USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 491 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 51 GLN : amide:sc= 1.15 K(o=2.1,f=0.91) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -179:sc= 0.915 (180deg=0.911) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 180:sc= -0.0265 (180deg=-0.0211) USER MOD Set 2.2: A 47 GLN : amide:sc= -0.138 X(o=-0.16,f=-0.021) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0229 (180deg=-0.209) USER MOD Single : A 3 SER OG : rot 180:sc= 0.085 USER MOD Single : A 9 GLN : amide:sc= 1.01 K(o=1,f=-0.0026) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00925) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0924) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 1.21 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.07 USER MOD Single : A 33 SER OG : rot 78:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0.954 (180deg=0.697) USER MOD Single : A 36 SER OG : rot 75:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0.5 (180deg=0.498) USER MOD Single : A 40 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 44 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 1.11 K(o=1.1,f=-0.46) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -122:sc= -0.0621 (180deg=-0.929) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.603 10.399 11.371 1.00 0.00 N ATOM 2 CA MET A 1 -15.867 10.514 10.122 1.00 0.00 C ATOM 3 C MET A 1 -15.266 9.162 9.721 1.00 0.00 C ATOM 4 O MET A 1 -15.075 8.897 8.535 1.00 0.00 O ATOM 5 CB MET A 1 -14.798 11.609 10.266 1.00 0.00 C ATOM 6 CG MET A 1 -14.158 12.005 8.927 1.00 0.00 C ATOM 7 SD MET A 1 -15.279 12.755 7.715 1.00 0.00 S ATOM 8 CE MET A 1 -14.144 12.990 6.331 1.00 0.00 C ATOM 0 H1 MET A 1 -17.167 11.260 11.522 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.235 9.574 11.327 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.934 10.281 12.158 1.00 0.00 H new ATOM 0 HA MET A 1 -16.544 10.803 9.318 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.249 12.491 10.722 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.020 11.262 10.945 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.346 12.704 9.126 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.712 11.116 8.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.677 13.445 5.496 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.326 13.642 6.638 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.742 12.025 6.022 1.00 0.00 H new ATOM 18 N ALA A 2 -15.000 8.294 10.703 1.00 0.00 N ATOM 19 CA ALA A 2 -14.464 6.952 10.494 1.00 0.00 C ATOM 20 C ALA A 2 -15.195 6.231 9.357 1.00 0.00 C ATOM 21 O ALA A 2 -14.566 5.698 8.446 1.00 0.00 O ATOM 22 CB ALA A 2 -14.552 6.155 11.798 1.00 0.00 C ATOM 0 H ALA A 2 -15.156 8.514 11.687 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.418 7.036 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.152 5.154 11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.974 6.659 12.572 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.594 6.084 12.111 1.00 0.00 H new ATOM 28 N SER A 3 -16.530 6.253 9.390 1.00 0.00 N ATOM 29 CA SER A 3 -17.377 5.710 8.346 1.00 0.00 C ATOM 30 C SER A 3 -16.986 6.249 6.968 1.00 0.00 C ATOM 31 O SER A 3 -16.827 5.482 6.023 1.00 0.00 O ATOM 32 CB SER A 3 -18.832 6.053 8.684 1.00 0.00 C ATOM 33 OG SER A 3 -19.020 5.920 10.084 1.00 0.00 O ATOM 0 H SER A 3 -17.055 6.660 10.164 1.00 0.00 H new ATOM 0 HA SER A 3 -17.252 4.628 8.300 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.063 7.070 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.510 5.390 8.147 1.00 0.00 H new ATOM 0 HG SER A 3 -19.948 6.139 10.312 1.00 0.00 H new ATOM 39 N VAL A 4 -16.812 7.567 6.853 1.00 0.00 N ATOM 40 CA VAL A 4 -16.465 8.209 5.596 1.00 0.00 C ATOM 41 C VAL A 4 -15.085 7.731 5.151 1.00 0.00 C ATOM 42 O VAL A 4 -14.914 7.324 4.004 1.00 0.00 O ATOM 43 CB VAL A 4 -16.529 9.739 5.729 1.00 0.00 C ATOM 44 CG1 VAL A 4 -16.167 10.415 4.401 1.00 0.00 C ATOM 45 CG2 VAL A 4 -17.930 10.180 6.171 1.00 0.00 C ATOM 0 H VAL A 4 -16.909 8.216 7.634 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.189 7.930 4.830 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.805 10.043 6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -16.219 11.497 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -15.156 10.129 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -16.869 10.099 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -17.958 11.266 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -18.663 9.858 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -18.166 9.730 7.136 1.00 0.00 H new ATOM 55 N LEU A 5 -14.105 7.749 6.060 1.00 0.00 N ATOM 56 CA LEU A 5 -12.779 7.224 5.755 1.00 0.00 C ATOM 57 C LEU A 5 -12.889 5.795 5.212 1.00 0.00 C ATOM 58 O LEU A 5 -12.299 5.480 4.181 1.00 0.00 O ATOM 59 CB LEU A 5 -11.854 7.281 6.981 1.00 0.00 C ATOM 60 CG LEU A 5 -11.665 8.691 7.566 1.00 0.00 C ATOM 61 CD1 LEU A 5 -10.719 8.612 8.769 1.00 0.00 C ATOM 62 CD2 LEU A 5 -11.100 9.682 6.540 1.00 0.00 C ATOM 0 H LEU A 5 -14.208 8.119 7.005 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.332 7.855 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.257 6.630 7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.878 6.881 6.704 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.647 9.058 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.580 9.608 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.147 7.955 9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.755 8.216 8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.986 10.661 7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.129 9.331 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.783 9.759 5.694 1.00 0.00 H new ATOM 74 N GLU A 6 -13.673 4.944 5.880 1.00 0.00 N ATOM 75 CA GLU A 6 -13.888 3.575 5.444 1.00 0.00 C ATOM 76 C GLU A 6 -14.511 3.534 4.043 1.00 0.00 C ATOM 77 O GLU A 6 -14.028 2.803 3.186 1.00 0.00 O ATOM 78 CB GLU A 6 -14.723 2.806 6.480 1.00 0.00 C ATOM 79 CG GLU A 6 -14.807 1.304 6.166 1.00 0.00 C ATOM 80 CD GLU A 6 -13.436 0.633 6.181 1.00 0.00 C ATOM 81 OE1 GLU A 6 -12.983 0.292 7.296 1.00 0.00 O ATOM 82 OE2 GLU A 6 -12.852 0.492 5.084 1.00 0.00 O ATOM 0 H GLU A 6 -14.172 5.190 6.735 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.922 3.075 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.286 2.944 7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.729 3.224 6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.455 0.818 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.267 1.164 5.188 1.00 0.00 H new ATOM 89 N GLU A 7 -15.570 4.310 3.794 1.00 0.00 N ATOM 90 CA GLU A 7 -16.199 4.389 2.476 1.00 0.00 C ATOM 91 C GLU A 7 -15.155 4.732 1.405 1.00 0.00 C ATOM 92 O GLU A 7 -15.008 4.015 0.414 1.00 0.00 O ATOM 93 CB GLU A 7 -17.336 5.424 2.489 1.00 0.00 C ATOM 94 CG GLU A 7 -18.541 4.956 3.320 1.00 0.00 C ATOM 95 CD GLU A 7 -19.485 6.112 3.647 1.00 0.00 C ATOM 96 OE1 GLU A 7 -20.069 6.657 2.686 1.00 0.00 O ATOM 97 OE2 GLU A 7 -19.603 6.439 4.849 1.00 0.00 O ATOM 0 H GLU A 7 -16.013 4.899 4.499 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.627 3.417 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.963 6.365 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.657 5.621 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -19.084 4.186 