.00 7.90 C ATOM 850 CD ARG A 54 8.760 -6.829 -7.597 1.00 8.75 C ATOM 851 NE ARG A 54 8.633 -7.553 -8.860 1.00 9.31 N ATOM 852 CZ ARG A 54 7.466 -7.854 -9.429 1.00 10.15 C ATOM 853 NH1 ARG A 54 6.328 -7.437 -8.887 1.00 10.53 N ATOM 854 NH2 ARG A 54 7.438 -8.556 -10.552 1.00 10.77 N ATOM 0 H ARG A 54 12.708 -7.092 -7.944 1.00 5.89 H new ATOM 0 HA ARG A 54 12.521 -4.299 -8.611 1.00 6.41 H new ATOM 0 HB2 ARG A 54 10.156 -4.602 -8.235 1.00 7.06 H new ATOM 0 HB3 ARG A 54 10.788 -5.904 -9.224 1.00 7.06 H new ATOM 0 HG2 ARG A 54 10.803 -7.413 -7.279 1.00 7.90 H new ATOM 0 HG3 ARG A 54 10.261 -6.113 -6.237 1.00 7.90 H new ATOM 0 HD2 ARG A 54 8.327 -7.426 -6.795 1.00 8.75 H new ATOM 0 HD3 ARG A 54 8.185 -5.905 -7.653 1.00 8.75 H new ATOM 0 HE ARG A 54 9.488 -7.845 -9.334 1.00 9.31 H new ATOM 0 HH11 ARG A 54 6.344 -6.883 -8.031 1.00 10.53 H new ATOM 0 HH12 ARG A 54 5.438 -7.670 -9.327 1.00 10.53 H new ATOM 0 HH21 ARG A 54 8.310 -8.866 -10.981 1.00 10.77 H new ATOM 0 HH22 ARG A 54 6.545 -8.786 -10.987 1.00 10.77 H new ATOM 868 N SER A 55 12.734 -5.265 -5.533 1.00 5.08 N ATOM 869 CA SER A 55 13.083 -4.850 -4.185 1.00 4.86 C ATOM 870 C SER A 55 11.830 -4.528 -3.403 1.00 3.87 C ATOM 871 O SER A 55 11.857 -3.745 -2.455 1.00 3.94 O ATOM 872 CB SER A 55 14.034 -3.650 -4.211 1.00 5.52 C ATOM 873 OG SER A 55 14.713 -3.508 -2.976 1.00 6.28 O ATOM 0 H SER A 55 12.861 -6.265 -5.692 1.00 5.08 H new ATOM 0 HA SER A 55 13.601 -5.672 -3.691 1.00 4.86 H new ATOM 0 HB2 SER A 55 14.759 -3.774 -5.015 1.00 5.52 H new ATOM 0 HB3 SER A 55 13.472 -2.741 -4.426 1.00 5.52 H new ATOM 0 HG SER A 55 14.484 -2.644 -2.574 1.00 6.28 H new ATOM 879 N ARG A 56 10.723 -5.140 -3.808 1.00 3.37 N ATOM 880 CA ARG A 56 9.460 -4.840 -3.230 1.00 2.70 C ATOM 881 C ARG A 56 8.368 -5.768 -3.759 1.00 2.24 C ATOM 882 O ARG A 56 8.638 -6.668 -4.551 1.00 2.47 O ATOM 883 CB ARG A 56 9.183 -3.390 -3.562 1.00 3.43 C ATOM 884 CG ARG A 56 8.168 -3.131 -4.669 1.00 4.15 C ATOM 885 CD ARG A 56 8.784 -3.293 -6.044 1.00 4.75 C ATOM 886 NE ARG A 56 7.855 -2.930 -7.109 1.00 5.53 N ATOM 887 CZ ARG A 56 8.241 -2.495 -8.307 1.00 6.18 C ATOM 888 NH1 ARG A 56 9.533 -2.330 -8.572 1.00 6.21 N ATOM 889 NH2 ARG A 56 7.336 -2.208 -9.233 1.00 7.08 N ATOM 0 H ARG A 56 10.696 -5.849 -4.541 1.00 3.37 H new ATOM 0 HA ARG A 56 9.470 -4.995 -2.151 1.00 2.70 H new ATOM 0 HB2 ARG A 56 8.836 -2.892 -2.657 1.00 3.43 H new ATOM 0 HB3 ARG A 56 10.124 -2.918 -3.844 1.00 3.43 H new ATOM 0 HG2 ARG A 56 7.330 -3.820 -4.562 1.00 4.15 H new ATOM 0 HG3 ARG A 56 7.767 -2.123 -4.566 1.00 4.15 H new ATOM 0 HD2 ARG A 56 9.677 -2.672 -6.116 1.00 4.75 H new ATOM 0 HD3 ARG A 56 9.103 -4.327 -6.178 1.00 4.75 H new ATOM 0 HE ARG A 56 6.855 -3.014 -6.926 1.00 5.53 H new ATOM 0 HH11 ARG A 56 10.231 -2.537 -7.857 1.00 6.21 H new ATOM 0 HH12 ARG A 56 9.827 -1.997 -9.490 1.00 6.21 H new ATOM 0 HH21 ARG A 56 6.343 -2.320 -9.028 1.00 7.08 H new ATOM 0 HH22 ARG A 56 7.633 -1.875 -10.150 1.00 7.08 H new ATOM 903 N TRP A 57 7.145 -5.525 -3.314 1.00 1.83 N ATOM 904 CA TRP A 57 5.998 -6.358 -3.614 1.00 1.49 C ATOM 905 C TRP A 57 4.779 -5.476 -3.827 1.00 1.19 C ATOM 906 O TRP A 57 4.880 -4.251 -3.790 1.00 1.43 O ATOM 907 CB TRP A 57 5.699 -7.311 -2.489 1.00 1.69 C ATOM 908 CG TRP A 57 6.894 -8.004 -1.903 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.427 -7.756 -0.689 1.00 1.56 C ATOM 910 CD2 TRP A 57 7.690 -9.041 -2.483 1.00 2.78 C ATOM 911 NE1 TRP A 57 8.501 -8.543 -0.452 1.00 1.85 N ATOM 912 CE2 TRP A 57 8.693 -9.358 -1.545 1.00 2.70 C ATOM 913 CE3 TRP A 57 7.657 -9.731 -3.700 1.00 3.91 C ATOM 914 CZ2 TRP A 57 9.654 -10.336 -1.790 1.00 3.65 C ATOM 915 CZ3 TRP A 57 8.611 -10.702 -3.937 1.00 4.90 C ATOM 916 CH2 TRP A 57 9.596 -10.996 -2.988 1.00 4.75 C ATOM 0 H TRP A 57 6.921 -4.725 -2.722 1.00 1.83 H new ATOM 0 HA TRP A 57 6.228 -6.933 -4.511 1.00 1.49 H new ATOM 0 HB2 TRP A 57 5.192 -6.763 -1.695 1.00 1.69 H new ATOM 0 HB3 TRP A 57 5.002 -8.067 -2.850 1.00 1.69 H new ATOM 0 HD1 TRP A 57 7.045 -7.022 0.005 1.00 1.56 H new ATOM 0 HE1 TRP A 57 9.072 -8.534 0.393 1.00 1.85 H new ATOM 0 HE3 TRP A 57 6.901 -9.509 -4.439 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 10.417 -10.565 -1.061 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 8.596 -11.244 -4.871 1.00 4.90 H new ATOM 0 HH2 TRP A 57 10.327 -11.761 -3.205 1.00 4.75 H new ATOM 927 N ASN A 58 3.649 -6.105 -4.105 1.00 0.91 N ATOM 928 CA ASN A 58 2.415 -5.397 -4.421 1.00 0.71 C ATOM 929 C ASN A 58 1.392 -5.547 -3.293 1.00 0.59 C ATOM 930 O ASN A 58 1.612 -6.294 -2.335 1.00 0.71 O ATOM 931 CB ASN A 58 1.818 -5.906 -5.740 1.00 0.74 C ATOM 932 CG ASN A 58 1.601 -7.413 -5.774 1.00 1.23 C ATOM 933 OD1 ASN A 58 1.396 -8.064 -4.747 1.00 2.05 O ATOM 934 ND2 ASN A 58 1.651 -7.980 -6.966 1.00 1.91 N ATOM 0 H ASN A 58 3.559 -7.121 -4.119 1.00 0.91 H new ATOM 0 HA ASN A 58 2.658 -4.340 -4.530 1.00 0.71 H new ATOM 0 HB2 ASN A 58 0.865 -5.407 -5.913 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.479 -5.625 -6.560 1.00 0.74 H new ATOM 0 HD21 ASN A 58 1.518 -8.987 -7.058 1.00 1.91 H new ATOM 0 HD22 ASN A 58 1.823 -7.411 -7.795 1.00 1.91 H new ATOM 941 N CYS A 59 0.286 -4.818 -3.407 1.00 0.55 N ATOM 942 CA CYS A 59 -0.822 -4.939 -2.471 1.00 0.50 C ATOM 943 C CYS A 59 -2.061 -5.424 -3.195 1.00 0.44 C ATOM 944 O CYS A 59 -2.229 -5.176 -4.386 1.00 0.56 O ATOM 945 CB CYS A 59 -1.151 -3.609 -1.791 1.00 0.60 C ATOM 946 SG CYS A 59 0.229 -2.844 -0.911 1.00 0.76 S ATOM 0 H CYS A 59 0.135 -4.132 -4.146 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.515 -5.653 -1.707 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.513 -2.911 -2.546 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.968 -3.769 -1.087 1.00 0.60 H new ATOM 951 N LEU A 60 -2.937 -6.087 -2.469 1.00 0.36 N ATOM 952 CA LEU A 60 -4.166 -6.586 -3.031 1.00 0.34 C ATOM 953 C LEU A 60 -5.306 -6.225 -2.102 1.00 0.29 C ATOM 954 O LEU A 60 -5.339 -6.675 -0.965 1.00 0.32 O ATOM 955 CB LEU A 60 -4.099 -8.104 -3.198 1.00 0.44 C ATOM 956 CG LEU A 60 -2.921 -8.639 -4.017 1.00 1.27 C ATOM 957 CD1 LEU A 60 -2.880 -10.159 -3.957 1.00 1.90 C ATOM 958 CD2 LEU A 60 -3.014 -8.175 -5.462 1.00 1.85 C ATOM 0 H LEU A 60 -2.814 -6.292 -1.477 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.324 -6.138 -4.012 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -4.062 -8.557 -2.207 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -5.024 -8.439 -3.668 1.00 0.44 H new ATOM 0 HG LEU A 60 -2.001 -8.245 -3.586 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -2.037 -10.524 -4.544 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -2.766 -10.479 -2.921 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -3.807 -10.564 -4.363 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -2.167 -8.567 -6.025 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -3.942 -8.539 -5.902 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -3.000 -7.086 -5.496 1.00 1.85 H new ATOM 970 N PHE A 61 -6.234 -5.427 -2.575 1.00 0.29 N ATOM 971 CA PHE A 61 -7.347 -5.005 -1.743 1.00 0.28 C ATOM 972 C PHE A 61 -8.549 -5.870 -2.034 1.00 0.37 C ATOM 973 O PHE A 61 -8.960 -5.980 -3.177 1.00 0.48 O ATOM 974 CB PHE A 61 -7.770 -3.563 -2.026 1.00 0.32 C ATOM 975 CG PHE A 61 -6.894 -2.480 -1.494 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.524 -2.615 -1.383 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.469 -1.280 -1.156 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.754 -1.567 -0.949 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.716 -0.233 -0.720 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.347 -0.364 -0.620 1.00 0.37 C ATOM 0 H PHE A 61 -6.245 -5.056 -3.525 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.013 -5.091 -0.709 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -7.844 -3.438 -3.106 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.771 -3.418 -1.620 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.056 -3.554 -1.640 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.540 -1.164 -1.238 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.684 -1.682 -0.864 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -7.191 0.700 -0.453 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.743 0.467 -0.287 1.00 0.37 H new ATOM 990 N ARG A 62 -9.118 -6.460 -1.008 1.00 0.47 N ATOM 991 CA ARG A 62 -10.272 -7.318 -1.178 1.00 0.66 C ATOM 992 C ARG A 62 -11.344 -6.981 -0.148 1.00 0.89 C ATOM 993 O ARG A 62 -11.039 -6.642 0.998 1.00 1.05 O ATOM 994 CB ARG A 62 -9.867 -8.792 -1.048 1.00 0.84 C ATOM 995 CG ARG A 62 -11.052 -9.742 -1.065 1.00 1.49 C ATOM 996 CD ARG A 62 -10.626 -11.196 -0.978 1.00 1.88 C ATOM 997 NE ARG A 62 -11.782 -12.088 -0.891 1.00 2.29 N ATOM 998 CZ ARG A 62 -11.704 -13.417 -0.887 1.00 2.86 C ATOM 999 NH1 ARG A 62 -10.521 -14.019 -0.956 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -12.810 -14.146 -0.803 1.00 3.63 N ATOM 0 H ARG A 62 -8.801 -6.362 -0.044 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.678 -7.151 -2.175 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -9.191 -9.050 -1.864 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.313 -8.929 -0.119 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -11.714 -9.509 -0.231 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -11.625 -9.588 -1.979 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -10.030 -11.455 -1.853 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -9.989 -11.338 -0.105 1.00 1.88 H new ATOM 0 HE ARG A 62 -12.708 -11.664 -0.829 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -9.668 -13.462 -1.012 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -10.466 -15.038 -0.953 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -13.719 -13.688 -0.742 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -12.751 -15.164 -0.800 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.591 -7.042 -0.575 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.720 -6.919 0.332 1.00 1.48 C ATOM 1016 C GLN A 63 -14.903 -7.674 -0.255 1.00 2.09 C ATOM 1017 O GLN A 63 -16.064 -7.321 -0.050 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.061 -5.442 0.574 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.037 -5.205 1.720 1.00 2.15 C ATOM 1020 CD GLN A 63 -14.570 -5.808 3.036 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -13.262 -5.895 3.231 1.00 3.00 O flip ATOM 1022 NE2 GLN A 63 -15.385 -6.200 3.873 1.00 3.03 N flip ATOM 0 H GLN A 63 -12.851 -7.177 -1.552 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.467 -7.352 1.300 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.139 -4.897 0.778 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -14.483 -5.024 -0.340 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -15.182 -4.133 1.850 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -16.006 -5.628 1.457 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -16.385 -6.117 3.689 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -15.060 -6.607 4.750 1.00 3.03 H new ATOM 1031 N GLY A 64 -14.590 -8.721 -1.003 1.00 2.55 N ATOM 1032 CA GLY A 64 -15.618 -9.487 -1.659 1.00 3.28 C ATOM 1033 C GLY A 64 -15.182 -10.896 -1.981 1.00 3.41 C ATOM 1034 O GLY A 64 -15.145 -11.757 -1.102 1.00 3.88 O ATOM 0 H GLY A 64 -13.639 -9.051 -1.165 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -16.502 -9.522 -1.022 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -15.909 -8.982 -2.580 1.00 3.28 H new ATOM 1038 N ILE A 65 -14.827 -11.137 -3.234 1.00 3.49 N ATOM 1039 CA ILE A 65 -14.625 -12.494 -3.704 1.00 3.94 C ATOM 1040 C ILE A 65 -13.732 -12.572 -4.950 1.00 4.01 C ATOM 1041 O ILE A 65 -12.637 -13.130 -4.907 1.00 4.32 O ATOM 1042 CB ILE A 65 -15.997 -13.132 -3.975 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -15.875 -14.443 -4.765 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -16.874 -12.127 -4.683 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -15.111 -15.528 -4.037 1.00 5.57 C ATOM 0 H ILE A 65 -14.674 -10.414 -3.937 1.00 3.49 H new ATOM 0 HA ILE A 65 -14.097 -13.045 -2.925 1.00 3.94 H new ATOM 0 HB ILE A 65 -16.458 -13.399 -3.024 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -16.875 -14.810 -4.998 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -15.381 -14.239 -5.715 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -17.850 -12.571 -4.880 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -16.996 -11.245 -4.055 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -16.409 -11.839 -5.626 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -15.068 -16.422 -4.659 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -14.099 -15.182 -3.828 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -15.616 -15.762 -3.100 1.00 5.57 H new ATOM 1057 N ASN A 66 -14.204 -11.998 -6.044 1.00 4.06 N ATOM 1058 CA ASN A 66 -13.551 -12.122 -7.341 1.00 4.27 C ATOM 1059 C ASN A 66 -12.946 -10.774 -7.717 1.00 4.09 C ATOM 1060 O ASN A 66 -12.511 -10.030 -6.837 1.00 4.26 O ATOM 1061 CB ASN A 66 -14.584 -12.579 -8.381 1.00 4.76 C ATOM 1062 CG ASN A 66 -13.971 -13.303 -9.570 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -12.845 -13.025 -9.978 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -14.715 -14.241 -10.133 1.00 6.08 N ATOM 0 H ASN A 66 -15.052 -11.431 -6.060 1.00 4.06 H new ATOM 0 HA ASN A 66 -12.752 -12.863 -7.303 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -15.306 -13.237 -7.898 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -15.135 -11.710 -8.740 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -14.359 -14.762 -10.934 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -15.645 -14.443 -9.766 1.00 6.08 H new ATOM 1071 N MET A 67 -12.871 -10.477 -9.011 1.00 4.09 N ATOM 1072 CA MET A 67 -12.470 -9.149 -9.468 1.00 4.13 C ATOM 1073 C MET A 67 -13.344 -8.083 -8.812 1.00 3.60 C ATOM 1074 O MET A 67 -12.907 -6.957 -8.593 1.00 3.77 O ATOM 1075 CB MET A 67 -12.572 -9.040 -10.994 1.00 4.54 C ATOM 1076 CG MET A 67 -11.667 -10.008 -11.742 1.00 5.19 C ATOM 1077 SD MET A 67 -11.707 -9.765 -13.531 1.00 6.00 S ATOM 1078 CE MET A 67 -13.442 -10.049 -13.877 1.00 6.30 C ATOM 0 H MET A 67 -13.082 -11.136 -9.761 1.00 4.09 H new ATOM 0 HA MET A 67 -11.431 -8.990 -9.181 1.00 4.13 H new ATOM 0 HB2 MET A 67 -13.605 -9.218 -11.293 1.00 4.54 H new ATOM 0 HB3 MET A 67 -12.325 -8.021 -11.293 1.00 4.54 H new ATOM 0 HG2 MET A 67 -10.643 -9.889 -11.387 1.00 5.19 H new ATOM 0 HG3 MET A 67 -11.967 -11.030 -11.512 1.00 5.19 H new ATOM 0 HE1 MET A 67 -13.577 -10.216 -14.946 1.00 6.30 H new ATOM 0 HE2 MET A 67 -13.784 -10.925 -13.326 1.00 6.30 H new ATOM 0 HE3 MET A 67 -14.022 -9.178 -13.570 1.00 6.30 H new ATOM 1088 N LYS A 68 -14.587 -8.454 -8.509 1.00 3.30 N ATOM 1089 CA LYS A 68 -15.486 -7.595 -7.748 1.00 3.12 C ATOM 1090 C LYS A 68 -14.946 -7.391 -6.340 1.00 2.78 C ATOM 1091 O LYS A 68 -14.569 -8.358 -5.675 1.00 3.25 O ATOM 1092 CB LYS A 68 -16.889 -8.210 -7.663 1.00 3.71 C ATOM 1093 CG LYS A 68 -17.765 -7.974 -8.884 1.00 4.30 C ATOM 1094 CD LYS A 68 -17.206 -8.626 -10.136 1.00 4.85 C ATOM 1095 CE LYS A 68 -18.172 -8.503 -11.304 1.00 5.37 C ATOM 1096 NZ LYS A 68 -18.590 -7.095 -11.535 1.00 5.81 N ATOM 0 H LYS A 68 -14.994 -9.349 -8.782 1.00 3.30 H new ATOM 0 HA LYS A 68 -15.550 -6.636 -8.262 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -16.790 -9.284 -7.506 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -17.395 -7.805 -6.787 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -18.764 -8.364 -8.691 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -17.868 -6.902 -9.052 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -16.256 -8.160 -10.397 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -17.002 -9.679 -9.940 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -17.702 -8.894 -12.206 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -19.053 -9.116 -11.112 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -19.093 -7.027 -12.442 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -19.220 -6.789 -10.766 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -17.750 -6.483 -11.558 1.00 5.81 H new ATOM 1110 