USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 hydrogens (21 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 64 HIS : no HD1:sc= -1.74 K(o=-1.3,f=-1.8) USER MOD Set 1.2: A 79 THR OG1 : rot 143:sc= 0.481 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0182 (180deg=-0.233) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.2) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc=-0.00294 (180deg=-0.134) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -0.0314 (180deg=-0.213) USER MOD Single : A 13 TYR OH : rot 151:sc= 0 USER MOD Single : A 15 MET CE :methyl 139:sc= -0.0611 (180deg=-0.937) USER MOD Single : A 22 SER OG : rot -27:sc= 0.216 USER MOD Single : A 24 LYS NZ :NH3+ -106:sc= 0.0877 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.0521 X(o=0.052,f=0) USER MOD Single : A 32 THR OG1 : rot -141:sc= 0.182 USER MOD Single : A 41 ASN : amide:sc= 0.4 K(o=0.4,f=-3.3!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -5.63! C(o=-5.6!,f=-6.5!) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 0.76 (180deg=0.096) USER MOD Single : A 49 MET CE :methyl -145:sc= -1.05 (180deg=-2.63!) USER MOD Single : A 51 TYR OH : rot 121:sc= 0.195 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc=0.000392 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -123:sc= 0.345 (180deg=0.0473) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0534 F(o=-0.98!,f=-0.053) USER MOD Single : A 77 SER OG : rot -85:sc= 0.334 USER MOD Single : A 82 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.13) USER MOD Single : A 84 LYS NZ :NH3+ -158:sc= -0.931 (180deg=-1.67!) USER MOD Single : A 87 SER OG : rot 76:sc= 1.2 USER MOD Single : A 101 PNS O33 : rot -152:sc= -0.656 USER MOD Single : A 101 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.406 9.903 -4.222 1.00 0.00 N ATOM 2 CA MET A 1 12.814 8.550 -4.630 1.00 0.00 C ATOM 3 C MET A 1 13.508 7.839 -3.449 1.00 0.00 C ATOM 4 O MET A 1 14.734 7.857 -3.321 1.00 0.00 O ATOM 5 CB MET A 1 13.704 8.625 -5.909 1.00 0.00 C ATOM 6 CG MET A 1 12.987 9.193 -7.153 1.00 0.00 C ATOM 7 SD MET A 1 14.074 9.351 -8.594 1.00 0.00 S ATOM 8 CE MET A 1 15.223 10.630 -8.076 1.00 0.00 C ATOM 0 H1 MET A 1 11.753 10.297 -4.929 1.00 0.00 H new ATOM 0 H2 MET A 1 11.930 9.858 -3.299 1.00 0.00 H new ATOM 0 H3 MET A 1 13.246 10.512 -4.149 1.00 0.00 H new ATOM 0 HA MET A 1 11.940 7.953 -4.892 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.576 9.242 -5.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.070 7.625 -6.141 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.148 8.545 -7.408 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.572 10.171 -6.910 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.789 10.982 -8.939 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.669 11.462 -7.641 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.909 10.223 -7.333 1.00 0.00 H new ATOM 20 N ASP A 2 12.686 7.271 -2.553 1.00 0.00 N ATOM 21 CA ASP A 2 13.136 6.490 -1.389 1.00 0.00 C ATOM 22 C ASP A 2 12.394 5.160 -1.403 1.00 0.00 C ATOM 23 O ASP A 2 11.206 5.117 -1.038 1.00 0.00 O ATOM 24 CB ASP A 2 12.837 7.231 -0.057 1.00 0.00 C ATOM 25 CG ASP A 2 13.644 8.526 0.137 1.00 0.00 C ATOM 26 OD1 ASP A 2 14.882 8.445 0.269 1.00 0.00 O ATOM 27 OD2 ASP A 2 13.038 9.626 0.162 1.00 0.00 O ATOM 0 H ASP A 2 11.671 7.343 -2.618 1.00 0.00 H new ATOM 0 HA ASP A 2 14.214 6.343 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.774 7.469 -0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.045 6.558 0.775 1.00 0.00 H new ATOM 32 N GLY A 3 13.078 4.100 -1.843 1.00 0.00 N ATOM 33 CA GLY A 3 12.471 2.781 -2.008 1.00 0.00 C ATOM 34 C GLY A 3 11.894 2.240 -0.704 1.00 0.00 C ATOM 35 O GLY A 3 10.668 2.108 -0.579 1.00 0.00 O ATOM 0 H GLY A 3 14.066 4.134 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.680 2.839 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 3 13.219 2.085 -2.388 1.00 0.00 H new ATOM 39 N GLU A 4 12.784 2.006 0.289 1.00 0.00 N ATOM 40 CA GLU A 4 12.429 1.386 1.586 1.00 0.00 C ATOM 41 C GLU A 4 11.362 2.195 2.342 1.00 0.00 C ATOM 42 O GLU A 4 10.519 1.616 3.038 1.00 0.00 O ATOM 43 CB GLU A 4 13.703 1.212 2.468 1.00 0.00 C ATOM 44 CG GLU A 4 14.360 2.542 2.925 1.00 0.00 C ATOM 45 CD GLU A 4 15.564 2.357 3.869 1.00 0.00 C ATOM 46 OE1 GLU A 4 15.406 1.707 4.923 1.00 0.00 O ATOM 47 OE2 GLU A 4 16.671 2.856 3.571 1.00 0.00 O ATOM 0 H GLU A 4 13.773 2.243 0.212 1.00 0.00 H new ATOM 0 HA GLU A 4 12.002 0.406 1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.441 0.630 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.438 0.632 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.684 3.096 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.609 3.152 3.427 1.00 0.00 H new ATOM 54 N GLU A 5 11.384 3.535 2.188 1.00 0.00 N ATOM 55 CA GLU A 5 10.449 4.408 2.891 1.00 0.00 C ATOM 56 C GLU A 5 9.031 4.274 2.324 1.00 0.00 C ATOM 57 O GLU A 5 8.095 4.260 3.104 1.00 0.00 O ATOM 58 CB GLU A 5 10.915 5.873 2.907 1.00 0.00 C ATOM 59 CG GLU A 5 12.248 6.099 3.660 1.00 0.00 C ATOM 60 CD GLU A 5 12.460 7.561 4.111 1.00 0.00 C ATOM 61 OE1 GLU A 5 12.613 8.446 3.250 1.00 0.00 O ATOM 62 OE2 GLU A 5 12.473 7.823 5.332 1.00 0.00 O ATOM 0 H GLU A 5 12.041 4.026 1.582 1.00 0.00 H new ATOM 0 HA GLU A 5 10.426 4.078 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.026 6.220 1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.140 6.485 3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.277 5.449 4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.075 5.802 3.015 1.00 0.00 H new ATOM 69 N VAL A 6 8.873 4.127 0.984 1.00 0.00 N ATOM 70 CA VAL A 6 7.535 3.891 0.369 1.00 0.00 C ATOM 71 C VAL A 6 6.869 2.652 1.006 1.00 0.00 C ATOM 72 O VAL A 6 5.690 2.702 1.378 1.00 0.00 O ATOM 73 CB VAL A 6 7.617 3.726 -1.197 1.00 0.00 C ATOM 74 CG1 VAL A 6 6.275 3.254 -1.824 1.00 0.00 C ATOM 75 CG2 VAL A 6 8.090 5.039 -1.867 1.00 0.00 C ATOM 0 H VAL A 6 9.641 4.166 0.314 1.00 0.00 H new ATOM 0 HA VAL A 6 6.925 4.773 0.567 1.00 0.00 H new ATOM 0 HB VAL A 6 8.352 2.944 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.392 3.158 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.996 2.289 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.495 3.984 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.138 4.899 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.387 5.839 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.078 5.304 -1.491 1.00 0.00 H new ATOM 85 N LYS A 7 7.662 1.584 1.185 1.00 0.00 N ATOM 86 CA LYS A 7 7.199 0.359 1.852 1.00 0.00 C ATOM 87 C LYS A 7 6.754 0.647 