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.190 4.500 4.246 1.00 0.00 H new ATOM 104 N LEU A 8 -14.416 5.825 1.614 1.00 0.00 N ATOM 105 CA LEU A 8 -13.408 6.280 0.665 1.00 0.00 C ATOM 106 C LEU A 8 -12.335 5.203 0.464 1.00 0.00 C ATOM 107 O LEU A 8 -11.950 4.923 -0.669 1.00 0.00 O ATOM 108 CB LEU A 8 -12.806 7.619 1.118 1.00 0.00 C ATOM 109 CG LEU A 8 -13.836 8.756 1.237 1.00 0.00 C ATOM 110 CD1 LEU A 8 -13.188 9.937 1.966 1.00 0.00 C ATOM 111 CD2 LEU A 8 -14.342 9.229 -0.128 1.00 0.00 C ATOM 0 H LEU A 8 -14.502 6.414 2.443 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.882 6.450 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.320 7.480 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.031 7.916 0.411 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.693 8.372 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.909 10.749 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.871 9.621 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.322 10.282 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.066 10.032 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.503 9.595 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.817 8.397 -0.648 1.00 0.00 H new ATOM 123 N GLN A 9 -11.868 4.575 1.548 1.00 0.00 N ATOM 124 CA GLN A 9 -10.914 3.471 1.495 1.00 0.00 C ATOM 125 C GLN A 9 -11.460 2.309 0.654 1.00 0.00 C ATOM 126 O GLN A 9 -10.761 1.764 -0.197 1.00 0.00 O ATOM 127 CB GLN A 9 -10.581 3.022 2.924 1.00 0.00 C ATOM 128 CG GLN A 9 -9.576 1.866 2.954 1.00 0.00 C ATOM 129 CD GLN A 9 -9.181 1.517 4.385 1.00 0.00 C ATOM 130 OE1 GLN A 9 -8.040 1.720 4.787 1.00 0.00 O ATOM 131 NE2 GLN A 9 -10.115 1.001 5.176 1.00 0.00 N ATOM 0 H GLN A 9 -12.147 4.825 2.497 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.999 3.810 1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.176 3.866 3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.497 2.716 3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.009 0.991 2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.687 2.138 2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -11.056 0.842 4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.891 0.764 6.142 1.00 0.00 H new ATOM 140 N LYS A 10 -12.708 1.914 0.901 1.00 0.00 N ATOM 141 CA LYS A 10 -13.362 0.831 0.189 1.00 0.00 C ATOM 142 C LYS A 10 -13.414 1.164 -1.305 1.00 0.00 C ATOM 143 O LYS A 10 -13.029 0.344 -2.140 1.00 0.00 O ATOM 144 CB LYS A 10 -14.737 0.585 0.829 1.00 0.00 C ATOM 145 CG LYS A 10 -15.445 -0.697 0.369 1.00 0.00 C ATOM 146 CD LYS A 10 -16.247 -0.493 -0.923 1.00 0.00 C ATOM 147 CE LYS A 10 -17.141 -1.703 -1.221 1.00 0.00 C ATOM 148 NZ LYS A 10 -16.352 -2.915 -1.504 1.00 0.00 N ATOM 0 H LYS A 10 -13.297 2.347 1.613 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.806 -0.103 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.616 0.547 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.381 1.437 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.704 -1.481 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.114 -1.042 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.862 0.403 -0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.563 -0.329 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.797 -1.888 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.781 -1.480 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.994 -3.709 -1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.745 -2.748 -2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.760 -3.144 -0.680 1.00 0.00 H new ATOM 162 N ASP A 11 -13.849 2.376 -1.654 1.00 0.00 N ATOM 163 CA ASP A 11 -13.847 2.815 -3.044 1.00 0.00 C ATOM 164 C ASP A 11 -12.429 2.767 -3.630 1.00 0.00 C ATOM 165 O ASP A 11 -12.221 2.223 -4.713 1.00 0.00 O ATOM 166 CB ASP A 11 -14.472 4.209 -3.160 1.00 0.00 C ATOM 167 CG ASP A 11 -14.676 4.586 -4.624 1.00 0.00 C ATOM 168 OD1 ASP A 11 -13.651 4.819 -5.297 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.851 4.630 -5.048 1.00 0.00 O ATOM 0 H ASP A 11 -14.205 3.067 -0.993 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.457 2.130 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.428 4.229 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.828 4.943 -2.676 1.00 0.00 H new ATOM 174 N LEU A 12 -11.447 3.311 -2.901 1.00 0.00 N ATOM 175 CA LEU A 12 -10.037 3.295 -3.279 1.00 0.00 C ATOM 176 C LEU A 12 -9.585 1.867 -3.609 1.00 0.00 C ATOM 177 O LEU A 12 -8.978 1.632 -4.656 1.00 0.00 O ATOM 178 CB LEU A 12 -9.197 3.965 -2.182 1.00 0.00 C ATOM 179 CG LEU A 12 -7.682 3.962 -2.453 1.00 0.00 C ATOM 180 CD1 LEU A 12 -7.066 5.279 -1.968 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.998 2.804 -1.711 1.00 0.00 C ATOM 0 H LEU A 12 -11.619 3.784 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.888 3.876 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.531 4.996 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.386 3.458 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.531 3.844 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.993 5.272 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.525 6.113 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.240 5.390 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.928 2.821 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.163 2.911 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.417 1.857 -2.050 1.00 0.00 H new ATOM 193 N GLU A 13 -9.900 0.906 -2.734 1.00 0.00 N ATOM 194 CA GLU A 13 -9.652 -0.503 -3.002 1.00 0.00 C ATOM 195 C GLU A 13 -10.316 -0.913 -4.313 1.00 0.00 C ATOM 196 O GLU A 13 -9.631 -1.411 -5.200 1.00 0.00 O ATOM 197 CB GLU A 13 -10.141 -1.380 -1.843 1.00 0.00 C ATOM 198 CG GLU A 13 -9.180 -1.308 -0.653 1.00 0.00 C ATOM 199 CD GLU A 13 -9.769 -1.946 0.604 1.00 0.00 C ATOM 200 OE1 GLU A 13 -10.585 -2.881 0.443 1.00 0.00 O ATOM 201 OE2 GLU A 13 -9.388 -1.491 1.703 1.00 0.00 O ATOM 0 H GLU A 13 -10.331 1.088 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.576 -0.651 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.134 -1.056 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.233 -2.413 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.247 -1.810 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.935 -0.266 -0.449 1.00 0.00 H new ATOM 208 N GLU A 14 -11.632 -0.718 -4.442 1.00 0.00 N ATOM 209 CA GLU A 14 -12.356 -1.118 -5.645 1.00 0.00 C ATOM 210 C GLU A 14 -11.678 -0.588 -6.913 1.00 0.00 C ATOM 211 O GLU A 14 -11.339 -1.379 -7.794 1.00 0.00 O ATOM 212 CB GLU A 14 -13.826 -0.694 -5.572 1.00 0.00 C ATOM 213 CG GLU A 14 -14.600 -1.537 -4.551 1.00 0.00 C ATOM 214 CD GLU A 14 -16.072 -1.138 -4.488 1.00 0.00 C ATOM 215 OE1 GLU A 14 -16.330 0.066 -4.278 1.00 0.00 O ATOM 216 OE2 GLU A 14 -16.913 -2.051 -4.629 1.00 0.00 O ATOM 0 H GLU A 14 -12.215 -0.285 -3.726 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.330 -2.206 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.890 0.359 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.286 -0.797 -6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.520 -2.592 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.149 -1.420 -3.566 1.00 0.00 H new ATOM 223 N VAL A 15 -11.462 0.729 -7.012 1.00 0.00 N ATOM 224 CA VAL A 15 -10.836 1.295 -8.201 1.00 0.00 C ATOM 225 C VAL A 15 -9.466 0.655 -8.417 1.00 0.00 C ATOM 226 O VAL A 15 -9.222 0.098 -9.483 1.00 0.00 O ATOM 