N PHE A 69 -14.926 -6.137 -5.891 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.429 -5.793 -4.560 1.00 2.44 C ATOM 1112 C PHE A 69 -12.936 -6.119 -4.430 1.00 2.04 C ATOM 1113 O PHE A 69 -12.527 -6.836 -3.512 1.00 2.83 O ATOM 1114 CB PHE A 69 -15.228 -6.542 -3.483 1.00 3.01 C ATOM 1115 CG PHE A 69 -16.630 -6.036 -3.296 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -16.901 -5.033 -2.379 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -17.675 -6.570 -4.028 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -18.191 -4.573 -2.198 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -18.966 -6.113 -3.852 1.00 5.20 C ATOM 1120 CZ PHE A 69 -19.225 -5.113 -2.935 1.00 6.01 C ATOM 0 H PHE A 69 -15.251 -5.337 -6.434 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.559 -4.720 -4.417 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -15.267 -7.599 -3.744 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.697 -6.467 -2.534 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -16.095 -4.607 -1.800 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -17.479 -7.353 -4.745 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -18.390 -3.791 -1.480 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -19.773 -6.537 -4.431 1.00 5.20 H new ATOM 0 HZ PHE A 69 -20.234 -4.755 -2.795 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.130 -5.591 -5.349 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.717 -5.912 -5.412 1.00 0.92 C ATOM 1132 C PHE A 70 -9.913 -4.784 -6.066 1.00 0.79 C ATOM 1133 O PHE A 70 -10.462 -3.967 -6.803 1.00 1.19 O ATOM 1134 CB PHE A 70 -10.547 -7.179 -6.222 1.00 1.37 C ATOM 1135 CG PHE A 70 -9.245 -7.835 -5.984 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.977 -8.340 -4.744 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -8.293 -7.933 -6.974 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -7.788 -8.939 -4.471 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -7.087 -8.536 -6.720 1.00 3.59 C ATOM 1140 CZ PHE A 70 -6.826 -9.044 -5.461 1.00 3.63 C ATOM 0 H PHE A 70 -12.441 -4.933 -6.064 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.344 -6.045 -4.396 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -11.350 -7.874 -5.976 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -10.643 -6.944 -7.282 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -9.723 -8.262 -3.967 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -8.497 -7.533 -7.956 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.594 -9.332 -3.484 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -6.345 -8.613 -7.500 1.00 3.59 H new ATOM 0 HZ PHE A 70 -5.879 -9.519 -5.251 1.00 3.63 H new ATOM 1150 N THR A 71 -8.618 -4.751 -5.776 1.00 0.58 N ATOM 1151 CA THR A 71 -7.666 -3.896 -6.493 1.00 0.49 C ATOM 1152 C THR A 71 -6.241 -4.308 -6.173 1.00 0.40 C ATOM 1153 O THR A 71 -5.911 -4.588 -5.028 1.00 0.49 O ATOM 1154 CB THR A 71 -7.850 -2.375 -6.229 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.555 -1.658 -7.431 1.00 0.81 O ATOM 1156 CG2 THR A 71 -6.951 -1.819 -5.128 1.00 0.48 C ATOM 0 H THR A 71 -8.194 -5.314 -5.039 1.00 0.58 H new ATOM 0 HA THR A 71 -7.875 -4.047 -7.552 1.00 0.49 H new ATOM 0 HB THR A 71 -8.882 -2.248 -5.903 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.391 -1.424 -7.886 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.141 -0.753 -5.007 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.162 -2.334 -4.191 1.00 0.48 H new ATOM 0 HG23 THR A 71 -5.906 -1.973 -5.399 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.406 -4.386 -7.187 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.008 -4.671 -6.963 1.00 0.45 C ATOM 1166 C GLU A 72 -3.205 -3.380 -7.079 1.00 0.47 C ATOM 1167 O GLU A 72 -3.122 -2.777 -8.151 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.492 -5.735 -7.945 1.00 0.63 C ATOM 1169 CG GLU A 72 -3.678 -5.381 -9.414 1.00 1.19 C ATOM 1170 CD GLU A 72 -3.027 -6.383 -10.344 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -1.798 -6.304 -10.549 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -3.736 -7.265 -10.871 1.00 1.80 O ATOM 0 H GLU A 72 -5.668 -4.257 -8.164 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.886 -5.077 -5.959 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -2.432 -5.902 -7.756 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -4.004 -6.676 -7.743 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -4.743 -5.323 -9.637 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -3.259 -4.392 -9.601 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.654 -2.934 -5.966 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.847 -1.727 -5.959 1.00 0.52 C ATOM 1181 C VAL A 73 -0.382 -2.112 -5.835 1.00 0.64 C ATOM 1182 O VAL A 73 -0.067 -3.231 -5.453 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.197 -0.768 -4.797 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.997 0.674 -5.240 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.612 -0.978 -4.282 1.00 0.53 C ATOM 0 H VAL A 73 -2.750 -3.387 -5.057 1.00 0.44 H new ATOM 0 HA VAL A 73 -2.052 -1.203 -6.893 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.523 -0.991 -3.970 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.245 1.345 -4.418 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.957 0.825 -5.530 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.645 0.887 -6.090 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -3.810 -0.282 -3.467 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.323 -0.803 -5.090 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.719 -2.000 -3.920 1.00 0.53 H new ATOM 1195 N GLU A 74 0.513 -1.204 -6.175 1.00 0.80 N ATOM 1196 CA GLU A 74 1.922 -1.407 -5.887 1.00 0.96 C ATOM 1197 C GLU A 74 2.151 -1.075 -4.423 1.00 0.98 C ATOM 1198 O GLU A 74 1.763 0.000 -3.964 1.00 1.16 O ATOM 1199 CB GLU A 74 2.787 -0.513 -6.770 1.00 1.24 C ATOM 1200 CG GLU A 74 4.279 -0.800 -6.673 1.00 1.49 C ATOM 1201 CD GLU A 74 4.668 -2.142 -7.254 1.00 1.71 C ATOM 1202 OE1 GLU A 74 5.160 -2.999 -6.499 1.00 2.25 O ATOM 1203 OE2 GLU A 74 4.497 -2.340 -8.476 1.00 2.02 O ATOM 0 H GLU A 74 0.294 -0.326 -6.646 1.00 0.80 H new ATOM 0 HA GLU A 74 2.198 -2.441 -6.092 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.472 -0.631 -7.807 1.00 1.24 H new ATOM 0 HB3 GLU A 74 2.610 0.528 -6.499 1.00 1.24 H new ATOM 0 HG2 GLU A 74 4.828 -0.014 -7.192 1.00 1.49 H new ATOM 0 HG3 GLU A 74 4.582 -0.763 -5.627 1.00 1.49 H new ATOM 1210 N ALA A 75 2.779 -1.991 -3.695 1.00 1.06 N ATOM 1211 CA ALA A 75 2.941 -1.833 -2.262 1.00 1.12 C ATOM 1212 C ALA A 75 3.952 -0.758 -2.006 1.00 1.43 C ATOM 1213 O ALA A 75 3.827 0.025 -1.070 1.00 1.80 O ATOM 1214 CB ALA A 75 3.373 -3.137 -1.590 1.00 1.02 C ATOM 0 H ALA A 75 3.182 -2.847 -4.076 1.00 1.06 H new ATOM 0 HA ALA A 75 1.978 -1.555 -1.832 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.483 -2.975 -0.518 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.619 -3.904 -1.766 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.326 -3.463 -2.007 1.00 1.02 H new ATOM 1220 N TYR A 76 4.939 -0.696 -2.877 1.00 1.71 N ATOM 1221 CA TYR A 76 6.006 0.248 -2.693 1.00 2.10 C ATOM 1222 C TYR A 76 6.785 0.514 -3.977 1.00 2.93 C ATOM 1223 O TYR A 76 7.656 -0.259 -4.371 1.00 3.37 O ATOM 1224 CB TYR A 76 6.905 -0.226 -1.550 1.00 2.06 C ATOM 1225 CG TYR A 76 6.790 0.692 -0.372 1.00 2.42 C ATOM 1226 CD1 TYR A 76 6.644 0.170 0.894 1.00 3.02 C ATOM 1227 CD2 TYR A 76 6.870 2.066 -0.510 1.00 2.63 C ATOM 1228 CE1 TYR A 76 6.576 0.980 1.989 1.00 3.55 C ATOM 1229 CE2 TYR A 76 6.796 2.889 0.587 1.00 3.23 C ATOM 1230 CZ TYR A 76 6.509 2.426 1.756 1.00 3.62 C ATOM 1231 OH TYR A 76 6.595 3.142 2.950 1.00 4.28 O ATOM 0 H TYR A 76 5.019 -1.283 -3.707 1.00 1.71 H new ATOM 0 HA TYR A 76 5.574 1.211 -2.422 1.00 2.10 H new ATOM 0 HB2 TYR A 76 6.627 -1.238 -1.257 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.941 -0.265 -1.887 1.00 2.06 H new ATOM 0 HD1 TYR A 76 6.582 -0.901 1.022 1.00 3.02 H new ATOM 0 HD2 TYR A 76 6.992 2.497 -1.493 1.00 2.63 H new