3.306 1.00 0.00 C ATOM 88 O LYS A 7 5.588 0.427 3.653 1.00 0.00 O ATOM 89 CB LYS A 7 8.284 -0.772 1.816 1.00 0.00 C ATOM 90 CG LYS A 7 8.319 -1.599 0.499 1.00 0.00 C ATOM 91 CD LYS A 7 9.091 -0.897 -0.649 1.00 0.00 C ATOM 92 CE LYS A 7 10.613 -1.005 -0.500 1.00 0.00 C ATOM 93 NZ LYS A 7 11.097 -2.381 -0.683 1.00 0.00 N ATOM 0 H LYS A 7 8.633 1.545 0.875 1.00 0.00 H new ATOM 0 HA LYS A 7 6.333 0.000 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.264 -0.321 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.109 -1.451 2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.780 -2.566 0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.297 -1.794 0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.793 -1.335 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.808 0.155 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.094 -0.353 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.905 -0.648 0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.131 -2.374 -0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.841 -2.952 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.661 -2.792 -1.533 1.00 0.00 H new ATOM 107 N GLU A 8 7.678 1.164 4.135 1.00 0.00 N ATOM 108 CA GLU A 8 7.435 1.330 5.589 1.00 0.00 C ATOM 109 C GLU A 8 6.347 2.383 5.902 1.00 0.00 C ATOM 110 O GLU A 8 5.745 2.328 6.973 1.00 0.00 O ATOM 111 CB GLU A 8 8.786 1.590 6.335 1.00 0.00 C ATOM 112 CG GLU A 8 9.458 2.981 6.146 1.00 0.00 C ATOM 113 CD GLU A 8 8.865 4.100 7.036 1.00 0.00 C ATOM 114 OE1 GLU A 8 8.738 3.884 8.261 1.00 0.00 O ATOM 115 OE2 GLU A 8 8.545 5.187 6.516 1.00 0.00 O ATOM 0 H GLU A 8 8.600 1.475 3.829 1.00 0.00 H new ATOM 0 HA GLU A 8 7.024 0.396 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.615 1.442 7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.497 0.827 6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.523 2.889 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.366 3.277 5.101 1.00 0.00 H new ATOM 122 N LYS A 9 6.112 3.309 4.962 1.00 0.00 N ATOM 123 CA LYS A 9 5.039 4.324 5.058 1.00 0.00 C ATOM 124 C LYS A 9 3.658 3.682 4.848 1.00 0.00 C ATOM 125 O LYS A 9 2.725 3.925 5.630 1.00 0.00 O ATOM 126 CB LYS A 9 5.253 5.451 4.019 1.00 0.00 C ATOM 127 CG LYS A 9 6.392 6.433 4.355 1.00 0.00 C ATOM 128 CD LYS A 9 6.613 7.493 3.250 1.00 0.00 C ATOM 129 CE LYS A 9 7.743 8.463 3.613 1.00 0.00 C ATOM 130 NZ LYS A 9 7.458 9.200 4.875 1.00 0.00 N ATOM 0 H LYS A 9 6.662 3.380 4.106 1.00 0.00 H new ATOM 0 HA LYS A 9 5.079 4.754 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.458 4.998 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.325 6.014 3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.167 6.936 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.315 5.874 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.849 6.995 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.691 8.052 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.676 7.910 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.885 9.176 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.135 9.982 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.491 9.581 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.549 8.552 5.683 1.00 0.00 H new ATOM 144 N ILE A 10 3.526 2.888 3.771 1.00 0.00 N ATOM 145 CA ILE A 10 2.254 2.230 3.425 1.00 0.00 C ATOM 146 C ILE A 10 1.878 1.215 4.520 1.00 0.00 C ATOM 147 O ILE A 10 0.734 1.222 4.993 1.00 0.00 O ATOM 148 CB ILE A 10 2.331 1.548 2.009 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.591 2.629 0.906 1.00 0.00 C ATOM 150 CG2 ILE A 10 1.050 0.725 1.692 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.851 2.076 -0.489 1.00 0.00 C ATOM 0 H ILE A 10 4.288 2.686 3.123 1.00 0.00 H new ATOM 0 HA ILE A 10 1.471 2.987 3.371 1.00 0.00 H new ATOM 0 HB ILE A 10 3.165 0.846 2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.730 3.295 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.447 3.234 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.144 0.271 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.925 -0.057 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.182 1.384 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.019 2.901 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.732 1.434 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.988 1.497 -0.817 1.00 0.00 H new ATOM 163 N ARG A 11 2.887 0.420 4.987 1.00 0.00 N ATOM 164 CA ARG A 11 2.678 -0.605 6.032 1.00 0.00 C ATOM 165 C ARG A 11 2.320 0.058 7.352 1.00 0.00 C ATOM 166 O ARG A 11 1.597 -0.520 8.168 1.00 0.00 O ATOM 167 CB ARG A 11 3.893 -1.592 6.172 1.00 0.00 C ATOM 168 CG ARG A 11 5.162 -1.155 6.973 1.00 0.00 C ATOM 169 CD ARG A 11 5.038 -1.284 8.514 1.00 0.00 C ATOM 170 NE ARG A 11 6.341 -1.505 9.177 1.00 0.00 N ATOM 171 CZ ARG A 11 7.309 -0.592 9.373 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.166 0.664 8.964 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.430 -0.961 9.982 1.00 0.00 N ATOM 0 H ARG A 11 3.848 0.477 4.650 1.00 0.00 H new ATOM 0 HA ARG A 11 1.838 -1.226 5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.518 -2.506 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.218 -1.852 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.009 -1.755 6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.390 -0.118 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.581 -0.379 8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.369 -2.111 8.752 1.00 0.00 H new ATOM 0 HE ARG A 11 6.525 -2.447 9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.309 0.952 8.491 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.913 1.340 9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.548 -1.925 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.173 -0.280 10.138 1.00 0.00 H new ATOM 187 N ARG A 12 2.844 1.280 7.538 1.00 0.00 N ATOM 188 CA ARG A 12 2.603 2.084 8.729 1.00 0.00 C ATOM 189 C ARG A 12 1.123 2.440 8.794 1.00 0.00 C ATOM 190 O ARG A 12 0.478 2.212 9.805 1.00 0.00 O ATOM 191 CB ARG A 12 3.460 3.380 8.699 1.00 0.00 C ATOM 192 CG ARG A 12 4.177 3.730 10.007 1.00 0.00 C ATOM 193 CD ARG A 12 5.248 2.683 10.409 1.00 0.00 C ATOM 194 NE ARG A 12 6.611 3.266 10.344 1.00 0.00 N ATOM 195 CZ ARG A 12 7.190 3.994 11.319 1.00 0.00 C ATOM 196 NH1 ARG A 12 6.559 4.255 12.454 1.00 0.00 N ATOM 197 NH2 ARG A 12 8.398 4.494 11.132 1.00 0.00 N ATOM 0 H ARG A 12 3.451 1.734 6.856 1.00 0.00 H new ATOM 0 HA ARG A 12 2.886 1.511 9.612 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.207 3.282 7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.815 4.215 