227 CB VAL A 15 -10.818 2.839 -8.196 1.00 0.00 C ATOM 228 CG1 VAL A 15 -9.939 3.477 -7.123 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.398 3.387 -9.564 1.00 0.00 C ATOM 0 H VAL A 15 -11.709 1.409 -6.293 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.449 1.048 -9.068 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.846 3.114 -7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.995 4.562 -7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.287 3.169 -6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.906 3.156 -7.260 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.393 4.477 -9.534 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.399 3.027 -9.809 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.102 3.048 -10.324 1.00 0.00 H new ATOM 239 N LYS A 16 -8.583 0.691 -7.415 1.00 0.00 N ATOM 240 CA LYS A 16 -7.223 0.193 -7.561 1.00 0.00 C ATOM 241 C LYS A 16 -7.233 -1.258 -8.053 1.00 0.00 C ATOM 242 O LYS A 16 -6.594 -1.589 -9.049 1.00 0.00 O ATOM 243 CB LYS A 16 -6.494 0.347 -6.219 1.00 0.00 C ATOM 244 CG LYS A 16 -4.983 0.106 -6.332 1.00 0.00 C ATOM 245 CD LYS A 16 -4.325 0.003 -4.947 1.00 0.00 C ATOM 246 CE LYS A 16 -4.617 1.199 -4.030 1.00 0.00 C ATOM 247 NZ LYS A 16 -4.199 2.476 -4.637 1.00 0.00 N ATOM 0 H LYS A 16 -8.793 1.064 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.687 0.773 -8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.669 1.349 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.916 -0.354 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.800 -0.811 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.525 0.919 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.669 -0.909 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.246 -0.090 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.684 1.235 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.100 1.062 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.367 3.251 -3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.187 2.434 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.748 2.644 -5.504 1.00 0.00 H new ATOM 261 N VAL A 17 -7.988 -2.114 -7.369 1.00 0.00 N ATOM 262 CA VAL A 17 -8.132 -3.519 -7.706 1.00 0.00 C ATOM 263 C VAL A 17 -8.629 -3.668 -9.150 1.00 0.00 C ATOM 264 O VAL A 17 -8.059 -4.444 -9.918 1.00 0.00 O ATOM 265 CB VAL A 17 -9.032 -4.192 -6.653 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.407 -5.627 -7.025 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.303 -4.246 -5.301 1.00 0.00 C ATOM 0 H VAL A 17 -8.527 -1.839 -6.548 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.172 -4.034 -7.676 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.941 -3.593 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.042 -6.051 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.945 -5.628 -7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.502 -6.226 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.945 -4.723 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.382 -4.820 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.064 -3.233 -4.976 1.00 0.00 H new ATOM 277 N LEU A 18 -9.658 -2.914 -9.550 1.00 0.00 N ATOM 278 CA LEU A 18 -10.128 -2.942 -10.930 1.00 0.00 C ATOM 279 C LEU A 18 -9.022 -2.537 -11.909 1.00 0.00 C ATOM 280 O LEU A 18 -8.825 -3.235 -12.901 1.00 0.00 O ATOM 281 CB LEU A 18 -11.378 -2.074 -11.114 1.00 0.00 C ATOM 282 CG LEU A 18 -12.639 -2.686 -10.484 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.742 -1.625 -10.477 1.00 0.00 C ATOM 284 CD2 LEU A 18 -13.140 -3.913 -11.261 1.00 0.00 C ATOM 0 H LEU A 18 -10.175 -2.282 -8.939 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.405 -3.971 -11.157 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.199 -1.093 -10.673 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.551 -1.918 -12.179 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.388 -3.011 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.646 -2.042 -10.033 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.415 -0.764 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.952 -1.312 -11.500 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.033 -4.310 -10.778 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.380 -3.623 -12.284 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.363 -4.678 -11.274 1.00 0.00 H new ATOM 296 N LEU A 19 -8.298 -1.442 -11.647 1.00 0.00 N ATOM 297 CA LEU A 19 -7.175 -1.029 -12.491 1.00 0.00 C ATOM 298 C LEU A 19 -6.155 -2.168 -12.616 1.00 0.00 C ATOM 299 O LEU A 19 -5.699 -2.476 -13.714 1.00 0.00 O ATOM 300 CB LEU A 19 -6.476 0.236 -11.958 1.00 0.00 C ATOM 301 CG LEU A 19 -7.346 1.498 -11.824 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.502 2.629 -11.225 1.00 0.00 C ATOM 303 CD2 LEU A 19 -7.964 1.976 -13.137 1.00 0.00 C ATOM 0 H LEU A 19 -8.473 -0.825 -10.854 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.586 -0.792 -13.472 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.056 0.006 -10.979 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.640 0.467 -12.618 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.178 1.228 -11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.113 3.526 -11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.137 2.330 -10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.655 2.836 -11.879 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.561 2.869 -12.954 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.172 2.209 -13.849 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.601 1.192 -13.546 1.00 0.00 H new ATOM 315 N GLU A 20 -5.788 -2.788 -11.490 1.00 0.00 N ATOM 316 CA GLU A 20 -4.831 -3.886 -11.468 1.00 0.00 C ATOM 317 C GLU A 20 -5.323 -5.079 -12.293 1.00 0.00 C ATOM 318 O GLU A 20 -4.537 -5.696 -13.007 1.00 0.00 O ATOM 319 CB GLU A 20 -4.546 -4.311 -10.021 1.00 0.00 C ATOM 320 CG GLU A 20 -3.731 -3.255 -9.262 1.00 0.00 C ATOM 321 CD GLU A 20 -3.574 -3.635 -7.793 1.00 0.00 C ATOM 322 OE1 GLU A 20 -4.549 -3.419 -7.041 1.00 0.00 O ATOM 323 OE2 GLU A 20 -2.484 -4.141 -7.450 1.00 0.00 O ATOM 0 H GLU A 20 -6.150 -2.538 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.905 -3.533 -11.922 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.489 -4.484 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.004 -5.257 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.748 -3.151 -9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.224 -2.286 -9.340 1.00 0.00 H new ATOM 330 N LYS A 21 -6.603 -5.439 -12.164 1.00 0.00 N ATOM 331 CA LYS A 21 -7.155 -6.612 -12.831 1.00 0.00 C ATOM 332 C LYS A 21 -7.543 -6.320 -14.285 1.00 0.00 C ATOM 333 O LYS A 21 -6.966 -6.884 -15.216 1.00 0.00 O ATOM 334 CB LYS A 21 -8.359 -7.136 -12.036 1.00 0.00 C ATOM 335 CG LYS A 21 -7.922 -7.745 -10.698 1.00 0.00 C ATOM 336 CD LYS A 21 -9.153 -8.245 -9.930 1.00 0.00 C ATOM 337 CE LYS A 21 -8.760 -8.974 -8.639 1.00 0.00 C ATOM 338 NZ LYS A 21 -8.070 -10.248 -8.911 1.00 0.00 N ATOM 0 H LYS A 21 -7.279 -4.927 -11.597 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.382 -7.379 -12.863 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.060 -6.321 -11.855 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.887 -7.887 -12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.230 -8.569 -10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.389 -7.001 -10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.799 -7.401 -9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.730 -8.916 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.112 -8.331 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.653 -9.166 -8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.973 -10.786 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.623 -10.803 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.126 -10.055 -9.303 1.00 0.00 H new ATOM 352 N SER A 22 -8.553 -5.466 -14.472 1.00 0.00 N ATOM 353 CA SER A 22 -9.225 -5.210 -15.743 1.00 0.00 C ATOM 354 C SER A 22 -8.376 -4.319 -16.647 1.00 0.00 C ATOM 355 O SER A 22 -8.824 -3.257 -17.073 1.00 0.00 O ATOM 356 CB SER A 22 -10.590 -4.568 -15.455 1.00 0.00 C ATOM 357 OG SER A 22 -11.343 -5.394 -14.588 1.00 0.00 O ATOM 0 H SER A 22 -8.939 -4.912 -13.707 1.00 0.00 H new ATOM 0 HA SER A 22 -9.370 -6.151 -16.274 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.450 -3.586 -15.004 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.133 -4.416 -16.388 1.00 0.00 H new ATOM 0 HG SER A 22 -12.211 -4.975 -14.409 1.00 0.00 H new ATOM 363 N THR A 23 -7.175 -4.788 -16.973 1.00 0.00 N ATOM 364 CA THR A 23 -6.063 -4.110 -17.629 1.00 0.00 C ATOM 365 C THR A 23 -6.280 -3.846 -19.122 1.00 0.00 C ATOM 366 O THR A 23 -5.352 -3.939 -19.922 1.00 0.00 O ATOM 367 CB THR A 23 -4.811 -4.958 -17.335 1.00 0.00 C ATOM 368 OG1 THR A 23 -5.157 -6.338 -17.314 1.00 0.00 O ATOM 369 CG2 THR A 23 -4.252 -4.579 -15.964 1.00 0.00 C ATOM 0 H THR A 23 -6.932 -5.756 -16.761 1.00 0.00 H new ATOM 0 HA THR A 23 -5.954 -3.102 -17.229 1.00 0.00 H new ATOM 0 HB THR A 23 -4.068 -4.774 -18.111 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.357 -6.873 -17.128 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.366 -5.178 -15.754 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.985 -3.522 -15.959 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.006 -4.766 -15.199 1.00 0.00 H new ATOM 377 N ARG A 24 -7.505 -3.481 -19.496 1.00 0.00 N ATOM 378 CA ARG A 24 -7.830 -3.028 -20.833 1.00 0.00 C ATOM 379 C ARG A 24 -7.651 -1.505 -20.872 1.00 0.00 C ATOM 380 O ARG A 24 -7.360 -0.876 -19.855 1.00 0.00 O ATOM 381 CB ARG A 24 -9.270 -3.441 -21.178 1.00 0.00 C ATOM 382 CG ARG A 24 -9.654 -4.887 -20.813 1.00 0.00 C ATOM 383 CD ARG A 24 -8.728 -5.970 -21.387 1.00 0.00 C ATOM 384 NE ARG A 24 -7.638 -6.311 -20.460 1.00 0.00 N ATOM 385 CZ ARG A 24 -6.611 -7.125 -20.743 1.00 0.00 C ATOM 386 NH1 ARG A 24 -6.545 -7.731 -21.934 1.00 0.00 N ATOM 387 NH2 ARG A 24 -5.650 -7.338 -19.837 1.00 0.00 N ATOM 0 H ARG A 24 -8.306 -3.494 -18.864 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.173 -3.482 -21.575 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.955 -2.763 -20.669 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.422 -3.303 -22.249 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.667 -4.980 -19.727 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.669 -5.076 -21.162 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.310 -6.865 -21.607 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.306 -5.624 -22.331 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.666 -5.896 -19.529 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.276 -7.574 -22.627 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.763 -8.350 -22.149 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.697 -6.880 -18.927 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.870 -7.958 -20.057 1.00 0.00 H new ATOM 401 N LYS A 25 -7.930 -0.877 -22.020 1.00 0.00 N ATOM 402 CA LYS A 25 -7.962 0.582 -22.118 1.00 0.00 C ATOM 403 C LYS A 25 -8.902 1.224 -21.081 1.00 0.00 C ATOM 404 O LYS A 25 -8.740 2.391 -20.735 1.00 0.00 O ATOM 405 CB LYS A 25 -8.316 1.018 -23.548 1.00 0.00 C ATOM 406 CG LYS A 25 -9.712 0.563 -24.003 1.00 0.00 C ATOM 407 CD LYS A 25 -10.040 1.038 -25.425 1.00 0.00 C ATOM 408 CE LYS A 25 -10.222 2.560 -25.505 1.00 0.00 C ATOM 409 NZ LYS A 25 -10.695 2.974 -26.836 1.00 0.00 N ATOM 0 H LYS A 25 -8.137 -1.360 -22.894 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.961 0.945 -21.885 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.258 2.105 -23.612 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.571 0.618 -24.236 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.769 -0.525 -23.963 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.461 0.947 -23.311 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.240 0.734 -26.100 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.951 0.547 -25.768 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.935 2.883 -24.747 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.276 3.053 -25.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.808 4.008 -26.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.002 2.686 -27.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.610 2.521 -27.036 1.00 0.00 H new ATOM 423 N ARG A 26 -9.870 0.444 -20.589 1.00 0.00 N ATOM 424 CA ARG A 26 -10.883 0.798 -19.611 1.00 0.00 C ATOM 425 C ARG A 26 -10.302 1.444 -18.341 1.00 0.00 C ATOM 426 O ARG A 26 -11.012 2.188 -17.662 1.00 0.00 O ATOM 427 CB ARG A 26 -11.688 -0.489 -19.333 1.00 0.00 C ATOM 428 CG ARG A 26 -12.824 -0.380 -18.313 1.00 0.00 C ATOM 429 CD ARG A 26 -13.940 0.597 -18.717 1.00 0.00 C ATOM 430 NE ARG A 26 -14.370 1.402 -17.567 1.00 0.00 N ATOM 431 CZ ARG A 26 -15.325 2.344 -17.606 1.00 0.00 C ATOM 432 NH1 ARG A 26 -16.036 2.547 -18.721 1.00 0.00 N ATOM 433 NH2 ARG A 26 -15.550 3.087 -16.518 1.00 0.00 N ATOM 0 H ARG A 26 -9.966 -0.525 -20.893 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.538 1.576 -20.003 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.109 -0.838 -20.276 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.995 -1.257 -18.990 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.258 -1.368 -18.162 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.409 -0.065 -17.356 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.586 1.252 -19.513 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.789 0.042 -19.116 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.909 1.233 -16.673 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.854 1.983 -19.551 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.760 3.265 -18.741 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.999 2.934 -15.673 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.273 3.807 -16.532 1.00 0.00 H new ATOM 447 N LEU A 27 -9.034 1.183 -18.003 1.00 0.00 N ATOM 448 CA LEU A 27 -8.355 1.790 -16.855 1.00 0.00 C ATOM 449 C LEU A 27 -8.621 3.294 -16.721 1.00 0.00 C ATOM 450 O LEU A 27 -9.078 3.733 -15.667 1.00 0.00 O ATOM 451 CB LEU A 27 -6.845 1.505 -16.921 1.00 0.00 C ATOM 452 CG LEU A 27 -6.417 0.266 -16.120 1.00 0.00 C ATOM 453 CD1 LEU A 27 -7.311 -0.947 -16.366 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.966 -0.090 -16.461 1.00 0.00 C ATOM 0 H LEU A 27 -8.444 0.536 -18.526 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.773 1.328 -15.960 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.554 1.372 -17.963 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.303 2.374 -16.547 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.513 0.523 -15.065 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.955 -1.788 -15.771 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.335 -0.708 -16.080 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.282 -1.212 -17.423 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.664 -0.969 -15.892 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.884 -0.302 -17.527 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.316 0.748 -16.207 1.00 0.00 H new ATOM 466 N ARG A 28 -8.336 4.089 -17.755 1.00 0.00 N ATOM 467 CA ARG A 28 -8.483 5.544 -17.665 1.00 0.00 C ATOM 468 C ARG A 28 -9.931 5.933 -17.345 1.00 0.00 C ATOM 469 O ARG A 28 -10.189 6.792 -16.498 1.00 0.00 O ATOM 470 CB ARG A 28 -7.950 6.224 -18.936 1.00 0.00 C ATOM 471 CG ARG A 28 -8.717 5.829 -20.208 1.00 0.00 C ATOM 472 CD ARG A 28 -8.072 6.351 -21.498 1.00 0.00 C ATOM 473 NE ARG A 28 -6.617 6.144 -21.560 1.00 0.00 N ATOM 474 CZ ARG A 28 -5.980 4.986 -21.792 1.00 0.00 C ATOM 475 NH1 ARG A 28 -6.631 3.819 -21.821 1.00 0.00 N ATOM 476 NH2 ARG A 28 -4.659 5.005 -21.995 1.00 0.00 N ATOM 0 H ARG A 28 -8.004 3.753 -18.659 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.876 5.906 -16.835 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.003 7.305 -18.810 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.898 5.969 -19.061 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.785 4.742 -20.259 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.736 6.209 -20.141 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.537 5.857 -22.351 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.282 7.416 -21.593 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.032 6.966 -21.411 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.639 3.793 -21.664 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.120 2.954 -22.000 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.152 5.890 -21.972 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.158 4.135 -22.173 1.00 0.00 H new ATOM 490 N ASP A 29 -10.879 5.277 -18.018 1.00 0.00 N ATOM 491 CA ASP A 29 -12.304 5.515 -17.847 1.00 0.00 C ATOM 492 C ASP A 29 -12.690 5.217 -16.402 1.00 0.00 C ATOM 493 O ASP A 29 -13.315 6.039 -15.735 1.00 0.00 O ATOM 494 CB ASP A 29 -13.108 4.634 -18.812 1.00 0.00 C ATOM 495 CG ASP A 29 -12.664 4.787 -20.261 1.00 0.00 C ATOM 496 OD1 ASP A 29 -11.621 4.181 -20.595 1.00 0.00 O ATOM 497 OD2 ASP A 29 -13.369 5.502 -21.006 1.00 0.00 O ATOM 0 H ASP A 29 -10.669 4.555 -18.707 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.530 6.557 -18.071 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.006 3.590 -18.514 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.165 4.887 -18.732 1.00 0.00 H new ATOM 502 N THR A 30 -12.293 4.038 -15.921 1.00 0.00 N ATOM 503 CA THR A 30 -12.550 3.574 -14.566 1.00 0.00 C ATOM 504 C THR A 30 -11.978 4.560 -13.554 1.00 0.00 C ATOM 505 O THR A 30 -12.707 5.022 -12.677 1.00 0.00 O ATOM 506 CB THR A 30 -11.975 2.163 -14.392 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.462 1.361 -15.442 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.400 1.511 -13.075 1.00 0.00 C ATOM 0 H THR A 30 -11.770 3.365 -16.482 1.00 0.00 H new ATOM 0 HA THR A 30 -13.624 3.521 -14.388 1.00 0.00 H new ATOM 0 HB THR A 30 -10.888 2.245 -14.394 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.904 1.489 -16.237 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.964 0.514 -13.005 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.052 2.118 -12.239 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.487 1.435 -13.041 1.00 0.00 H new ATOM 516 N LEU A 31 -10.692 4.898 -13.697 1.00 0.00 N ATOM 517 CA LEU A 31 -10.012 5.864 -12.852 1.00 0.00 C ATOM 518 C LEU A 31 -10.858 7.127 -12.775 1.00 0.00 C ATOM 519 O LEU A 31 -11.298 7.495 -11.692 1.00 0.00 O ATOM 520 CB LEU A 31 -8.594 6.118 -13.393 1.00 0.00 C ATOM 521 CG LEU A 31 -7.722 7.119 -12.611 1.00 0.00 C ATOM 522 CD1 LEU A 31 -8.069 8.588 -12.884 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.713 6.850 -11.101 1.00 0.00 C ATOM 0 H LEU A 31 -10.092 4.497 -14.417 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.894 5.485 -11.837 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.068 5.164 -13.428 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.681 6.473 -14.420 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.716 6.949 -12.994 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.413 9.232 -12.298 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.935 8.802 -13.944 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.106 8.775 -12.604 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.082 7.587 -10.604 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.729 6.921 -10.713 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.321 5.851 -10.912 1.00 0.00 H new ATOM 535 N THR A 32 -11.121 7.765 -13.919 1.00 0.00 N ATOM 536 CA THR A 32 -11.868 9.015 -13.956 1.00 0.00 C ATOM 537 C THR A 32 -13.225 8.858 -13.258 1.00 0.00 C ATOM 538 O THR A 32 -13.558 9.614 -12.340 1.00 0.00 O ATOM 539 CB THR A 32 -12.015 9.486 -15.412 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.754 9.473 -16.051 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.564 10.913 -15.476 1.00 0.00 C ATOM 0 H THR A 32 -10.823 7.429 -14.835 1.00 0.00 H new ATOM 0 HA THR A 32 -11.320 9.782 -13.409 1.00 0.00 H new ATOM 0 HB THR A 32 -12.707 8.807 -15.911 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.549 8.563 -16.352 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.658 11.220 -16.518 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.543 10.948 -14.998 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.883 11.588 -14.958 1.00 0.00 H new ATOM 549 N SER A 33 -14.003 7.861 -13.692 1.00 0.00 N ATOM 550 CA SER A 33 -15.345 7.614 -13.189 1.00 0.00 C ATOM 551 C SER A 33 -15.336 7.489 -11.667 1.00 0.00 C ATOM 552 O SER A 33 -16.098 8.167 -10.981 1.00 0.00 O ATOM 553 CB SER A 33 -15.927 6.342 -13.822 1.00 0.00 C ATOM 554 OG SER A 33 -15.971 6.449 -15.231 1.00 0.00 O ATOM 0 H SER A 33 -13.709 7.199 -14.410 1.00 0.00 H new ATOM 0 HA SER A 33 -15.974 8.461 -13.462 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.322 5.481 -13.538 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.931 6.167 -13.436 1.00 0.00 H new ATOM 0 HG SER A 33 -15.076 6.294 -15.599 1.00 0.00 H new ATOM 560 N GLU A 34 -14.495 6.598 -11.142 1.00 0.00 N ATOM 561 CA GLU A 34 -14.534 6.227 -9.738 1.00 0.00 C ATOM 562 C GLU A 34 -13.887 7.327 -8.884 1.00 0.00 C ATOM 563 O GLU A 34 -14.429 7.707 -7.849 1.00 0.00 O ATOM 564 CB GLU A 34 -13.920 4.826 -9.570 1.00 0.00 C ATOM 565 CG GLU A 34 -14.725 3.978 -8.571 1.00 0.00 C ATOM 566 CD GLU A 34 -14.288 2.512 -8.532 1.00 0.00 C ATOM 567 OE1 GLU A 34 -13.899 1.997 -9.604 1.00 0.00 O ATOM 568 OE2 GLU A 34 -14.360 1.926 -7.430 1.00 0.00 O ATOM 0 H GLU A 34 -13.773 6.118 -11.680 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.559 6.153 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.889 4.322 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.890 4.917 -9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.622 4.407 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.782 4.028 -8.832 1.00 0.00 H new ATOM 575 N LYS A 35 -12.773 7.904 -9.350 1.00 0.00 N ATOM 576 CA LYS A 35 -12.142 9.068 -8.734 1.00 0.00 C ATOM 577 C LYS A 35 -13.166 10.187 -8.520 1.00 0.00 C ATOM 578 O LYS A 35 -13.218 10.793 -7.447 1.00 0.00 O ATOM 579 CB LYS A 35 -10.967 9.527 -9.611 