ATOM 0 HE1 TYR A 76 6.572 0.572 2.989 1.00 3.55 H new ATOM 0 HE2 TYR A 76 6.982 3.946 0.468 1.00 3.23 H new ATOM 0 HH TYR A 76 5.808 2.952 3.503 1.00 4.28 H new ATOM 1241 N ARG A 77 6.471 1.644 -4.605 1.00 3.45 N ATOM 1242 CA ARG A 77 7.112 2.046 -5.854 1.00 4.39 C ATOM 1243 C ARG A 77 8.501 2.605 -5.573 1.00 4.69 C ATOM 1244 O ARG A 77 8.682 3.361 -4.625 1.00 4.62 O ATOM 1245 CB ARG A 77 6.270 3.113 -6.566 1.00 5.09 C ATOM 1246 CG ARG A 77 4.886 2.637 -6.974 1.00 5.52 C ATOM 1247 CD ARG A 77 4.106 3.721 -7.698 1.00 6.16 C ATOM 1248 NE ARG A 77 4.699 4.054 -8.993 1.00 6.62 N ATOM 1249 CZ ARG A 77 4.118 4.838 -9.902 1.00 7.29 C ATOM 1250 NH1 ARG A 77 2.950 5.414 -9.640 1.00 7.66 N ATOM 1251 NH2 ARG A 77 4.710 5.051 -11.071 1.00 7.82 N ATOM 0 H ARG A 77 5.770 2.303 -4.266 1.00 3.45 H new ATOM 0 HA ARG A 77 7.197 1.169 -6.496 1.00 4.39 H new ATOM 0 HB2 ARG A 77 6.167 3.977 -5.910 1.00 5.09 H new ATOM 0 HB3 ARG A 77 6.804 3.449 -7.455 1.00 5.09 H new ATOM 0 HG2 ARG A 77 4.978 1.763 -7.619 1.00 5.52 H new ATOM 0 HG3 ARG A 77 4.334 2.323 -6.088 1.00 5.52 H new ATOM 0 HD2 ARG A 77 3.078 3.390 -7.845 1.00 6.16 H new ATOM 0 HD3 ARG A 77 4.067 4.616 -7.077 1.00 6.16 H new ATOM 0 HE ARG A 77 5.614 3.662 -9.215 1.00 6.62 H new ATOM 0 HH11 ARG A 77 2.494 5.257 -8.741 1.00 7.66 H new ATOM 0 HH12 ARG A 77 2.509 6.013 -10.338 1.00 7.66 H new ATOM 0 HH21 ARG A 77 5.609 4.615 -11.274 1.00 7.82 H new ATOM 0 HH22 ARG A 77 4.265 5.651 -11.766 1.00 7.82 H new ATOM 1265 N PRO A 78 9.496 2.223 -6.399 1.00 5.32 N ATOM 1266 CA PRO A 78 10.904 2.613 -6.214 1.00 5.79 C ATOM 1267 C PRO A 78 11.110 4.106 -5.959 1.00 6.24 C ATOM 1268 O PRO A 78 10.991 4.933 -6.862 1.00 6.84 O ATOM 1269 CB PRO A 78 11.558 2.210 -7.523 1.00 6.56 C ATOM 1270 CG PRO A 78 10.728 1.087 -8.035 1.00 6.72 C ATOM 1271 CD PRO A 78 9.321 1.369 -7.591 1.00 5.88 C ATOM 0 HA PRO A 78 11.324 2.133 -5.330 1.00 5.79 H new ATOM 0 HB2 PRO A 78 11.576 3.041 -8.228 1.00 6.56 H new ATOM 0 HB3 PRO A 78 12.591 1.900 -7.369 1.00 6.56 H new ATOM 0 HG2 PRO A 78 10.788 1.023 -9.121 1.00 6.72 H new ATOM 0 HG3 PRO A 78 11.077 0.133 -7.640 1.00 6.72 H new ATOM 0 HD2 PRO A 78 8.750 1.878 -8.368 1.00 5.88 H new ATOM 0 HD3 PRO A 78 8.785 0.451 -7.351 1.00 5.88 H new ATOM 1279 N ASP A 79 11.411 4.431 -4.711 1.00 6.17 N ATOM 1280 CA ASP A 79 11.742 5.791 -4.312 1.00 6.76 C ATOM 1281 C ASP A 79 13.250 5.954 -4.180 1.00 6.75 C ATOM 1282 O ASP A 79 13.872 5.374 -3.292 1.00 6.33 O ATOM 1283 CB ASP A 79 11.061 6.133 -3.005 1.00 6.97 C ATOM 1284 CG ASP A 79 11.726 7.282 -2.295 1.00 7.82 C ATOM 1285 OD1 ASP A 79 11.923 8.337 -2.929 1.00 8.31 O ATOM 1286 OD2 ASP A 79 12.044 7.135 -1.094 1.00 8.19 O ATOM 0 H ASP A 79 11.433 3.758 -3.945 1.00 6.17 H new ATOM 0 HA ASP A 79 11.386 6.475 -5.082 1.00 6.76 H new ATOM 0 HB2 ASP A 79 10.017 6.383 -3.197 1.00 6.97 H new ATOM 0 HB3 ASP A 79 11.065 5.257 -2.356 1.00 6.97 H new ATOM 1291 N LEU A 80 13.842 6.691 -5.099 1.00 7.42 N ATOM 1292 CA LEU A 80 15.278 6.905 -5.084 1.00 7.70 C ATOM 1293 C LEU A 80 15.645 8.191 -4.355 1.00 7.67 C ATOM 1294 O LEU A 80 16.739 8.330 -3.804 1.00 7.65 O ATOM 1295 CB LEU A 80 15.808 6.895 -6.522 1.00 8.65 C ATOM 1296 CG LEU A 80 17.330 6.912 -6.692 1.00 9.25 C ATOM 1297 CD1 LEU A 80 17.723 6.162 -7.955 1.00 9.43 C ATOM 1298 CD2 LEU A 80 17.847 8.342 -6.760 1.00 9.75 C ATOM 0 H LEU A 80 13.352 7.152 -5.866 1.00 7.42 H new ATOM 0 HA LEU A 80 15.751 6.093 -4.531 1.00 7.70 H new ATOM 0 HB2 LEU A 80 15.419 6.008 -7.022 1.00 8.65 H new ATOM 0 HB3 LEU A 80 15.397 7.760 -7.042 1.00 8.65 H new ATOM 0 HG LEU A 80 17.777 6.420 -5.828 1.00 9.25 H new ATOM 0 HD11 LEU A 80 18.807 6.180 -8.066 1.00 9.43 H new ATOM 0 HD12 LEU A 80 17.383 5.129 -7.885 1.00 9.43 H new ATOM 0 HD13 LEU A 80 17.261 6.639 -8.820 1.00 9.43 H new ATOM 0 HD21 LEU A 80 18.930 8.332 -6.881 1.00 9.75 H new ATOM 0 HD22 LEU A 80 17.392 8.853 -7.608 1.00 9.75 H new ATOM 0 HD23 LEU A 80 17.589 8.866 -5.840 1.00 9.75 H new ATOM 1310 N LYS A 81 14.708 9.106 -4.332 1.00 7.90 N ATOM 1311 CA LYS A 81 14.977 10.478 -3.898 1.00 8.21 C ATOM 1312 C LYS A 81 14.732 10.708 -2.403 1.00 7.50 C ATOM 1313 O LYS A 81 15.478 11.452 -1.762 1.00 7.67 O ATOM 1314 CB LYS A 81 14.160 11.466 -4.735 1.00 9.15 C ATOM 1315 CG LYS A 81 12.656 11.252 -4.660 1.00 9.83 C ATOM 1316 CD LYS A 81 11.918 12.097 -5.686 1.00 10.54 C ATOM 1317 CE LYS A 81 12.192 13.580 -5.504 1.00 11.27 C ATOM 1318 NZ LYS A 81 11.491 14.400 -6.524 1.00 11.75 N ATOM 0 H LYS A 81 13.741 8.935 -4.609 1.00 7.90 H new ATOM 0 HA LYS A 81 16.041 10.650 -4.059 1.00 8.21 H new ATOM 0 HB2 LYS A 81 14.388 12.480 -4.406 1.00 9.15 H new ATOM 0 HB3 LYS A 81 14.475 11.391 -5.776 1.00 9.15 H new ATOM 0 HG2 LYS A 81 12.429 10.199 -4.825 1.00 9.83 H new ATOM 0 HG3 LYS A 81 12.302 11.502 -3.660 1.00 9.83 H new ATOM 0 HD2 LYS A 81 12.218 11.793 -6.689 1.00 10.54 H new ATOM 0 HD3 LYS A 81 10.847 11.913 -5.604 1.00 10.54 H new ATOM 0 HE2 LYS A 81 11.874 13.889 -4.508 1.00 11.27 H new ATOM 0 HE3 LYS A 81 13.265 13.762 -5.566 1.00 11.27 H new ATOM 0 HZ1 LYS A 81 11.703 15.406 -6.366 1.00 11.75 H new ATOM 0 HZ2 LYS A 81 11.813 14.123 -7.473 1.00 11.75 H new ATOM 0 HZ3 LYS A 81 10.465 14.246 -6.448 1.00 11.75 H new ATOM 1332 N HIS A 82 13.702 10.085 -1.843 1.00 6.91 N ATOM 1333 CA HIS A 82 13.350 10.311 -0.439 1.00 6.47 C ATOM 1334 C HIS A 82 14.220 9.437 0.458 1.00 5.53 C ATOM 1335 O HIS A 82 14.562 8.316 0.087 1.00 5.01 O ATOM 1336 CB HIS A 82 11.866 10.006 -0.188 1.00 6.67 C ATOM 1337 CG HIS A 82 10.929 10.772 -1.070 1.00 7.18 C ATOM 1338 ND1 HIS A 82 10.445 10.281 -2.260 1.00 7.40 N ATOM 1339 CD2 HIS A 82 10.394 12.001 -0.933 1.00 7.76 C ATOM 1340 CE1 HIS A 82 9.656 11.176 -2.817 1.00 8.08 C ATOM 1341 NE2 HIS A 82 9.607 12.238 -2.033 1.00 8.33 N ATOM 0 H HIS A 82 13.098 9.424 -2.331 1.00 6.91 H new ATOM 0 HA HIS A 82 13.526 11.361 -0.205 1.00 6.47 H new ATOM 0 HB2 HIS A 82 11.695 8.939 -0.333 1.00 6.67 H new ATOM 0 HB3 HIS A 82 11.631 10.227 0.853 1.00 6.67 H new ATOM 0 HD1 HIS A 82 10.664 9.365 -2.651 1.00 7.40 H new ATOM 0 HD2 HIS A 82 10.555 12.678 -0.107 1.00 7.76 H new ATOM 0 HE1 HIS A 82 9.136 11.061 -3.757 1.00 8.08 H new ATOM 0 HE2 HIS A 82 9.075 13.089 -2.214 1.00 8.33 H new ATOM 1350 N PRO A 83 14.634 9.938 1.632 1.00 5.57 N ATOM 1351 CA PRO A 83 15.473 9.166 2.531 1.00 4.95 C ATOM 1352 C PRO A 83 14.683 8.349 3.557 1.00 4.13 C ATOM 1353 O PRO A 83 14.066 8.903 4.467 1.00 4.33 O ATOM 1354 CB PRO A 83 16.280 10.260 3.230 1.00 5.64 C ATOM 1355 CG PRO A 83 15.383 11.462 3.256 1.00 6.46 C ATOM 1356 CD PRO A 83 14.354 11.282 2.159 1.00 6.50 C ATOM 0 HA PRO A 83 16.064 8.420 2.000 1.00 4.95 H new ATOM 0 HB2 PRO A 83 16.561 9.957 4.239 1.00 5.64 H new ATOM 0 HB3 PRO A 83 17.204 10.471 2.692 1.00 5.64 H new ATOM 0 HG2 PRO A 83 14.897 11.557 4.227 1.00 6.46 H new ATOM 0 HG3 PRO A 83 15.958 12.374 3.097 1.00 6.46 H new ATOM 0 HD2 PRO A 83 13.338 11.356 2.547 1.00 6.50 H new ATOM 0 HD3 PRO A 83 14.456 12.044 1.386 1.00 6.50 H new ATOM 1364 N LEU A 84 14.756 7.028 3.416 1.00 3.60 N ATOM 1365 CA LEU A 84 14.279 6.074 4.425 1.00 3.05 C ATOM 1366 C LEU A 84 15.205 4.889 4.375 1.00 2.76 C ATOM 1367 O LEU A 84 16.009 4.627 5.269 1.00 3.30 O ATOM 1368 CB LEU A 84 12.829 5.556 4.185 1.00 3.01 C ATOM 1369 CG LEU A 84 11.677 6.574 4.216 1.00 4.01 C ATOM 1370 CD1 LEU A 84 11.708 7.406 5.488 1.00 4.57 C ATOM 1371 CD2 LEU A 84 11.671 7.456 2.973 1.00 4.67 C ATOM 0 H LEU A 84 15.152 6.580 2.590 1.00 3.60 H new ATOM 0 HA LEU A 84 14.268 6.590 5.385 1.00 3.05 H new ATOM 0 HB2 LEU A 84 12.809 5.061 3.214 1.00 3.01 H new ATOM 0 HB3 LEU A 84 12.620 4.794 4.936 1.00 3.01 H new ATOM 0 HG LEU A 84 10.745 6.009 4.215 1.00 4.01 H new ATOM 0 HD11 LEU A 84 10.881 8.116 5.479 1.00 4.57 H new ATOM 0 HD12 LEU A 84 11.614 6.751 6.354 1.00 4.57 H new ATOM 0 HD13 LEU A 84 12.651 7.949 5.545 1.00 4.57 H new ATOM 0 HD21 LEU A 84 10.843 8.162 3.032 1.00 4.67 H new ATOM 0 HD22 LEU A 84 12.611 8.004 2.911 1.00 4.67 H new ATOM 0 HD23 LEU A 84 11.555 6.834 2.086 1.00 4.67 H new ATOM 1383 N CYS A 85 15.067 4.217 3.274 1.00 