8.425 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.651 4.706 9.905 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.441 3.815 10.807 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.050 2.324 11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.185 1.820 9.746 1.00 0.00 H new ATOM 0 HE ARG A 12 7.152 3.103 9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.614 3.903 12.605 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.018 4.808 13.177 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.888 4.328 10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.841 5.046 11.867 1.00 0.00 H new ATOM 211 N TYR A 13 0.605 2.966 7.667 1.00 0.00 N ATOM 212 CA TYR A 13 -0.782 3.446 7.558 1.00 0.00 C ATOM 213 C TYR A 13 -1.802 2.311 7.742 1.00 0.00 C ATOM 214 O TYR A 13 -2.949 2.552 8.151 1.00 0.00 O ATOM 215 CB TYR A 13 -0.980 4.120 6.198 1.00 0.00 C ATOM 216 CG TYR A 13 -2.305 4.878 6.075 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.555 6.008 6.862 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.295 4.479 5.177 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.735 6.708 6.752 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.471 5.174 5.075 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.692 6.288 5.854 1.00 0.00 C ATOM 222 OH TYR A 13 -5.885 6.970 5.741 1.00 0.00 O ATOM 0 H TYR A 13 1.141 3.069 6.805 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.954 4.165 8.359 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.157 4.813 6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.931 3.362 5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.808 6.337 7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.132 3.612 4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.909 7.580 7.365 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.229 4.846 4.379 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.228 6.880 4.828 1.00 0.00 H new ATOM 232 N ILE A 14 -1.380 1.077 7.421 1.00 0.00 N ATOM 233 CA ILE A 14 -2.209 -0.115 7.641 1.00 0.00 C ATOM 234 C ILE A 14 -2.395 -0.344 9.159 1.00 0.00 C ATOM 235 O ILE A 14 -3.452 -0.784 9.605 1.00 0.00 O ATOM 236 CB ILE A 14 -1.587 -1.375 6.941 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.348 -1.088 5.421 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.483 -2.631 7.123 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.394 -2.042 4.738 1.00 0.00 C ATOM 0 H ILE A 14 -0.468 0.881 7.008 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.189 0.047 7.191 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.629 -1.582 7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.307 -1.123 4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.964 -0.073 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.020 -3.483 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.594 -2.848 8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.464 -2.444 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.291 -1.765 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.580 -1.992 5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.783 -3.058 4.808 1.00 0.00 H new ATOM 251 N MET A 15 -1.352 -0.014 9.932 1.00 0.00 N ATOM 252 CA MET A 15 -1.375 -0.086 11.404 1.00 0.00 C ATOM 253 C MET A 15 -2.064 1.158 12.025 1.00 0.00 C ATOM 254 O MET A 15 -2.717 1.053 13.070 1.00 0.00 O ATOM 255 CB MET A 15 0.082 -0.214 11.929 1.00 0.00 C ATOM 256 CG MET A 15 0.885 -1.339 11.260 1.00 0.00 C ATOM 257 SD MET A 15 2.587 -1.478 11.843 1.00 0.00 S ATOM 258 CE MET A 15 2.337 -1.947 13.549 1.00 0.00 C ATOM 0 H MET A 15 -0.462 0.313 9.554 1.00 0.00 H new ATOM 0 HA MET A 15 -1.954 -0.960 11.701 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.600 0.732 11.772 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.057 -0.388 13.005 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.375 -2.287 11.432 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.894 -1.173 10.183 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.062 -2.713 13.826 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.469 -1.075 14.189 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.328 -2.340 13.674 1.00 0.00 H new ATOM 268 N GLU A 16 -1.888 2.334 11.374 1.00 0.00 N ATOM 269 CA GLU A 16 -2.366 3.641 11.887 1.00 0.00 C ATOM 270 C GLU A 16 -3.890 3.781 11.752 1.00 0.00 C ATOM 271 O GLU A 16 -4.597 4.069 12.724 1.00 0.00 O ATOM 272 CB GLU A 16 -1.681 4.836 11.140 1.00 0.00 C ATOM 273 CG GLU A 16 -0.137 4.896 11.212 1.00 0.00 C ATOM 274 CD GLU A 16 0.438 4.651 12.622 1.00 0.00 C ATOM 275 OE1 GLU A 16 0.299 5.537 13.494 1.00 0.00 O ATOM 276 OE2 GLU A 16 1.028 3.568 12.867 1.00 0.00 O ATOM 0 H GLU A 16 -1.409 2.402 10.476 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.096 3.673 12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.973 4.796 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.079 5.766 11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.277 4.154 10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.195 5.873 10.861 1.00 0.00 H new ATOM 283 N ASP A 17 -4.368 3.612 10.522 1.00 0.00 N ATOM 284 CA ASP A 17 -5.761 3.895 10.145 1.00 0.00 C ATOM 285 C ASP A 17 -6.579 2.613 9.908 1.00 0.00 C ATOM 286 O ASP A 17 -7.648 2.442 10.512 1.00 0.00 O ATOM 287 CB ASP A 17 -5.741 4.769 8.878 1.00 0.00 C ATOM 288 CG ASP A 17 -7.134 5.107 8.318 1.00 0.00 C ATOM 289 OD1 ASP A 17 -7.846 5.920 8.937 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.506 4.580 7.250 1.00 0.00 O ATOM 0 H ASP A 17 -3.798 3.272 9.747 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.250 4.417 10.967 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.217 5.698 9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.167 4.256 8.106 1.00 0.00 H new ATOM 295 N LEU A 18 -6.070 1.724 9.027 1.00 0.00 N ATOM 296 CA LEU A 18 -6.827 0.545 8.528 1.00 0.00 C ATOM 297 C LEU A 18 -7.181 -0.444 9.654 1.00 0.00 C ATOM 298 O LEU A 18 -8.332 -0.876 9.772 1.00 0.00 O ATOM 299 CB LEU A 18 -6.031 -0.186 7.414 1.00 0.00 C ATOM 300 CG LEU A 18 -5.580 0.689 6.196 1.00 0.00 C ATOM 301 CD1 LEU A 18 -4.959 -0.177 5.089 1.00 0.00 C ATOM 302 CD2 LEU A 18 -6.729 1.556 5.646 1.00 0.00 C ATOM 0 H LEU A 18 -5.129 1.799 8.641 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.762 0.924 8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.143 -0.631 7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.643 -1.006 7.038 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.813 1.371 6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.656 0.458 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.088 -0.700 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.693 -0.904 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.369 2.145 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.545 0.913 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.087 2.225 6.429 1.00 0.00 H new ATOM 314 N ILE A 19 -6.182 -0.786 10.468 1.00 0.00 N ATOM 315 CA ILE A 19 -6.339 -1.713 11.605 1.00 0.00 C ATOM 316 C ILE A 19 -6.023 -0.955 12.911 1.00 0.00 C ATOM 317 O ILE A 19 -5.412 0.121 12.875 1.00 0.00 O ATOM 318 CB ILE A 19 -5.358 -2.943 11.468 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.280 -3.477 10.000 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.730 -4.095 12.443 1.00 0.00 C ATOM 321 CD1 ILE A 19 -4.164 -4.488 9.775 1.00 0.00 C ATOM 0 H ILE A 19 -5.232 -0.429 10.362 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.363 -2.087 11.617 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.370 -2.573 11.742 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.233 -3.937 9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.137 -2.634 9.323 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.030 -4.920 12.315 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.680 -3.733 13.470 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.741 -4.441 12.229 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.172 -4.813 8.735 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.203 -4.026 10.004 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.317 -5.349 10.426 1.00 0.00 H new ATOM 333 N GLY A 20 -6.443 -1.517 14.053 1.00 0.00 N ATOM 334 CA GLY A 20 -6.116 -0.978 15.372 1.00 0.00 C ATOM 335 C GLY A 20 -5.279 -1.965 16.199 1.00 0.00 C ATOM 336 O GLY A 20 -4.068 -2.061 15.981 1.00 0.00 O ATOM 0 H GLY A 20 -7.019 -2.358 14.084 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.567 -0.043 15.257 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.036 -0.744 15.907 1.00 0.00 H new ATOM 340 N PRO A 21 -5.899 -2.761 17.134 1.00 0.00 N ATOM 341 CA PRO A 21 -5.145 -3.639 18.073 1.00 0.00 C ATOM 342 C PRO A 21 -4.607 -4.936 17.406 1.00 0.00 C ATOM 343 O PRO A 21 -3.682 -5.568 17.925 1.00 0.00 O ATOM 344 CB PRO A 21 -6.202 -3.929 19.174 1.00 0.00 C ATOM 345 CG PRO A 21 -7.519 -3.922 18.442 1.00 0.00 C ATOM 346 CD PRO A 21 -7.376 -2.882 17.337 1.00 0.00 C ATOM 0 HA PRO A 21 -4.236 -3.172 18.452 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.020 -4.890 19.656 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.179 -3.171 19.957 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.741 -4.905 18.027 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.338 -3.668 19.114 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.879 -3.200 16.424 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.817 -1.929 17.628 1.00 0.00 H new ATOM 354 N SER A 22 -5.175 -5.306 16.241 1.00 0.00 N ATOM 355 CA SER A 22 -4.777 -6.519 15.480 1.00 0.00 C ATOM 356 C SER A 22 -3.539 -6.253 14.590 1.00 0.00 C ATOM 357 O SER A 22 -3.044 -7.155 13.898 1.00 0.00 O ATOM 358 CB SER A 22 -5.978 -7.001 14.636 1.00 0.00 C ATOM 359 OG SER A 22 -5.734 -8.244 13.998 1.00 0.00 O ATOM 0 H SER A 22 -5.924 -4.775 15.796 1.00 0.00 H new ATOM 0 HA SER A 22 -4.493 -7.301 16.185 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.855 -7.092 15.277 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.212 -6.250 13.882 1.00 0.00 H new ATOM 0 HG SER A 22 -4.771 -8.354 13.853 1.00 0.00 H new ATOM 365 N ALA A 23 -3.032 -5.011 14.634 1.00 0.00 N ATOM 366 CA ALA A 23 -1.831 -4.593 13.925 1.00 0.00 C ATOM 367 C ALA A 23 -0.744 -4.358 14.964 1.00 0.00 C ATOM 368 O ALA A 23 -0.427 -3.218 15.329 1.00 0.00 O ATOM 369 CB ALA A 23 -2.098 -3.344 13.086 1.00 0.00 C ATOM 0 H ALA A 23 -3.460 -4.261 15.176 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.509 -5.365 13.226 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.185 -3.053 12.567 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.879 -3.556 12.356 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.421 -2.531 13.736 1.00 0.00 H new ATOM 375 N LYS A 24 -0.239 -5.473 15.497 1.00 0.00 N ATOM 376 CA LYS A 24 0.821 -5.480 16.506 1.00 0.00 C ATOM 377 C LYS A 24 2.150 -4.972 15.874 1.00 0.00 C ATOM 378 O LYS A 24 2.293 -4.985 14.645 1.00 0.00 O ATOM 379 CB LYS A 24 0.907 -6.917 17.096 1.00 0.00 C ATOM 380 CG LYS A 24 1.969 -7.152 18.188 1.00 0.00 C ATOM 381 CD LYS A 24 1.762 -6.258 19.430 1.00 0.00 C ATOM 382 CE LYS A 24 2.841 -6.485 20.502 1.00 0.00 C ATOM 383 NZ LYS A 24 2.649 -5.638 21.690 1.00 0.00 N ATOM 0 H LYS A 24 -0.559 -6.406 15.237 1.00 0.00 H new ATOM 0 HA LYS A 24 0.609 -4.798 17.330 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.068 -7.175 17.508 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.101 -7.610 16.278 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.945 -8.199 18.492 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.959 -6.964 17.772 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.770 -5.211 19.126 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.780 -6.458 19.859 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.834 -7.533 20.803 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.822 -6.284 20.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.356 -4.875 21.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.694 -5.226 21.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.761 -6.214 22.549 1.00 0.00 H new ATOM 397 N GLU A 25 3.100 -4.535 16.722 1.00 0.00 N ATOM 398 CA GLU A 25 4.276 -3.721 16.325 1.00 0.00 C ATOM 399 C GLU A 25 5.099 -4.301 15.150 1.00 0.00 C ATOM 400 O GLU A 25 5.664 -3.542 14.355 1.00 0.00 O ATOM 401 CB GLU A 25 5.167 -3.525 17.572 1.00 0.00 C ATOM 402 CG GLU A 25 4.419 -2.909 18.770 1.00 0.00 C ATOM 403 CD GLU A 25 5.276 -2.808 20.044 1.00 0.00 C ATOM 404 OE1 GLU A 25 6.179 -1.934 20.097 1.00 0.00 O ATOM 405 OE2 GLU A 25 5.075 -3.621 20.989 1.00 0.00 O ATOM 0 H GLU A 25 3.076 -4.739 17.721 1.00 0.00 H new ATOM 0 HA GLU A 25 3.898 -2.770 15.949 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.581 -4.489 17.869 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.009 -2.884 17.310 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.070 -1.913 18.497 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.535 -3.509 18.983 1.00 0.00 H new ATOM 412 N ASP A 26 5.132 -5.629 15.021 1.00 0.00 N ATOM 413 CA ASP A 26 5.991 -6.318 14.021 1.00 0.00 C ATOM 414 C ASP A 26 5.161 -7.117 12.995 1.00 0.00 C ATOM 415 O ASP A 26 5.716 -7.842 12.159 1.00 0.00 O ATOM 416 CB ASP A 26 6.980 -7.243 14.774 