1.00 0.00 C ATOM 580 CG LYS A 35 -10.218 10.732 -9.039 1.00 0.00 C ATOM 581 CD LYS A 35 -9.002 11.057 -9.918 1.00 0.00 C ATOM 582 CE LYS A 35 -8.166 12.203 -9.337 1.00 0.00 C ATOM 583 NZ LYS A 35 -8.953 13.439 -9.182 1.00 0.00 N ATOM 0 H LYS A 35 -12.281 7.568 -10.178 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.755 8.800 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.269 8.699 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.340 9.778 -10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.883 11.594 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.895 10.520 -8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.379 10.168 -10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.339 11.325 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.766 11.904 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.313 12.396 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.313 14.238 -9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.492 13.619 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.611 13.334 -8.384 1.00 0.00 H new ATOM 597 N SER A 36 -14.005 10.448 -9.529 1.00 0.00 N ATOM 598 CA SER A 36 -15.086 11.413 -9.379 1.00 0.00 C ATOM 599 C SER A 36 -15.969 11.068 -8.172 1.00 0.00 C ATOM 600 O SER A 36 -16.302 11.957 -7.389 1.00 0.00 O ATOM 601 CB SER A 36 -15.903 11.526 -10.668 1.00 0.00 C ATOM 602 OG SER A 36 -15.058 11.868 -11.748 1.00 0.00 O ATOM 0 H SER A 36 -13.953 10.007 -10.447 1.00 0.00 H new ATOM 0 HA SER A 36 -14.644 12.391 -9.188 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.405 10.581 -10.874 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.680 12.281 -10.551 1.00 0.00 H new ATOM 0 HG SER A 36 -14.529 11.086 -12.010 1.00 0.00 H new ATOM 608 N LYS A 37 -16.338 9.793 -7.999 1.00 0.00 N ATOM 609 CA LYS A 37 -17.109 9.352 -6.842 1.00 0.00 C ATOM 610 C LYS A 37 -16.341 9.624 -5.548 1.00 0.00 C ATOM 611 O LYS A 37 -16.915 10.190 -4.621 1.00 0.00 O ATOM 612 CB LYS A 37 -17.519 7.873 -6.934 1.00 0.00 C ATOM 613 CG LYS A 37 -18.138 7.469 -8.277 1.00 0.00 C ATOM 614 CD LYS A 37 -19.395 8.272 -8.640 1.00 0.00 C ATOM 615 CE LYS A 37 -19.903 7.878 -10.032 1.00 0.00 C ATOM 616 NZ LYS A 37 -19.003 8.359 -11.099 1.00 0.00 N ATOM 0 H LYS A 37 -16.110 9.046 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.031 9.933 -6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.641 7.253 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.233 7.656 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.395 7.598 -9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.390 6.409 -8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.174 8.094 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.171 9.339 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.992 6.793 -10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.901 8.289 -10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.370 8.059 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.951 9.397 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.053 7.960 -10.958 1.00 0.00 H new ATOM 630 N ILE A 38 -15.053 9.257 -5.485 1.00 0.00 N ATOM 631 CA ILE A 38 -14.224 9.527 -4.308 1.00 0.00 C ATOM 632 C ILE A 38 -14.341 11.007 -3.929 1.00 0.00 C ATOM 633 O ILE A 38 -14.713 11.334 -2.801 1.00 0.00 O ATOM 634 CB ILE A 38 -12.751 9.108 -4.523 1.00 0.00 C ATOM 635 CG1 ILE A 38 -12.659 7.597 -4.792 1.00 0.00 C ATOM 636 CG2 ILE A 38 -11.886 9.452 -3.298 1.00 0.00 C ATOM 637 CD1 ILE A 38 -11.229 7.097 -5.023 1.00 0.00 C ATOM 0 H ILE A 38 -14.565 8.772 -6.238 1.00 0.00 H new ATOM 0 HA ILE A 38 -14.593 8.920 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.377 9.661 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.090 7.060 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.264 7.355 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.857 9.145 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.918 10.527 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.270 8.928 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.244 6.023 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.801 7.606 -5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.624 7.306 -4.141 1.00 0.00 H new ATOM 649 N GLU A 39 -14.045 11.902 -4.878 1.00 0.00 N ATOM 650 CA GLU A 39 -14.103 13.336 -4.623 1.00 0.00 C ATOM 651 C GLU A 39 -15.514 13.762 -4.207 1.00 0.00 C ATOM 652 O GLU A 39 -15.669 14.486 -3.226 1.00 0.00 O ATOM 653 CB GLU A 39 -13.603 14.128 -5.840 1.00 0.00 C ATOM 654 CG GLU A 39 -12.093 14.399 -5.763 1.00 0.00 C ATOM 655 CD GLU A 39 -11.240 13.136 -5.835 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.139 12.445 -4.798 1.00 0.00 O ATOM 657 OE2 GLU A 39 -10.676 12.903 -6.924 1.00 0.00 O ATOM 0 H GLU A 39 -13.764 11.654 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.438 13.563 -3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.827 13.574 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -14.139 15.075 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.810 15.065 -6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.874 14.923 -4.833 1.00 0.00 H new ATOM 664 N THR A 40 -16.534 13.317 -4.943 1.00 0.00 N ATOM 665 CA THR A 40 -17.926 13.625 -4.640 1.00 0.00 C ATOM 666 C THR A 40 -18.233 13.278 -3.184 1.00 0.00 C ATOM 667 O THR A 40 -18.668 14.142 -2.427 1.00 0.00 O ATOM 668 CB THR A 40 -18.854 12.894 -5.622 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.592 13.339 -6.935 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.336 13.147 -5.345 1.00 0.00 C ATOM 0 H THR A 40 -16.413 12.731 -5.769 1.00 0.00 H new ATOM 0 HA THR A 40 -18.101 14.694 -4.764 1.00 0.00 H new ATOM 0 HB THR A 40 -18.654 11.830 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.795 12.886 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.940 12.604 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.582 12.804 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.544 14.214 -5.425 1.00 0.00 H new ATOM 678 N GLU A 41 -17.987 12.028 -2.784 1.00 0.00 N ATOM 679 CA GLU A 41 -18.203 11.561 -1.424 1.00 0.00 C ATOM 680 C GLU A 41 -17.437 12.441 -0.437 1.00 0.00 C ATOM 681 O GLU A 41 -18.036 13.021 0.468 1.00 0.00 O ATOM 682 CB GLU A 41 -17.760 10.095 -1.307 1.00 0.00 C ATOM 683 CG GLU A 41 -18.698 9.140 -2.056 1.00 0.00 C ATOM 684 CD GLU A 41 -18.111 7.732 -2.109 1.00 0.00 C ATOM 685 OE1 GLU A 41 -17.881 7.175 -1.014 1.00 0.00 O ATOM 686 OE2 GLU A 41 -17.891 7.245 -3.240 1.00 0.00 O ATOM 0 H GLU A 41 -17.627 11.307 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.264 11.626 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.749 9.991 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.722 9.812 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.669 9.115 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -18.865 9.507 -3.069 1.00 0.00 H new ATOM 693 N LEU A 42 -16.116 12.527 -0.607 1.00 0.00 N ATOM 694 CA LEU A 42 -15.233 13.245 0.301 1.00 0.00 C ATOM 695 C LEU A 42 -15.736 14.674 0.524 1.00 0.00 C ATOM 696 O LEU A 42 -15.894 15.104 1.664 1.00 0.00 O ATOM 697 CB LEU A 42 -13.797 13.188 -0.248 1.00 0.00 C ATOM 698 CG LEU A 42 -12.792 14.105 0.470 1.00 0.00 C ATOM 699 CD1 LEU A 42 -12.623 13.729 1.946 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.434 14.007 -0.234 1.00 0.00 C ATOM 0 H LEU A 42 -15.628 12.093 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.231 