2.66 N ATOM 1384 CA CYS A 85 15.905 3.111 2.877 1.00 3.24 C ATOM 1385 C CYS A 85 15.497 2.688 1.510 1.00 3.77 C ATOM 1386 O CYS A 85 16.263 2.738 0.548 1.00 4.31 O ATOM 1387 CB CYS A 85 15.841 1.935 3.850 1.00 3.79 C ATOM 1388 SG CYS A 85 16.451 0.350 3.174 1.00 4.64 S ATOM 0 H CYS A 85 14.338 4.428 2.593 1.00 2.66 H new ATOM 0 HA CYS A 85 16.943 3.444 2.885 1.00 3.24 H new ATOM 0 HB2 CYS A 85 16.423 2.184 4.738 1.00 3.79 H new ATOM 0 HB3 CYS A 85 14.808 1.803 4.172 1.00 3.79 H new ATOM 1393 N GLY A 86 14.276 2.271 1.452 1.00 4.00 N ATOM 1394 CA GLY A 86 13.673 1.944 0.185 1.00 4.75 C ATOM 1395 C GLY A 86 12.695 2.997 -0.295 1.00 4.42 C ATOM 1396 O GLY A 86 12.884 3.565 -1.369 1.00 5.13 O ATOM 0 H GLY A 86 13.669 2.146 2.262 1.00 4.00 H new ATOM 0 HA2 GLY A 86 14.457 1.817 -0.562 1.00 4.75 H new ATOM 0 HA3 GLY A 86 13.156 0.988 0.271 1.00 4.75 H new ATOM 1400 N LYS A 87 11.668 3.286 0.518 1.00 3.51 N ATOM 1401 CA LYS A 87 10.587 4.202 0.133 1.00 3.25 C ATOM 1402 C LYS A 87 9.803 4.672 1.368 1.00 2.57 C ATOM 1403 O LYS A 87 10.093 4.255 2.491 1.00 2.57 O ATOM 1404 CB LYS A 87 9.583 3.521 -0.816 1.00 3.54 C ATOM 1405 CG LYS A 87 10.161 2.875 -2.067 1.00 4.49 C ATOM 1406 CD LYS A 87 10.408 1.385 -1.882 1.00 5.19 C ATOM 1407 CE LYS A 87 11.079 0.784 -3.107 1.00 6.18 C ATOM 1408 NZ LYS A 87 11.368 -0.664 -2.943 1.00 6.95 N ATOM 0 H LYS A 87 11.565 2.894 1.454 1.00 3.51 H new ATOM 0 HA LYS A 87 11.060 5.047 -0.367 1.00 3.25 H new ATOM 0 HB2 LYS A 87 9.047 2.756 -0.254 1.00 3.54 H new ATOM 0 HB3 LYS A 87 8.847 4.264 -1.125 1.00 3.54 H new ATOM 0 HG2 LYS A 87 9.477 3.027 -2.902 1.00 4.49 H new ATOM 0 HG3 LYS A 87 11.098 3.367 -2.329 1.00 4.49 H new ATOM 0 HD2 LYS A 87 11.034 1.223 -1.005 1.00 5.19 H new ATOM 0 HD3 LYS A 87 9.462 0.877 -1.696 1.00 5.19 H new ATOM 0 HE2 LYS A 87 10.437 0.927 -3.976 1.00 6.18 H new ATOM 0 HE3 LYS A 87 12.009 1.317 -3.306 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 12.160 -0.932 -3.561 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 11.621 -0.858 -1.953 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 10.526 -1.217 -3.200 1.00 6.95 H new ATOM 1422 N ARG A 88 8.825 5.556 1.147 1.00 2.48 N ATOM 1423 CA ARG A 88 7.791 5.867 2.146 1.00 2.17 C ATOM 1424 C ARG A 88 6.516 6.339 1.438 1.00 1.70 C ATOM 1425 O ARG A 88 6.435 7.495 1.014 1.00 2.18 O ATOM 1426 CB ARG A 88 8.253 6.950 3.112 1.00 3.14 C ATOM 1427 CG ARG A 88 7.265 7.226 4.237 1.00 3.80 C ATOM 1428 CD ARG A 88 7.762 8.330 5.155 1.00 4.78 C ATOM 1429 NE ARG A 88 6.802 8.644 6.213 1.00 5.43 N ATOM 1430 CZ ARG A 88 7.031 9.526 7.187 1.00 6.34 C ATOM 1431 NH1 ARG A 88 8.191 10.170 7.248 1.00 6.69 N ATOM 1432 NH2 ARG A 88 6.093 9.772 8.093 1.00 7.15 N ATOM 0 H ARG A 88 8.726 6.076 0.275 1.00 2.48 H new ATOM 0 HA ARG A 88 7.595 4.959 2.716 1.00 2.17 H new ATOM 0 HB2 ARG A 88 9.210 6.656 3.544 1.00 3.14 H new ATOM 0 HB3 ARG A 88 8.424 7.872 2.556 1.00 3.14 H new ATOM 0 HG2 ARG A 88 6.301 7.509 3.815 1.00 3.80 H new ATOM 0 HG3 ARG A 88 7.105 6.315 4.814 1.00 3.80 H new ATOM 0 HD2 ARG A 88 8.708 8.028 5.604 1.00 4.78 H new ATOM 0 HD3 ARG A 88 7.959 9.227 4.568 1.00 4.78 H new ATOM 0 HE ARG A 88 5.904 8.160 6.205 1.00 5.43 H new ATOM 0 HH11 ARG A 88 8.911 9.991 6.548 1.00 6.69 H new ATOM 0 HH12 ARG A 88 8.362 10.844 7.995 1.00 6.69 H new ATOM 0 HH21 ARG A 88 5.197 9.287 8.044 1.00 7.15 H new ATOM 0 HH22 ARG A 88 6.268 10.446 8.838 1.00 7.15 H new ATOM 1446 N TYR A 89 5.528 5.461 1.326 1.00 1.34 N ATOM 1447 CA TYR A 89 4.325 5.740 0.536 1.00 1.31 C ATOM 1448 C TYR A 89 3.075 5.122 1.167 1.00 1.05 C ATOM 1449 O TYR A 89 3.160 4.165 1.937 1.00 1.43 O ATOM 1450 CB TYR A 89 4.486 5.224 -0.903 1.00 2.13 C ATOM 1451 CG TYR A 89 5.526 5.971 -1.715 1.00 2.67 C ATOM 1452 CD1 TYR A 89 5.486 7.353 -1.807 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.541 5.300 -2.385 1.00 2.94 C ATOM 1454 CE1 TYR A 89 6.423 8.051 -2.540 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.485 5.992 -3.124 1.00 3.68 C ATOM 1456 CZ TYR A 89 7.422 7.368 -3.196 1.00 4.27 C ATOM 1457 OH TYR A 89 8.357 8.069 -3.924 1.00 5.18 O ATOM 0 H TYR A 89 5.532 4.544 1.773 1.00 1.34 H new ATOM 0 HA TYR A 89 4.199 6.822 0.519 1.00 1.31 H new ATOM 0 HB2 TYR A 89 4.755 4.168 -0.871 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.525 5.293 -1.412 1.00 2.13 H new ATOM 0 HD1 TYR A 89 4.705 7.895 -1.294 1.00 3.40 H new ATOM 0 HD2 TYR A 89 6.594 4.223 -2.329 1.00 2.94 H new ATOM 0 HE1 TYR A 89 6.373 9.128 -2.599 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.267 5.457 -3.642 1.00 3.68 H new ATOM 0 HH TYR A 89 8.436 7.677 -4.819 1.00 5.18 H new ATOM 1467 N GLU A 90 1.922 5.683 0.814 1.00 0.79 N ATOM 1468 CA GLU A 90 0.632 5.265 1.352 1.00 0.71 C ATOM 1469 C GLU A 90 -0.400 5.125 0.239 1.00 0.53 C ATOM 1470 O GLU A 90 -0.449 5.955 -0.668 1.00 0.63 O ATOM 1471 CB GLU A 90 0.153 6.314 2.366 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.361 6.405 2.526 1.00 1.28 C ATOM 1473 CD GLU A 90 -1.776 7.512 3.477 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -2.270 8.555 3.006 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.626 7.344 4.706 1.00 2.07 O ATOM 0 H GLU A 90 1.857 6.447 0.141 1.00 0.79 H new ATOM 0 HA GLU A 90 0.748 4.295 1.836 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.594 6.088 3.337 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.532 7.290 2.064 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.817 6.577 1.551 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.743 5.452 2.893 1.00 1.28 H new ATOM 1482 N LEU A 91 -1.216 4.080 0.302 1.00 0.50 N ATOM 1483 CA LEU A 91 -2.384 4.000 -0.562 1.00 0.43 C ATOM 1484 C LEU A 91 -3.622 4.220 0.279 1.00 0.43 C ATOM 1485 O LEU A 91 -3.675 3.793 1.427 1.00 0.57 O ATOM 1486 CB LEU A 91 -2.518 2.664 -1.324 1.00 0.50 C ATOM 1487 CG LEU A 91 -1.308 2.220 -2.166 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -0.851 3.333 -3.093 1.00 1.82 C ATOM 1489 CD2 LEU A 91 -0.155 1.747 -1.287 1.00 1.02 C ATOM 0 H LEU A 91 -1.093 3.288 0.933 1.00 0.50 H new ATOM 0 HA LEU A 91 -2.265 4.771 -1.323 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.733 1.879 -0.599 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -3.383 2.734 -1.983 1.00 0.50 H new ATOM 0 HG LEU A 91 -1.630 1.375 -2.775 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.005 2.993 -3.676 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -1.665 3.603 -3.766 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.565 4.204 -2.503 1.00 1.82 H new ATOM 0 HD21 LEU A 91 0.681 1.442 -1.916 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.161 2.560 -0.633 1.00 1.02 H new ATOM 0 HD23 LEU A 91 -0.482 0.901 -0.682 1.00 1.02 H new ATOM 1501 N SER A 92 -4.605 4.903 -0.272 1.00 0.43 N ATOM 1502 CA SER A 92 -5.819 5.186 0.470 1.00 0.48 C ATOM 1503 C SER A 92 -7.041 4.953 -0.398 1.00 0.43 C ATOM 1504 O SER A 92 -7.130 5.464 -1.504 1.00 0.51 O ATOM 1505 CB SER A 92 -5.803 6.615 0.978 1.00 0.59 C ATOM 1506 OG SER A 92 -4.538 6.947 1.521 1.00 1.23 O ATOM 0 H SER A 92 -4.589 5.270 -1.223 1.00 0.43 H new ATOM 0 HA SER A 92 -5.867 4.510 1.323 1.00 0.48 H new ATOM 0 HB2 SER A 92 -6.043 7.297 0.162 1.00 0.59 H new ATOM 0 HB3 SER A 92 -6.574 6.743 1.738 1.00 0.59 H new ATOM 0 HG SER A 92 -4.425 7.920 1.515 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.984 4.193 0.109 1.00 0.52 N ATOM 1513 CA ALA A 93 -9.088 3.742 -0.706 1.00 0.54 C ATOM 1514 C ALA A 93 -10.322 4.639 -0.613 1.00 0.62 C ATOM 1515 O ALA A 93 -10.668 5.136 0.455 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.425 2.316 -0.356 1.00 0.66 C ATOM 0 H ALA A 93 -8.009 3.875 1.078 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.765 3.800 -1.745 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.258 1.977 -0.972 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.558 1.682 -0.539 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.703 2.256 0.696 1.00 0.66 H new ATOM 1522 N ARG A 94 -10.904 4.864 -1.795 1.00 0.91 N ATOM 1523 CA ARG A 94 -12.202 5.540 -2.039 1.00 1.26 C ATOM 1524 