1.00 0.00 C ATOM 417 CG ASP A 26 7.982 -6.478 15.660 1.00 0.00 C ATOM 418 OD1 ASP A 26 7.690 -6.234 16.854 1.00 0.00 O ATOM 419 OD2 ASP A 26 9.077 -6.123 15.175 1.00 0.00 O ATOM 0 H ASP A 26 4.575 -6.263 15.594 1.00 0.00 H new ATOM 0 HA ASP A 26 6.541 -5.567 13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.415 -7.938 15.395 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.531 -7.840 14.048 1.00 0.00 H new ATOM 424 N GLU A 27 3.836 -6.930 13.029 1.00 0.00 N ATOM 425 CA GLU A 27 2.889 -7.702 12.212 1.00 0.00 C ATOM 426 C GLU A 27 2.910 -7.258 10.750 1.00 0.00 C ATOM 427 O GLU A 27 3.008 -8.093 9.848 1.00 0.00 O ATOM 428 CB GLU A 27 1.466 -7.604 12.847 1.00 0.00 C ATOM 429 CG GLU A 27 1.124 -8.706 13.895 1.00 0.00 C ATOM 430 CD GLU A 27 2.349 -9.340 14.610 1.00 0.00 C ATOM 431 OE1 GLU A 27 3.065 -8.629 15.344 1.00 0.00 O ATOM 432 OE2 GLU A 27 2.603 -10.548 14.432 1.00 0.00 O ATOM 0 H GLU A 27 3.387 -6.236 13.627 1.00 0.00 H new ATOM 0 HA GLU A 27 3.191 -8.749 12.205 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.366 -6.629 13.324 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.726 -7.645 12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.465 -8.276 14.649 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.564 -9.498 13.397 1.00 0.00 H new ATOM 439 N LEU A 28 2.818 -5.947 10.515 1.00 0.00 N ATOM 440 CA LEU A 28 2.884 -5.402 9.155 1.00 0.00 C ATOM 441 C LEU A 28 4.345 -5.213 8.742 1.00 0.00 C ATOM 442 O LEU A 28 5.097 -4.464 9.373 1.00 0.00 O ATOM 443 CB LEU A 28 2.053 -4.099 9.021 1.00 0.00 C ATOM 444 CG LEU A 28 0.510 -4.306 8.839 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.204 -5.129 7.565 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.146 -4.941 10.086 1.00 0.00 C ATOM 0 H LEU A 28 2.698 -5.245 11.245 1.00 0.00 H new ATOM 0 HA LEU A 28 2.433 -6.116 8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.219 -3.488 9.909 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.430 -3.533 8.169 1.00 0.00 H new ATOM 0 HG LEU A 28 0.068 -3.317 8.718 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.874 -5.257 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.590 -4.604 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.680 -6.107 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.215 -5.064 9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.305 -5.914 10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.008 -4.293 10.948 1.00 0.00 H new ATOM 458 N ASP A 29 4.715 -5.946 7.694 1.00 0.00 N ATOM 459 CA ASP A 29 6.072 -6.022 7.143 1.00 0.00 C ATOM 460 C ASP A 29 5.976 -6.051 5.600 1.00 0.00 C ATOM 461 O ASP A 29 4.861 -6.024 5.049 1.00 0.00 O ATOM 462 CB ASP A 29 6.754 -7.296 7.717 1.00 0.00 C ATOM 463 CG ASP A 29 8.258 -7.353 7.453 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.993 -6.506 8.006 1.00 0.00 O ATOM 465 OD2 ASP A 29 8.708 -8.232 6.695 1.00 0.00 O ATOM 0 H ASP A 29 4.052 -6.528 7.182 1.00 0.00 H new ATOM 0 HA ASP A 29 6.675 -5.158 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.580 -7.339 8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.283 -8.178 7.283 1.00 0.00 H new ATOM 470 N ASP A 30 7.131 -6.120 4.900 1.00 0.00 N ATOM 471 CA ASP A 30 7.186 -6.026 3.426 1.00 0.00 C ATOM 472 C ASP A 30 6.634 -7.297 2.746 1.00 0.00 C ATOM 473 O ASP A 30 5.982 -7.231 1.697 1.00 0.00 O ATOM 474 CB ASP A 30 8.633 -5.705 2.944 1.00 0.00 C ATOM 475 CG ASP A 30 9.612 -6.891 2.986 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.795 -7.491 4.060 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.207 -7.230 1.932 1.00 0.00 O ATOM 0 H ASP A 30 8.044 -6.242 5.338 1.00 0.00 H new ATOM 0 HA ASP A 30 6.540 -5.201 3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.584 -5.330 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.035 -4.900 3.560 1.00 0.00 H new ATOM 482 N GLN A 31 6.867 -8.445 3.387 1.00 0.00 N ATOM 483 CA GLN A 31 6.551 -9.775 2.832 1.00 0.00 C ATOM 484 C GLN A 31 5.401 -10.434 3.612 1.00 0.00 C ATOM 485 O GLN A 31 5.133 -11.625 3.450 1.00 0.00 O ATOM 486 CB GLN A 31 7.839 -10.661 2.820 1.00 0.00 C ATOM 487 CG GLN A 31 8.823 -10.331 1.674 1.00 0.00 C ATOM 488 CD GLN A 31 10.213 -10.946 1.832 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.465 -12.077 1.423 1.00 0.00 O ATOM 490 NE2 GLN A 31 11.132 -10.181 2.397 1.00 0.00 N ATOM 0 H GLN A 31 7.285 -8.484 4.317 1.00 0.00 H new ATOM 0 HA GLN A 31 6.210 -9.665 1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.356 -10.545 3.773 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.546 -11.708 2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.393 -10.675 0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.925 -9.248 1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.887 -9.247 2.725 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.086 -10.525 2.505 1.00 0.00 H new ATOM 499 N THR A 32 4.738 -9.637 4.471 1.00 0.00 N ATOM 500 CA THR A 32 3.475 -10.001 5.117 1.00 0.00 C ATOM 501 C THR A 32 2.379 -10.274 4.053 1.00 0.00 C ATOM 502 O THR A 32 2.243 -9.499 3.118 1.00 0.00 O ATOM 503 CB THR A 32 3.030 -8.850 6.067 1.00 0.00 C ATOM 504 OG1 THR A 32 4.010 -8.691 7.103 1.00 0.00 O ATOM 505 CG2 THR A 32 1.639 -9.072 6.698 1.00 0.00 C ATOM 0 H THR A 32 5.074 -8.711 4.735 1.00 0.00 H new ATOM 0 HA THR A 32 3.621 -10.912 5.697 1.00 0.00 H new ATOM 0 HB THR A 32 2.951 -7.949 5.459 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.560 -8.498 7.952 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.396 -8.231 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.890 -9.151 5.910 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.648 -9.991 7.283 1.00 0.00 H new ATOM 513 N PRO A 33 1.625 -11.406 4.157 1.00 0.00 N ATOM 514 CA PRO A 33 0.469 -11.676 3.277 1.00 0.00 C ATOM 515 C PRO A 33 -0.788 -10.879 3.728 1.00 0.00 C ATOM 516 O PRO A 33 -1.564 -11.337 4.571 1.00 0.00 O ATOM 517 CB PRO A 33 0.299 -13.209 3.413 1.00 0.00 C ATOM 518 CG PRO A 33 0.775 -13.529 4.810 1.00 0.00 C ATOM 519 CD PRO A 33 1.873 -12.524 5.114 1.00 0.00 C ATOM 0 HA PRO A 33 0.613 -11.363 2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.740 -13.506 3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.886 -13.740 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.040 -13.447 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.152 -14.550 4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.823 -12.181 6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.862 -12.959 4.970 1.00 0.00 H new ATOM 527 N LEU A 34 -0.949 -9.663 3.168 1.00 0.00 N ATOM 528 CA LEU A 34 -2.020 -8.716 3.528 