12.771 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.439 12.160 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.817 13.453 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.178 15.124 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.905 14.403 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.583 13.813 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.261 12.704 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.716 14.654 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.080 12.977 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.539 14.320 -1.273 1.00 0.00 H new ATOM 712 N LYS A 43 -16.000 15.406 -0.561 1.00 0.00 N ATOM 713 CA LYS A 43 -16.444 16.784 -0.464 1.00 0.00 C ATOM 714 C LYS A 43 -17.850 16.848 0.140 1.00 0.00 C ATOM 715 O LYS A 43 -18.073 17.576 1.103 1.00 0.00 O ATOM 716 CB LYS A 43 -16.362 17.459 -1.843 1.00 0.00 C ATOM 717 CG LYS A 43 -16.339 18.990 -1.733 1.00 0.00 C ATOM 718 CD LYS A 43 -14.931 19.507 -1.392 1.00 0.00 C ATOM 719 CE LYS A 43 -14.931 21.002 -1.048 1.00 0.00 C ATOM 720 NZ LYS A 43 -15.451 21.828 -2.150 1.00 0.00 N ATOM 0 H LYS A 43 -15.911 15.059 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.786 17.336 0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.465 17.119 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.215 17.152 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.671 19.429 -2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.042 19.312 -0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.532 18.942 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.266 19.330 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.535 21.167 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.916 21.318 -0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.432 22.830 -1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.860 21.692 -2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.429 21.547 -2.363 1.00 0.00 H new ATOM 734 N ASN A 44 -18.802 16.090 -0.410 1.00 0.00 N ATOM 735 CA ASN A 44 -20.196 16.078 0.032 1.00 0.00 C ATOM 736 C ASN A 44 -20.313 15.817 1.533 1.00 0.00 C ATOM 737 O ASN A 44 -21.054 16.508 2.228 1.00 0.00 O ATOM 738 CB ASN A 44 -20.969 15.018 -0.758 1.00 0.00 C ATOM 739 CG ASN A 44 -22.401 14.872 -0.260 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.307 15.546 -0.738 1.00 0.00 O ATOM 741 ND2 ASN A 44 -22.624 13.972 0.694 1.00 0.00 N ATOM 0 H ASN A 44 -18.621 15.457 -1.189 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.624 17.062 -0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.977 15.287 -1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.457 14.059 -0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -23.570 13.827 1.048 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -21.849 13.427 1.072 1.00 0.00 H new ATOM 748 N LYS A 45 -19.588 14.816 2.036 1.00 0.00 N ATOM 749 CA LYS A 45 -19.612 14.461 3.448 1.00 0.00 C ATOM 750 C LYS A 45 -19.137 15.612 4.345 1.00 0.00 C ATOM 751 O LYS A 45 -19.483 15.632 5.524 1.00 0.00 O ATOM 752 CB LYS A 45 -18.793 13.187 3.680 1.00 0.00 C ATOM 753 CG LYS A 45 -19.436 11.938 3.052 1.00 0.00 C ATOM 754 CD LYS A 45 -20.655 11.433 3.836 1.00 0.00 C ATOM 755 CE LYS A 45 -21.061 10.043 3.325 1.00 0.00 C ATOM 756 NZ LYS A 45 -22.202 9.499 4.082 1.00 0.00 N ATOM 0 H LYS A 45 -18.970 14.232 1.473 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.647 14.266 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.794 13.323 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.674 13.028 4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.737 12.166 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.693 11.143 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.421 11.386 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.486 12.129 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.321 10.105 2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.213 9.363 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.449 8.560 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.945 9.417 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.019 10.136 3.985 1.00 0.00 H new ATOM 770 N MET A 46 -18.373 16.573 3.810 1.00 0.00 N ATOM 771 CA MET A 46 -18.063 17.805 4.521 1.00 0.00 C ATOM 772 C MET A 46 -19.177 18.821 4.248 1.00 0.00 C ATOM 773 O MET A 46 -19.872 19.260 5.163 1.00 0.00 O ATOM 774 CB MET A 46 -16.685 18.333 4.095 1.00 0.00 C ATOM 775 CG MET A 46 -15.570 17.351 4.474 1.00 0.00 C ATOM 776 SD MET A 46 -13.899 17.923 4.074 1.00 0.00 S ATOM 777 CE MET A 46 -12.939 16.536 4.719 1.00 0.00 C ATOM 0 H MET A 46 -17.959 16.513 2.880 1.00 0.00 H new ATOM 0 HA MET A 46 -18.014 17.622 5.594 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.674 18.500 3.018 1.00 0.00 H new ATOM 0 HB3 MET A 46 -16.500 19.297 4.569 1.00 0.00 H new ATOM 0 HG2 MET A 46 -15.626 17.152 5.544 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.748 16.404 3.964 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.877 16.721 4.556 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.128 16.428 5.787 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.231 15.621 4.204 1.00 0.00 H new ATOM 787 N GLN A 47 -19.363 19.185 2.977 1.00 0.00 N ATOM 788 CA GLN A 47 -20.342 20.169 2.534 1.00 0.00 C ATOM 789 C GLN A 47 -21.759 19.582 2.545 1.00 0.00 C ATOM 790 O GLN A 47 -22.444 19.590 1.521 1.00 0.00 O ATOM 791 CB GLN A 47 -19.970 20.671 1.130 1.00 0.00 C ATOM 792 CG GLN A 47 -18.565 21.288 1.068 1.00 0.00 C ATOM 793 CD GLN A 47 -18.316 22.025 -0.249 1.00 0.00 C ATOM 794 OE1 GLN A 47 -17.728 23.100 -0.263 1.00 0.00 O ATOM 795 NE2 GLN A 47 -18.747 21.460 -1.375 1.00 0.00 N ATOM 0 H GLN A 47 -18.819 18.790 2.210 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.331 21.010 3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.028 19.841 0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.701 21.413 0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.437 21.981 1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.819 20.502 1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -19.234 20.565 -1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.590 21.923 -2.270 1.00 0.00 H new ATOM 804 N GLN A 48 -22.234 19.120 3.705 1.00 0.00 N ATOM 805 CA GLN A 48 -23.565 18.546 3.844 1.00 0.00 C ATOM 806 C GLN A 48 -24.626 19.654 3.867 1.00 0.00 C ATOM 807 O GLN A 48 -25.313 19.852 4.868 1.00 0.00 O ATOM 808 CB GLN A 48 -23.646 17.672 5.105 1.00 0.00 C ATOM 809 CG GLN A 48 -22.673 16.489 5.067 1.00 0.00 C ATOM 810 CD GLN A 48 -22.906 15.542 6.243 1.00 0.00 C ATOM 811 OE1 GLN A 48 -24.043 15.216 6.566 1.00 0.00 O ATOM 812 NE2 GLN A 48 -21.844 15.085 6.899 1.00 0.00 N ATOM 0 H GLN A 48 -21.700 19.136 4.574 1.00 0.00 H new ATOM 0 HA GLN A 48 -23.763 17.909 2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.433 18.285 5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.663 17.297 5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.794 15.946 4.130 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -21.648 16.858 5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -20.907 15.369 6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -21.966 14.450 7.688 1.00 0.00 H new ATOM 821 N LYS A 49 -24.768 20.384 2.760 1.00 0.00 N ATOM 822 CA LYS A 49 -25.779 21.419 2.623 1.00 0.00 C ATOM 823 C LYS A 49 -27.160 