C ARG A 94 -12.556 6.772 -1.248 1.00 0.70 C ATOM 1525 O ARG A 94 -13.691 7.235 -1.349 1.00 1.17 O ATOM 1526 CB ARG A 94 -13.355 4.604 -2.033 1.00 2.35 C ATOM 1527 CG ARG A 94 -13.970 4.350 -3.410 1.00 3.37 C ATOM 1528 CD ARG A 94 -14.648 5.588 -3.978 1.00 4.38 C ATOM 1529 NE ARG A 94 -15.773 6.029 -3.156 1.00 5.11 N ATOM 1530 CZ ARG A 94 -16.295 7.254 -3.202 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -15.841 8.140 -4.084 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -17.287 7.582 -2.385 1.00 6.80 N ATOM 0 H ARG A 94 -10.463 4.565 -2.665 1.00 0.91 H new ATOM 0 HA ARG A 94 -12.005 5.926 -3.039 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -13.032 3.652 -1.612 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -14.126 5.000 -1.372 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -13.192 4.017 -4.097 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -14.697 3.542 -3.337 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -13.920 6.395 -4.057 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -14.999 5.376 -4.988 1.00 4.38 H new ATOM 0 HE ARG A 94 -16.184 5.358 -2.507 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -15.092 7.882 -4.727 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -16.242 9.077 -4.118 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -17.650 6.897 -1.722 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -17.687 8.520 -2.419 1.00 6.80 H new ATOM 1546 N MET A 95 -11.652 7.331 -0.490 1.00 0.84 N ATOM 1547 CA MET A 95 -11.670 8.779 -0.359 1.00 1.41 C ATOM 1548 C MET A 95 -12.060 9.398 -1.729 1.00 1.48 C ATOM 1549 O MET A 95 -12.653 10.477 -1.803 1.00 2.12 O ATOM 1550 CB MET A 95 -10.294 9.338 0.031 1.00 2.09 C ATOM 1551 CG MET A 95 -9.478 8.442 0.938 1.00 2.32 C ATOM 1552 SD MET A 95 -7.920 9.197 1.449 1.00 3.26 S ATOM 1553 CE MET A 95 -8.511 10.637 2.340 1.00 3.27 C ATOM 0 H MET A 95 -10.922 6.842 0.028 1.00 0.84 H new ATOM 0 HA MET A 95 -12.386 9.033 0.423 1.00 1.41 H new ATOM 0 HB2 MET A 95 -9.723 9.527 -0.878 1.00 2.09 H new ATOM 0 HB3 MET A 95 -10.435 10.300 0.525 1.00 2.09 H new ATOM 0 HG2 MET A 95 -10.065 8.197 1.823 1.00 2.32 H new ATOM 0 HG3 MET A 95 -9.270 7.504 0.423 1.00 2.32 H new ATOM 0 HE1 MET A 95 -7.746 10.970 3.041 1.00 3.27 H new ATOM 0 HE2 MET A 95 -8.729 11.438 1.633 1.00 3.27 H new ATOM 0 HE3 MET A 95 -9.418 10.379 2.887 1.00 3.27 H new ATOM 1563 N ASP A 96 -11.716 8.632 -2.785 1.00 1.26 N ATOM 1564 CA ASP A 96 -11.983 8.919 -4.192 1.00 1.45 C ATOM 1565 C ASP A 96 -11.002 8.094 -5.032 1.00 1.30 C ATOM 1566 O ASP A 96 -10.093 8.652 -5.648 1.00 1.97 O ATOM 1567 CB ASP A 96 -11.848 10.406 -4.539 1.00 1.76 C ATOM 1568 CG ASP A 96 -12.298 10.705 -5.958 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -13.377 10.216 -6.364 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -11.579 11.432 -6.676 1.00 2.86 O ATOM 0 H ASP A 96 -11.218 7.751 -2.662 1.00 1.26 H new ATOM 0 HA ASP A 96 -13.018 8.652 -4.406 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -12.440 10.996 -3.840 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -10.810 10.714 -4.416 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.178 6.749 -5.001 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.262 5.792 -5.651 1.00 0.62 C ATOM 1577 C ALA A 97 -9.125 5.454 -4.720 1.00 0.60 C ATOM 1578 O ALA A 97 -9.086 5.900 -3.577 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.692 6.275 -6.991 1.00 0.55 C ATOM 0 H ALA A 97 -11.961 6.303 -4.523 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.864 4.910 -5.871 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -9.029 5.513 -7.400 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.509 6.459 -7.689 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -9.132 7.198 -6.837 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.224 4.642 -5.217 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.059 4.244 -4.475 1.00 0.34 C ATOM 1587 C ILE A 98 -5.956 5.255 -4.690 1.00 0.32 C ATOM 1588 O ILE A 98 -5.382 5.368 -5.774 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.605 2.833 -4.876 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.717 1.852 -4.494 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.268 2.492 -4.188 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.683 1.451 -3.056 1.00 0.50 C ATOM 0 H ILE A 98 -8.281 4.238 -6.152 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.307 4.213 -3.414 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.431 2.769 -5.950 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.683 2.305 -4.715 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.634 0.960 -5.115 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -4.955 1.489 -4.479 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.508 3.212 -4.492 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.395 2.533 -3.106 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.497 0.755 -2.853 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.731 0.969 -2.835 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.796 2.335 -2.429 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.702 6.004 -3.649 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.744 7.089 -3.690 1.00 0.53 C ATOM 1606 C TYR A 99 -3.340 6.567 -3.516 1.00 0.63 C ATOM 1607 O TYR A 99 -3.105 5.652 -2.740 1.00 0.86 O ATOM 1608 CB TYR A 99 -5.028 8.108 -2.587 1.00 0.79 C ATOM 1609 CG TYR A 99 -6.130 9.089 -2.904 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -7.465 8.757 -2.721 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -5.828 10.361 -3.371 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -8.466 9.668 -2.995 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -6.822 11.273 -3.650 1.00 2.26 C ATOM 1614 CZ TYR A 99 -8.138 10.923 -3.459 1.00 2.77 C ATOM 1615 OH TYR A 99 -9.131 11.835 -3.727 1.00 3.67 O ATOM 0 H TYR A 99 -6.153 5.882 -2.743 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.838 7.571 -4.663 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -5.288 7.572 -1.674 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -4.113 8.664 -2.380 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.725 7.773 -2.359 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -4.795 10.641 -3.518 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -9.501 9.398 -2.846 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -6.569 12.257 -4.017 1.00 2.26 H new ATOM 0 HH TYR A 99 -8.730 12.671 -4.045 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.423 7.146 -4.256 1.00 0.72 N ATOM 1626 CA PHE A 100 -1.018 6.904 -4.052 1.00 0.91 C ATOM 1627 C PHE A 100 -0.402 8.167 -3.474 1.00 1.25 C ATOM 1628 O PHE A 100 -0.297 9.185 -4.163 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.342 6.528 -5.372 1.00 1.20 C ATOM 1630 CG PHE A 100 1.156 6.403 -5.292 1.00 1.73 C ATOM 1631 CD1 PHE A 100 1.968 7.172 -6.108 1.00 2.22 C ATOM 1632 CD2 PHE A 100 1.749 5.519 -4.404 1.00 2.19 C ATOM 1633 CE1 PHE A 100 3.344 7.063 -6.042 1.00 2.83 C ATOM 1634 CE2 PHE A 100 3.123 5.407 -4.333 1.00 2.91 C ATOM 1635 CZ PHE A 100 3.922 6.179 -5.153 1.00 3.12 C ATOM 0 H PHE A 100 -2.632 7.796 -5.014 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.876 6.072 -3.363 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -0.755 5.581 -5.720 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.592 7.280 -6.121 1.00 1.20 H new ATOM 0 HD1 PHE A 100 1.521 7.866 -6.805 1.00 2.22 H new ATOM 0 HD2 PHE A 100 1.129 4.912 -3.761 1.00 2.19 H new ATOM 0 HE1 PHE A 100 3.966 7.668 -6.685 1.00 2.83 H new ATOM 0 HE2 PHE A 100 3.573 4.716 -3.636 1.00 2.91 H new ATOM 0 HZ PHE A 100 4.997 6.091 -5.099 1.00 3.12 H new ATOM 1645 N LYS A 101 -0.029 8.124 -2.210 1.00 1.07 N ATOM 1646 CA LYS A 101 0.492 9.307 -1.561 1.00 1.43 C ATOM 1647 C LYS A 101 1.998 9.287 -1.535 1.00 1.37 C ATOM 1648 O LYS A 101 2.624 8.295 -1.162 1.00 1.55 O ATOM 1649 CB LYS A 101 -0.047 9.470 -0.142 1.00 2.06 C ATOM 1650 CG LYS A 101 0.372 10.788 0.499 1.00 2.92 C ATOM 1651 CD LYS A 101 -0.222 10.972 1.886 1.00 3.76 C ATOM 