1.00 0.00 C ATOM 529 C LEU A 34 -3.438 -9.292 3.252 1.00 0.00 C ATOM 530 O LEU A 34 -4.326 -9.228 4.117 1.00 0.00 O ATOM 531 CB LEU A 34 -1.813 -7.367 2.768 1.00 0.00 C ATOM 532 CG LEU A 34 -0.748 -6.359 3.355 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.670 -6.934 3.430 1.00 0.00 C ATOM 534 CD2 LEU A 34 -0.752 -5.041 2.566 1.00 0.00 C ATOM 0 H LEU A 34 -0.328 -9.307 2.441 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.958 -8.540 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.528 -7.599 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.774 -6.854 2.724 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.054 -6.168 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.345 -6.184 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.672 -7.816 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.004 -7.211 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.011 -4.362 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.509 -5.241 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.739 -4.583 2.627 1.00 0.00 H new ATOM 546 N LEU A 35 -3.644 -9.850 2.044 1.00 0.00 N ATOM 547 CA LEU A 35 -4.960 -10.394 1.636 1.00 0.00 C ATOM 548 C LEU A 35 -5.292 -11.706 2.367 1.00 0.00 C ATOM 549 O LEU A 35 -6.468 -11.996 2.585 1.00 0.00 O ATOM 550 CB LEU A 35 -5.032 -10.614 0.113 1.00 0.00 C ATOM 551 CG LEU A 35 -5.025 -9.333 -0.771 1.00 0.00 C ATOM 552 CD1 LEU A 35 -5.036 -9.703 -2.259 1.00 0.00 C ATOM 553 CD2 LEU A 35 -6.197 -8.380 -0.427 1.00 0.00 C ATOM 0 H LEU A 35 -2.919 -9.937 1.332 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.703 -9.648 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.189 -11.238 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.938 -11.177 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.103 -8.794 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.031 -8.794 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.153 -10.297 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.932 -10.281 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.151 -7.500 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.144 -8.896 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.122 -8.072 0.616 1.00 0.00 H new ATOM 565 N GLU A 36 -4.258 -12.484 2.739 1.00 0.00 N ATOM 566 CA GLU A 36 -4.432 -13.742 3.497 1.00 0.00 C ATOM 567 C GLU A 36 -4.953 -13.438 4.913 1.00 0.00 C ATOM 568 O GLU A 36 -5.729 -14.206 5.491 1.00 0.00 O ATOM 569 CB GLU A 36 -3.087 -14.503 3.572 1.00 0.00 C ATOM 570 CG GLU A 36 -3.163 -15.915 4.181 1.00 0.00 C ATOM 571 CD GLU A 36 -4.018 -16.872 3.334 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.535 -17.332 2.280 1.00 0.00 O ATOM 573 OE2 GLU A 36 -5.179 -17.152 3.701 1.00 0.00 O ATOM 0 H GLU A 36 -3.285 -12.263 2.526 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.162 -14.368 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.676 -14.581 2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.385 -13.910 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.156 -16.321 4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.580 -15.853 5.186 1.00 0.00 H new ATOM 580 N TRP A 37 -4.486 -12.300 5.451 1.00 0.00 N ATOM 581 CA TRP A 37 -4.967 -11.742 6.727 1.00 0.00 C ATOM 582 C TRP A 37 -6.363 -11.090 6.569 1.00 0.00 C ATOM 583 O TRP A 37 -7.055 -10.854 7.568 1.00 0.00 O ATOM 584 CB TRP A 37 -3.944 -10.706 7.262 1.00 0.00 C ATOM 585 CG TRP A 37 -2.651 -11.304 7.778 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.136 -12.548 7.513 1.00 0.00 C ATOM 587 CD2 TRP A 37 -1.714 -10.669 8.658 1.00 0.00 C ATOM 588 NE1 TRP A 37 -0.948 -12.716 8.171 1.00 0.00 N ATOM 589 CE2 TRP A 37 -0.670 -11.584 8.882 1.00 0.00 C ATOM 590 CE3 TRP A 37 -1.660 -9.410 9.279 1.00 0.00 C ATOM 591 CZ2 TRP A 37 0.409 -11.292 9.696 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -0.577 -9.122 10.089 1.00 0.00 C ATOM 593 CH2 TRP A 37 0.445 -10.063 10.289 1.00 0.00 C ATOM 0 H TRP A 37 -3.759 -11.737 5.010 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.064 -12.558 7.443 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.710 -10.001 6.464 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.411 -10.135 8.065 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.601 -13.287 6.877 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.364 -13.552 8.136 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.446 -8.684 9.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.197 -12.012 9.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.517 -8.159 10.575 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.279 -9.809 10.927 1.00 0.00 H new ATOM 604 N GLY A 38 -6.738 -10.768 5.313 1.00 0.00 N ATOM 605 CA GLY A 38 -8.060 -10.214 4.992 1.00 0.00 C ATOM 606 C GLY A 38 -8.257 -8.798 5.500 1.00 0.00 C ATOM 607 O GLY A 38 -9.389 -8.359 5.706 1.00 0.00 O ATOM 0 H GLY A 38 -6.133 -10.886 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.199 -10.227 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.829 -10.857 5.420 1.00 0.00 H new ATOM 611 N ILE A 39 -7.139 -8.082 5.666 1.00 0.00 N ATOM 612 CA ILE A 39 -7.103 -6.739 6.265 1.00 0.00 C ATOM 613 C ILE A 39 -7.439 -5.645 5.237 1.00 0.00 C ATOM 614 O ILE A 39 -7.634 -4.490 5.618 1.00 0.00 O ATOM 615 CB ILE A 39 -5.705 -6.452 6.919 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.562 -6.471 5.847 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.428 -7.454 8.069 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.161 -6.273 6.396 1.00 0.00 C ATOM 0 H ILE A 39 -6.220 -8.422 5.385 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.867 -6.717 7.042 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.726 -5.450 7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.597 -7.423 5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.761 -5.691 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.455 -7.241 8.511 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.202 -7.357 8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.432 -8.470 7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.442 -6.302 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.100 -5.308 6.898 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.933 -7.067 7.107 1.00 0.00 H new ATOM 630 N LEU A 40 -7.469 -6.003 3.933 1.00 0.00 N ATOM 631 CA LEU A 40 -7.711 -5.043 2.842 1.00 0.00 C ATOM 632 C LEU A 40 -9.096 -5.276 2.199 1.00 0.00 C ATOM 633 O LEU A 40 -9.215 -5.979 1.190 1.00 0.00 O ATOM 634 CB LEU A 40 -6.595 -5.135 1.765 1.00 0.00 C ATOM 635 CG LEU A 40 -5.137 -4.895 2.254 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.144 -5.004 1.085 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.995 -3.544 2.996 1.00 0.00 C ATOM 0 H LEU A 40 -7.327 -6.961 3.613 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.695 -4.041 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.643 -6.123 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.816 -4.410 0.982 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.896 -5.678 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.132 -4.833 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.207 -5.999 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.388 -4.257 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.963 -3.414 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.269 -2.730 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.653 -3.535 3.865 1.00 0.00 H new ATOM 649 N ASN A 41 -10.141 -4.728 2.843 1.00 0.00 N ATOM 650 CA ASN A 41 -11.486 -4.566 2.242 1.00 0.00 C ATOM 651 C ASN A 41 -11.412 -3.467 1.152 1.00 0.00 C ATOM 652 O ASN A 41 -10.419 -2.726 1.090 1.00 0.00 O ATOM 653 CB ASN A 41 -12.504 -4.201 3.363 1.00 0.00 C ATOM 654 CG ASN A 41 -13.965 -4.098 2.902 1.00 0.00 C ATOM 655 OD1 ASN A 41 -14.435 -3.031 2.521 1.00 0.00 O ATOM 656 ND2 ASN A 41 -14.689 -5.212 2.932 1.00 0.00 N ATOM 0 H ASN A 41 -10.081 -4.382 3.800 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.821 -5.492 1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.439 -4.951 4.151 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.210 -3.249 3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -15.664 -5.195 2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.270 -6.084 3.254 1.00 0.00 H new ATOM 663 N SER A 42 -12.424 -3.363 0.288 1.00 0.00 N ATOM 664 CA SER A 42 -12.437 -2.359 -0.791 1.00 0.00 C ATOM 665 C SER A 42 -12.689 -0.938 -0.239 1.00 0.00 C ATOM 666 O SER A 42 -12.150 0.046 -0.758 1.00 0.00 O ATOM 667 CB SER A 42 -13.493 -2.728 -1.828 1.00 0.00 C ATOM 668 OG SER A 42 -13.489 -1.825 -2.922 1.00 0.00 O ATOM 0 H SER A 42 -13.250 -3.961 0.311 1.00 0.00 H new ATOM 0 HA SER A 42 -11.456 -2.355 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.310 -3.740 -2.190 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.478 -2.730 -1.361 1.00 0.00 H new ATOM 673 N MET A 43 -13.501 -0.831 0.822 1.00 0.00 N ATOM 674 CA MET A 43 -13.688 0.443 1.547 1.00 0.00 C ATOM 675 C MET A 43 -12.434 0.784 2.374 1.00 0.00 C ATOM 676 O MET A 43 -12.246 1.925 2.777 1.00 0.00 O ATOM 677 CB MET A 43 -14.961 0.391 2.441 1.00 0.00 C ATOM 678 CG MET A 43 -16.247 0.226 1.620 1.00 0.00 C ATOM 679 SD MET A 43 -16.446 1.596 0.453 1.00 0.00 S ATOM 680 CE MET A 43 -17.501 0.887 -0.808 1.00 0.00 C ATOM 0 H MET A 43 -14.041 -1.609 1.201 1.00 0.00 H new ATOM 0 HA MET A 43 -13.833 1.238 0.815 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.874 -0.437 3.145 1.00 0.00 H new ATOM 0 HB3 MET A 43 -15.025 1.305 3.031 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.218 -0.719 1.077 1.00 0.00 H new ATOM 0 HG3 MET A 43 -17.107 0.184 2.288 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.695 1.631 -1.581 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.007 0.023 -1.252 1.00 0.00 H new ATOM 0 HE3 MET A 43 -18.444 0.575 -0.360 1.00 0.00 H new ATOM 690 N ASN A 44 -11.591 -0.225 2.609 1.00 0.00 N ATOM 691 CA ASN A 44 -10.310 -0.083 3.317 1.00 0.00 C ATOM 692 C ASN A 44 -9.187 0.293 2.317 1.00 0.00 C ATOM 693 O ASN A 44 -8.282 1.065 2.661 1.00 0.00 O ATOM 694 CB ASN A 44 -10.014 -1.419 4.039 1.00 0.00 C ATOM 695 CG ASN A 44 -8.751 -1.457 4.878 1.00 0.00 C ATOM 696 OD1 ASN A 44 -8.769 -1.124 6.055 1.00 0.00 O ATOM 697 ND2 ASN A 44 -7.647 -1.888 4.293 1.00 0.00 N ATOM 0 H ASN A 44 -11.780 -1.181 2.309 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.360 0.718 4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.861 -1.656 4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.952 -2.208 3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.779 -1.950 4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.663 -2.159 3.310 1.00 0.00 H new ATOM 704 N ILE A 45 -9.287 -0.230 1.066 1.00 0.00 N ATOM 705 CA ILE A 45 -8.224 -0.107 0.028 1.00 0.00 C ATOM 706 C ILE A 45 -8.069 1.357 -0.440 1.00 0.00 C ATOM 707 O ILE A 45 -6.966 1.804 -0.791 1.00 0.00 O ATOM 708 CB ILE A 45 -8.505 -1.055 -1.233 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.182 -1.458 -1.953 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.486 -0.431 -2.260 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.358 -2.479 -1.215 1.00 0.00 C ATOM 0 H ILE A 45 -10.105 -0.749 0.747 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.293 -0.430 0.493 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.980 -1.947 -0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.425 -1.850 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.578 -0.563 -2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.634 -1.123 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.443 -0.235 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.072 0.504 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.457 -2.701 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.080 -2.085 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.940 -3.392 -1.086 1.00 0.00 H new ATOM 723 N VAL A 46 -9.195 2.090 -0.417 1.00 0.00 N ATOM 724 CA VAL A 46 -9.273 3.480 -0.884 1.00 0.00 C ATOM 725 C VAL A 46 -8.449 4.427 0.014 1.00 0.00 C ATOM 726 O VAL A 46 -7.896 5.416 -0.478 1.00 0.00 O ATOM 727 CB VAL A 46 -10.773 3.959 -0.997 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.543 3.102 -2.045 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.489 3.940 0.385 1.00 0.00 C ATOM 0 H VAL A 46 -10.084 1.729 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.836 3.516 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.768 4.994 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.575 3.447 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.065 3.203 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.528 2.055 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.519 4.276 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.482 2.926 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.968 4.605 1.074 1.00 0.00 H new ATOM 739 N LYS A 47 -8.330 4.087 1.324 1.00 0.00 N ATOM 740 CA LYS A 47 -7.519 4.870 2.269 1.00 0.00 C ATOM 741 C LYS A 47 -6.019 4.730 1.946 1.00 0.00 C ATOM 742 O LYS A 47 -5.259 5.682 2.129 1.00 0.00 O ATOM 743 CB LYS A 47 -7.819 4.509 3.748 1.00 0.00 C ATOM 744 CG LYS A 47 -9.195 5.022 4.256 1.00 0.00 C ATOM 745 CD LYS A 