20.766 2.556 1.00 0.00 C ATOM 824 O LYS A 49 -28.043 21.076 3.356 1.00 0.00 O ATOM 825 CB LYS A 49 -25.476 22.270 1.380 1.00 0.00 C ATOM 826 CG LYS A 49 -26.456 23.443 1.243 1.00 0.00 C ATOM 827 CD LYS A 49 -26.089 24.300 0.027 1.00 0.00 C ATOM 828 CE LYS A 49 -27.071 25.467 -0.119 1.00 0.00 C ATOM 829 NZ LYS A 49 -26.736 26.308 -1.282 1.00 0.00 N ATOM 0 H LYS A 49 -24.181 20.269 1.934 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.767 22.085 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -24.457 22.652 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.530 21.645 0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -27.473 23.066 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.434 24.052 2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -25.074 24.682 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -26.104 23.688 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -28.084 25.081 -0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -27.056 26.073 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -27.419 27.089 -1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -25.778 26.695 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -26.775 25.734 -2.148 1.00 0.00 H new ATOM 843 N SER A 50 -27.348 19.856 1.599 1.00 0.00 N ATOM 844 CA SER A 50 -28.635 19.282 1.237 1.00 0.00 C ATOM 845 C SER A 50 -29.144 18.221 2.218 1.00 0.00 C ATOM 846 O SER A 50 -29.613 17.165 1.797 1.00 0.00 O ATOM 847 CB SER A 50 -28.503 18.711 -0.180 1.00 0.00 C ATOM 848 OG SER A 50 -27.758 19.615 -0.980 1.00 0.00 O ATOM 0 H SER A 50 -26.579 19.489 1.038 1.00 0.00 H new ATOM 0 HA SER A 50 -29.386 20.071 1.278 1.00 0.00 H new ATOM 0 HB2 SER A 50 -28.007 17.741 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 50 -29.490 18.551 -0.614 1.00 0.00 H new ATOM 0 HG SER A 50 -27.670 19.253 -1.886 1.00 0.00 H new ATOM 854 N GLN A 51 -29.067 18.498 3.520 1.00 0.00 N ATOM 855 CA GLN A 51 -29.709 17.687 4.542 1.00 0.00 C ATOM 856 C GLN A 51 -31.182 18.098 4.622 1.00 0.00 C ATOM 857 O GLN A 51 -31.616 19.014 3.923 1.00 0.00 O ATOM 858 CB GLN A 51 -29.010 17.916 5.888 1.00 0.00 C ATOM 859 CG GLN A 51 -27.563 17.411 5.880 1.00 0.00 C ATOM 860 CD GLN A 51 -26.894 17.676 7.226 1.00 0.00 C ATOM 861 OE1 GLN A 51 -27.155 16.978 8.199 1.00 0.00 O ATOM 862 NE2 GLN A 51 -26.053 18.701 7.309 1.00 0.00 N ATOM 0 H GLN A 51 -28.553 19.297 3.892 1.00 0.00 H new ATOM 0 HA GLN A 51 -29.639 16.628 4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -29.021 18.980 6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -29.566 17.408 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -27.546 16.343 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -27.004 17.906 5.086 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -25.854 19.265 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -25.606 18.924 8.199 1.00 0.00 H new ATOM 871 N LYS A 52 -31.945 17.470 5.521 1.00 0.00 N ATOM 872 CA LYS A 52 -33.315 17.866 5.815 1.00 0.00 C ATOM 873 C LYS A 52 -33.322 19.159 6.644 1.00 0.00 C ATOM 874 O LYS A 52 -33.791 19.176 7.781 1.00 0.00 O ATOM 875 CB LYS A 52 -34.037 16.718 6.535 1.00 0.00 C ATOM 876 CG LYS A 52 -34.085 15.450 5.673 1.00 0.00 C ATOM 877 CD LYS A 52 -35.058 14.386 6.207 1.00 0.00 C ATOM 878 CE LYS A 52 -34.701 13.857 7.603 1.00 0.00 C ATOM 879 NZ LYS A 52 -35.229 14.712 8.682 1.00 0.00 N ATOM 0 H LYS A 52 -31.623 16.669 6.065 1.00 0.00 H new ATOM 0 HA LYS A 52 -33.851 18.070 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -33.529 16.501 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -35.052 17.027 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -34.375 15.720 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -33.085 15.021 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -36.062 14.809 6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -35.084 13.550 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.096 12.847 7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -33.617 13.788 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -34.444 15.041 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -35.716 15.532 8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -35.899 14.167 9.260 1.00 0.00 H new ATOM 893 N LYS A 53 -32.794 20.246 6.076 1.00 0.00 N ATOM 894 CA LYS A 53 -32.805 21.560 6.698 1.00 0.00 C ATOM 895 C LYS A 53 -34.266 21.993 6.901 1.00 0.00 C ATOM 896 O LYS A 53 -35.014 22.011 5.923 1.00 0.00 O ATOM 897 CB LYS A 53 -32.056 22.558 5.801 1.00 0.00 C ATOM 898 CG LYS A 53 -30.553 22.264 5.642 1.00 0.00 C ATOM 899 CD LYS A 53 -29.786 22.437 6.964 1.00 0.00 C ATOM 900 CE LYS A 53 -28.274 22.590 6.745 1.00 0.00 C ATOM 901 NZ LYS A 53 -27.672 21.394 6.133 1.00 0.00 N ATOM 0 H LYS A 53 -32.343 20.232 5.161 1.00 0.00 H new ATOM 0 HA LYS A 53 -32.304 21.530 7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -32.520 22.561 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -32.177 23.560 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -30.420 21.246 5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -30.132 22.930 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -30.165 23.313 7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -29.973 21.575 7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -28.088 23.454 6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -27.789 22.789 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -26.648 21.539 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -27.840 20.569 6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -28.102 21.227 5.201 1.00 0.00 H new ATOM 915 N PRO A 54 -34.700 22.321 8.132 1.00 0.00 N ATOM 916 CA PRO A 54 -36.055 22.778 8.402 1.00 0.00 C ATOM 917 C PRO A 54 -36.499 23.889 7.445 1.00 0.00 C ATOM 918 O PRO A 54 -35.789 24.878 7.274 1.00 0.00 O ATOM 919 CB PRO A 54 -36.044 23.263 9.854 1.00 0.00 C ATOM 920 CG PRO A 54 -34.976 22.379 10.494 1.00 0.00 C ATOM 921 CD PRO A 54 -33.947 22.223 9.374 1.00 0.00 C ATOM 0 HA PRO A 54 -36.773 21.972 8.249 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -35.791 24.321 9.926 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -37.015 23.135 10.331 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -34.543 22.845 11.379 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -35.382 21.417 10.807 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -33.184 23.000 9.432 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -33.432 21.265 9.446 1.00 0.00 H new ATOM 929 N GLU A 55 -37.675 23.727 6.833 1.00 0.00 N ATOM 930 CA GLU A 55 -38.268 24.685 5.910 1.00 0.00 C ATOM 931 C GLU A 55 -37.241 25.230 4.913 1.00 0.00 C ATOM 932 O GLU A 55 -37.608 25.937 3.976 1.00 0.00 O ATOM 933 CB GLU A 55 -38.962 25.815 6.690 1.00 0.00 C ATOM 934 CG GLU A 55 -39.849 25.307 7.838 1.00 0.00 C ATOM 935 CD GLU A 55 -40.846 24.244 7.383 1.00 0.00 C ATOM 936 OE1 GLU A 55 -41.935 24.646 6.919 1.00 0.00 O ATOM 937 OE2 GLU A 55 -40.493 23.050 7.499 1.00 0.00 O ATOM 0 H GLU A 55 -38.254 22.899 6.974 1.00 0.00 H new ATOM 0 HA GLU A 55 -39.022 24.164 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -38.204 26.486 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -39.571 26.401 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -39.218 24.895 8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -40.392 26.147 8.272 1.00 0.00 H new TER 944 GLU A 55