1652 CE LYS A 101 0.443 10.071 2.913 1.00 4.58 C ATOM 1653 NZ LYS A 101 -0.140 10.253 4.268 1.00 5.15 N ATOM 0 H LYS A 101 -0.076 7.293 -1.620 1.00 1.07 H new ATOM 0 HA LYS A 101 0.154 10.161 -2.148 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -1.135 9.410 -0.162 1.00 2.06 H new ATOM 0 HB3 LYS A 101 0.306 8.643 0.474 1.00 2.06 H new ATOM 0 HG2 LYS A 101 1.459 10.828 0.564 1.00 2.92 H new ATOM 0 HG3 LYS A 101 0.060 11.615 -0.139 1.00 2.92 H new ATOM 0 HD2 LYS A 101 -0.113 12.013 2.192 1.00 3.76 H new ATOM 0 HD3 LYS A 101 -1.290 10.759 1.854 1.00 3.76 H new ATOM 0 HE2 LYS A 101 0.335 9.030 2.608 1.00 4.58 H new ATOM 0 HE3 LYS A 101 1.511 10.284 2.946 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 0.385 9.672 4.953 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 -0.075 11.254 4.542 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 -1.138 9.961 4.259 1.00 5.15 H new ATOM 1667 N MET A 102 2.558 10.405 -1.936 1.00 1.76 N ATOM 1668 CA MET A 102 3.989 10.580 -1.990 1.00 2.21 C ATOM 1669 C MET A 102 4.404 11.617 -0.971 1.00 2.42 C ATOM 1670 O MET A 102 3.565 12.326 -0.421 1.00 2.62 O ATOM 1671 CB MET A 102 4.426 11.009 -3.390 1.00 2.82 C ATOM 1672 CG MET A 102 4.047 10.015 -4.475 1.00 3.61 C ATOM 1673 SD MET A 102 4.653 10.493 -6.105 1.00 4.57 S ATOM 1674 CE MET A 102 6.424 10.410 -5.843 1.00 5.14 C ATOM 0 H MET A 102 2.029 11.224 -2.236 1.00 1.76 H new ATOM 0 HA MET A 102 4.473 9.631 -1.760 1.00 2.21 H new ATOM 0 HB2 MET A 102 3.978 11.975 -3.621 1.00 2.82 H new ATOM 0 HB3 MET A 102 5.507 11.148 -3.398 1.00 2.82 H new ATOM 0 HG2 MET A 102 4.446 9.034 -4.218 1.00 3.61 H new ATOM 0 HG3 MET A 102 2.962 9.919 -4.510 1.00 3.61 H new ATOM 0 HE1 MET A 102 6.929 10.307 -6.803 1.00 5.14 H new ATOM 0 HE2 MET A 102 6.762 11.322 -5.351 1.00 5.14 H new ATOM 0 HE3 MET A 102 6.659 9.550 -5.215 1.00 5.14 H new ATOM 1684 N ASP A 103 5.687 11.673 -0.683 1.00 2.92 N ATOM 1685 CA ASP A 103 6.205 12.689 0.212 1.00 3.46 C ATOM 1686 C ASP A 103 6.343 13.993 -0.540 1.00 3.62 C ATOM 1687 O ASP A 103 6.364 13.987 -1.774 1.00 3.77 O ATOM 1688 CB ASP A 103 7.562 12.300 0.732 1.00 4.39 C ATOM 1689 CG ASP A 103 7.732 12.573 2.208 1.00 5.03 C ATOM 1690 OD1 ASP A 103 7.550 11.636 3.013 1.00 5.64 O ATOM 1691 OD2 ASP A 103 8.053 13.722 2.569 1.00 5.25 O ATOM 0 H ASP A 103 6.388 11.031 -1.053 1.00 2.92 H new ATOM 0 HA ASP A 103 5.514 12.794 1.048 1.00 3.46 H new ATOM 0 HB2 ASP A 103 7.726 11.239 0.544 1.00 4.39 H new ATOM 0 HB3 ASP A 103 8.327 12.844 0.178 1.00 4.39 H new ATOM 1696 N GLU A 104 6.511 15.086 0.203 1.00 4.02 N ATOM 1697 CA GLU A 104 6.581 16.436 -0.327 1.00 4.43 C ATOM 1698 C GLU A 104 5.317 16.863 -1.096 1.00 4.28 C ATOM 1699 O GLU A 104 4.889 18.016 -1.006 1.00 4.73 O ATOM 1700 CB GLU A 104 7.804 16.575 -1.202 1.00 4.95 C ATOM 1701 CG GLU A 104 9.025 15.818 -0.698 1.00 5.34 C ATOM 1702 CD GLU A 104 10.126 15.742 -1.733 1.00 6.03 C ATOM 1703 OE1 GLU A 104 10.116 14.805 -2.554 1.00 6.26 O ATOM 1704 OE2 GLU A 104 11.011 16.626 -1.732 1.00 6.61 O ATOM 0 H GLU A 104 6.604 15.050 1.218 1.00 4.02 H new ATOM 0 HA GLU A 104 6.652 17.108 0.528 1.00 4.43 H new ATOM 0 HB2 GLU A 104 7.561 16.223 -2.204 1.00 4.95 H new ATOM 0 HB3 GLU A 104 8.056 17.632 -1.288 1.00 4.95 H new ATOM 0 HG2 GLU A 104 9.407 16.306 0.199 1.00 5.34 H new ATOM 0 HG3 GLU A 104 8.730 14.809 -0.411 1.00 5.34 H new ATOM 1711 N ARG A 105 4.726 15.940 -1.838 1.00 3.93 N ATOM 1712 CA ARG A 105 3.583 16.248 -2.697 1.00 3.96 C ATOM 1713 C ARG A 105 2.315 15.537 -2.208 1.00 3.41 C ATOM 1714 O ARG A 105 2.392 14.515 -1.530 1.00 3.35 O ATOM 1715 CB ARG A 105 3.901 15.848 -4.143 1.00 4.49 C ATOM 1716 CG ARG A 105 4.134 14.360 -4.335 1.00 4.98 C ATOM 1717 CD ARG A 105 4.541 14.038 -5.763 1.00 5.81 C ATOM 1718 NE ARG A 105 5.828 14.636 -6.117 1.00 6.29 N ATOM 1719 CZ ARG A 105 6.588 14.220 -7.130 1.00 7.10 C ATOM 1720 NH1 ARG A 105 6.186 13.219 -7.903 1.00 7.50 N ATOM 1721 NH2 ARG A 105 7.748 14.815 -7.376 1.00 7.74 N ATOM 0 H ARG A 105 5.018 14.963 -1.865 1.00 3.93 H new ATOM 0 HA ARG A 105 3.397 17.321 -2.655 1.00 3.96 H new ATOM 0 HB2 ARG A 105 3.078 16.162 -4.785 1.00 4.49 H new ATOM 0 HB3 ARG A 105 4.788 16.390 -4.472 1.00 4.49 H new ATOM 0 HG2 ARG A 105 4.911 14.021 -3.649 1.00 4.98 H new ATOM 0 HG3 ARG A 105 3.225 13.813 -4.083 1.00 4.98 H new ATOM 0 HD2 ARG A 105 4.598 12.957 -5.888 1.00 5.81 H new ATOM 0 HD3 ARG A 105 3.774 14.398 -6.448 1.00 5.81 H new ATOM 0 HE ARG A 105 6.164 15.418 -5.555 1.00 6.29 H new ATOM 0 HH11 ARG A 105 5.291 12.764 -7.723 1.00 7.50 H new ATOM 0 HH12 ARG A 105 6.772 12.905 -8.677 1.00 7.50 H new ATOM 0 HH21 ARG A 105 8.058 15.590 -6.790 1.00 7.74 H new ATOM 0 HH22 ARG A 105 8.330 14.497 -8.151 1.00 7.74 H new ATOM 1735 N PRO A 106 1.129 16.085 -2.541 1.00 3.33 N ATOM 1736 CA PRO A 106 -0.165 15.534 -2.102 1.00 3.10 C ATOM 1737 C PRO A 106 -0.511 14.200 -2.774 1.00 2.43 C ATOM 1738 O PRO A 106 -0.003 13.880 -3.850 1.00 2.29 O ATOM 1739 CB PRO A 106 -1.166 16.615 -2.523 1.00 3.53 C ATOM 1740 CG PRO A 106 -0.517 17.305 -3.668 1.00 4.00 C ATOM 1741 CD PRO A 106 0.955 17.297 -3.367 1.00 3.83 C ATOM 0 HA PRO A 106 -0.164 15.313 -1.035 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -2.121 16.178 -2.814 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -1.368 17.308 -1.706 1.00 3.53 H new ATOM 0 HG2 PRO A 106 -0.728 16.790 -4.605 1.00 4.00 H new ATOM 0 HG3 PRO A 106 -0.889 18.324 -3.773 1.00 4.00 H new ATOM 0 HD2 PRO A 106 1.551 17.251 -4.278 1.00 3.83 H new ATOM 0 HD3 PRO A 106 1.260 18.196 -2.831 1.00 3.83 H new ATOM 1749 N PRO A 107 -1.389 13.407 -2.128 1.00 2.31 N ATOM 1750 CA PRO A 107 -1.820 12.095 -2.636 1.00 1.85 C ATOM 1751 C PRO A 107 -2.615 12.189 -3.934 1.00 1.51 C ATOM 1752 O PRO A 107 -3.481 13.050 -4.084 1.00 1.80 O ATOM 1753 CB PRO A 107 -2.710 11.551 -1.513 1.00 2.23 C ATOM 1754 CG PRO A 107 -3.165 12.755 -0.768 1.00 2.91 C ATOM 1755 CD PRO A 107 -2.029 13.733 -0.842 1.00 2.93 C ATOM 0 HA PRO A 107 -0.965 11.463 -2.876 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -3.555 10.992 -1.914 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -2.157 10.871 -0.865 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -4.069 13.171 -1.212 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -3.402 12.508 0.267 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -2.383 14.764 -0.818 1.00 2.93 H new ATOM 0 HD3 PRO A 107 -1.339 13.613 -0.007 1.00 2.93 H new ATOM 1763 N GLN A 108 -2.325 11.287 -4.863 1.00 1.09 N ATOM 1764 CA GLN A 108 -2.999 11.271 -6.157 1.00 0.94 C ATOM 1765 C GLN A 108 -3.771 9.973 -6.363 1.00 0.70 C ATOM 1766 O GLN A 108 -3.281 8.896 -6.034 1.00 0.64 O ATOM 1767 CB GLN A 108 -1.985 11.438 -7.289 1.00 1.18 C ATOM 1768 CG GLN A 108 -0.777 10.522 -7.156 1.00 1.72 C ATOM 1769 CD GLN A 108 0.212 10.676 -8.292 1.00 2.15 C ATOM 1770 OE1 GLN A 108 0.136 9.970 -9.299 1.00 2.57 O ATOM 1771 NE2 GLN A 108 1.140 11.605 -8.142 1.00 2.71 N ATOM 0 H GLN A 108 -1.625 10.554 -4.745 1.00 1.09 H new ATOM 0 HA GLN A 108 -3.703 12.103 -6.170 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -2.478 11.241 -8.241 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -1.646 12.474 -7.314 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -0.273 10.730 -6.212 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.116 9.487 -7.115 1.00 1.72 H new ATOM 0 HE21 GLN A 108 1.166 12.167 -7.291 1.00 2.71 H new ATOM 0 HE22 GLN A 108 1.830 11.760 -8.877 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.002 10.066 -6.886 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.801 8.893 -7.278 1.00 0.55 C ATOM 1782 C PRO A 109 -5.082 8.035 -8.318 1.00 0.56 C ATOM 1783 O PRO A 109 -5.109 8.345 -9.511 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.049 9.517 -7.899 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.149 10.858 -7.271 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.733 11.325 -7.117 1.00 0.91 C ATOM 0 HA PRO A 109 -6.002 8.232 -6.435 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -6.957 9.593 -8.983 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.936 8.917 -7.695 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -7.724 11.543 -7.894 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.653 10.805 -6.306 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.378 11.842 -8.008 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.623 12.017 -6.282 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.460 6.954 -7.874 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.632 6.149 -8.759 1.00 0.61 C ATOM 1796 C LEU A 110 -4.361 4.914 -9.250 1.00 0.51 C ATOM 1797 O LEU A 110 -4.000 4.342 -10.281 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.337 5.730 -8.056 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.373 4.892 -8.906 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -0.762 5.733 -10.016 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -0.285 4.273 -8.041 1.00 1.61 C ATOM 0 H LEU A 110 -4.512 6.615 -6.913 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.394 6.770 -9.622 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -1.816 6.628 -7.724 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.595 5.162 -7.162 1.00 0.83 H new ATOM 0 HG LEU A 110 -1.943 4.084 -9.364 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -0.082 5.118 -10.606 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -1.554 6.118 -10.659 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -0.212 6.567 -9.580 1.00 1.89 H new ATOM 0 HD21 LEU A 110 0.386 3.684 -8.666 1.00 1.61 H new ATOM 0 HD22 LEU A 110 0.280 5.063 -7.547 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.741 3.628 -7.290 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.400 4.518 -8.548 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.029 3.248 -8.817 1.00 0.48 C ATOM 1815 C ASN A 111 -7.416 3.322 -8.273 1.00 0.42 C ATOM 1816 O ASN A 111 -7.803 4.353 -7.761 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.259 2.097 -8.142 1.00 0.60 C ATOM 1818 CG ASN A 111 -4.941 0.967 -9.098 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -4.711 1.184 -10.285 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -4.941 -0.252 -8.588 1.00 1.75 N ATOM 0 H ASN A 111 -5.824 5.055 -7.791 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.036 3.050 -9.889 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.331 2.484 -7.722 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.848 1.709 -7.311 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -4.745 -1.055 -9.186 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -5.137 -0.390 -7.597 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.160 2.264 -8.382 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.427 2.181 -7.714 1.00 0.60 C ATOM 1829 C LYS A 112 -9.772 0.743 -7.502 1.00 0.72 C ATOM 1830 O LYS A 112 -9.428 -0.123 -8.302 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.533 2.816 -8.515 1.00 0.72 C ATOM 1832 CG LYS A 112 -11.834 3.006 -7.751 1.00 1.33 C ATOM 1833 CD LYS A 112 -12.907 3.619 -8.634 1.00 1.68 C ATOM 1834 CE LYS A 112 -14.222 3.776 -7.889 1.00 2.31 C ATOM 1835 NZ LYS A 112 -15.282 4.363 -8.749 1.00 2.93 N ATOM 0 H LYS A 112 -7.912 1.440 -8.930 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.336 2.715 -6.768 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -10.193 3.787 -8.875 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.728 2.201 -9.393 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -12.179 2.045 -7.370 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -11.661 3.647 -6.887 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -12.572 4.593 -8.992 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -13.058 2.992 -9.512 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -14.550 2.803 -7.523 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -14.071 4.411 -7.016 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -16.162 4.453 -8.202 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -14.981 5.303 -9.078 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -15.446 3.745 -9.569 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.469 0.508 -6.445 1.00 0.77 N ATOM 1850 CA TRP A 113 -10.915 -0.806 -6.123 1.00 0.97 C ATOM 1851 C TRP A 113 -12.310 -1.020 -6.646 1.00 1.02 C ATOM 1852 O TRP A 113 -13.118 -0.094 -6.736 1.00 1.12 O ATOM 1853 CB TRP A 113 -10.877 -1.058 -4.624 1.00 1.07 C ATOM 1854 CG TRP A 113 -11.607 -0.020 -3.830 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.258 1.290 -3.695 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -12.793 -0.205 -3.054 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.162 1.942 -2.909 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.117 1.043 -2.491 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -13.617 -1.300 -2.787 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -14.232 1.223 -1.675 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -14.721 -1.122 -1.975 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -15.019 0.131 -1.428 1.00 2.20 C ATOM 0 H TRP A 113 -10.748 1.225 -5.775 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.236 -1.514 -6.598 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -11.311 -2.036 -4.416 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -9.839 -1.093 -4.295 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.390 1.747 -4.146 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.135 2.933 -2.670 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -13.395 -2.270 -3.208 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -14.467 2.189 -1.253 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -15.364 -1.963 -1.759 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -15.889 0.239 -0.797 1.00 2.20 H new ATOM 1873 N ARG A 114 -12.557 -2.248 -7.005 1.00 1.34 N ATOM 1874 CA ARG A 114 -13.816 -2.663 -7.560 1.00 1.50 C ATOM 1875 C ARG A 114 -14.862 -2.835 -6.476 1.00 1.82 C ATOM 1876 O ARG A 114 -14.545 -2.820 -5.289 1.00 2.41 O ATOM 1877 CB ARG A 114 -13.608 -3.986 -8.246 1.00 1.80 C ATOM 1878 CG ARG A 114 -12.698 -3.932 -9.468 1.00 2.76 C ATOM 1879 CD ARG A 114 -13.114 -2.842 -10.443 1.00 3.56 C ATOM 1880 NE ARG A 114 -14.514 -2.955 -10.853 1.00 4.38 N ATOM 1881 CZ ARG A 114 -15.178 -1.995 -11.501 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -14.563 -0.875 -11.858 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -16.458 -2.157 -11.800 1.00 6.29 N ATOM 0 H ARG A 114 -11.877 -3.003 -6.919 1.00 1.34 H new ATOM 0 HA ARG A 114 -14.167 -1.902 -8.257 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -13.188 -4.691 -7.528 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -14.578 -4.380 -8.549 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -11.671 -3.758 -9.147 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -12.715 -4.897 -9.975 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -12.952 -1.867 -9.983 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -12.476 -2.887 -11.326 1.00 3.56 H new ATOM 0 HE ARG A 114 -15.012 -3.817 -10.631 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -13.576 -0.743 -11.638 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -15.077 -0.146 -12.353 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -16.939 -3.017 -11.535 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -16.963 -1.422 -12.295 1.00 6.29 H new ATOM 1897 N SER A 115 -16.088 -3.065 -6.908 1.00 2.02 N ATOM 1898 CA SER A 115 -17.223 -3.216 -6.014 1.00 2.76 C ATOM 1899 C SER A 115 -18.492 -3.387 -6.840 1.00 3.19 C ATOM 1900 O SER A 115 -18.931 -2.399 -7.473 1.00 3.60 O ATOM 1901 CB SER A 115 -17.330 -2.013 -5.083 1.00 3.33 C ATOM 1902 OG SER A 115 -18.456 -2.102 -4.225 1.00 4.01 O ATOM 1903 OXT SER A 115 -19.027 -4.514 -6.888 1.00 3.62 O ATOM 0 H SER A 115 -16.327 -3.153 -7.896 1.00 2.02 H new ATOM 0 HA SER A 115 -17.085 -4.101 -5.394 1.00 2.76 H new ATOM 0 HB2 SER A 115 -16.423 -1.937 -4.484 1.00 3.33 H new ATOM 0 HB3 SER A 115 -17.398 -1.101 -5.676 1.00 3.33 H new ATOM 0 HG SER A 115 -18.385 -2.910 -3.675 1.00 4.01 H new TER 1909 SER A 115