47 -10.309 3.953 4.234 1.00 0.00 C ATOM 746 CE LYS A 47 -10.188 2.942 5.387 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.202 3.598 6.717 1.00 0.00 N ATOM 0 H LYS A 47 -8.788 3.276 1.741 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.799 5.916 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.782 3.426 3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.033 4.923 4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.080 5.392 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.505 5.868 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.280 4.445 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.276 3.420 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.009 2.228 5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.264 2.375 5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.490 2.909 7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.251 3.955 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.875 4.391 6.706 1.00 0.00 H new ATOM 761 N LEU A 48 -5.602 3.539 1.461 1.00 0.00 N ATOM 762 CA LEU A 48 -4.234 3.339 0.954 1.00 0.00 C ATOM 763 C LEU A 48 -3.997 4.225 -0.277 1.00 0.00 C ATOM 764 O LEU A 48 -2.988 4.910 -0.353 1.00 0.00 O ATOM 765 CB LEU A 48 -3.956 1.841 0.626 1.00 0.00 C ATOM 766 CG LEU A 48 -3.678 0.922 1.851 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.432 -0.548 1.431 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.504 1.472 2.705 1.00 0.00 C ATOM 0 H LEU A 48 -6.192 2.709 1.412 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.535 3.630 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.813 1.442 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.100 1.788 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.575 0.928 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.242 -1.153 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.311 -0.930 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.569 -0.597 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.331 0.811 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.602 1.522 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.753 2.470 3.067 1.00 0.00 H new ATOM 780 N MET A 49 -4.963 4.236 -1.208 1.00 0.00 N ATOM 781 CA MET A 49 -4.835 4.985 -2.474 1.00 0.00 C ATOM 782 C MET A 49 -4.731 6.515 -2.249 1.00 0.00 C ATOM 783 O MET A 49 -3.989 7.189 -2.968 1.00 0.00 O ATOM 784 CB MET A 49 -6.006 4.649 -3.431 1.00 0.00 C ATOM 785 CG MET A 49 -5.941 3.244 -4.043 1.00 0.00 C ATOM 786 SD MET A 49 -7.128 3.011 -5.385 1.00 0.00 S ATOM 787 CE MET A 49 -8.653 2.704 -4.502 1.00 0.00 C ATOM 0 H MET A 49 -5.845 3.734 -1.110 1.00 0.00 H new ATOM 0 HA MET A 49 -3.901 4.668 -2.938 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.945 4.752 -2.887 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.023 5.383 -4.237 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.934 3.062 -4.419 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.129 2.504 -3.265 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.256 1.984 -5.056 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.427 2.304 -3.514 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.207 3.637 -4.397 1.00 0.00 H new ATOM 797 N VAL A 50 -5.474 7.042 -1.249 1.00 0.00 N ATOM 798 CA VAL A 50 -5.450 8.486 -0.898 1.00 0.00 C ATOM 799 C VAL A 50 -4.181 8.832 -0.094 1.00 0.00 C ATOM 800 O VAL A 50 -3.719 9.977 -0.119 1.00 0.00 O ATOM 801 CB VAL A 50 -6.737 8.951 -0.104 1.00 0.00 C ATOM 802 CG1 VAL A 50 -8.030 8.635 -0.899 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.783 8.357 1.329 1.00 0.00 C ATOM 0 H VAL A 50 -6.102 6.488 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.442 9.030 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.675 10.033 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.898 8.966 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.005 9.156 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.097 7.561 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.683 8.703 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.794 7.269 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.904 8.682 1.886 1.00 0.00 H new ATOM 813 N TYR A 51 -3.645 7.831 0.627 1.00 0.00 N ATOM 814 CA TYR A 51 -2.385 7.953 1.372 1.00 0.00 C ATOM 815 C TYR A 51 -1.225 8.162 0.390 1.00 0.00 C ATOM 816 O TYR A 51 -0.538 9.172 0.427 1.00 0.00 O ATOM 817 CB TYR A 51 -2.161 6.684 2.222 1.00 0.00 C ATOM 818 CG TYR A 51 -0.881 6.718 3.066 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.812 7.502 4.224 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.252 5.971 2.716 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.336 7.552 4.990 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.398 6.023 3.480 1.00 0.00 C ATOM 823 CZ TYR A 51 1.432 6.806 4.621 1.00 0.00 C ATOM 824 OH TYR A 51 2.576 6.862 5.380 1.00 0.00 O ATOM 0 H TYR A 51 -4.078 6.911 0.708 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.434 8.813 2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.017 6.546 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.126 5.818 1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.674 8.079 4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.227 5.346 1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.373 8.173 5.873 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.268 5.454 3.189 1.00 0.00 H new ATOM 0 HH TYR A 51 2.795 5.965 5.708 1.00 0.00 H new ATOM 834 N ILE A 52 -1.071 7.188 -0.500 1.00 0.00 N ATOM 835 CA ILE A 52 -0.044 7.152 -1.555 1.00 0.00 C ATOM 836 C ILE A 52 -0.176 8.363 -2.515 1.00 0.00 C ATOM 837 O ILE A 52 0.826 8.902 -2.991 1.00 0.00 O ATOM 838 CB ILE A 52 -0.184 5.773 -2.306 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.044 4.587 -1.300 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.756 5.651 -3.532 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.651 3.298 -1.683 1.00 0.00 C ATOM 0 H ILE A 52 -1.677 6.367 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 52 0.953 7.232 -1.121 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.199 5.723 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.114 4.398 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.303 4.893 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.612 4.680 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.526 6.441 -4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.792 5.746 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.440 2.534 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.727 3.466 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.288 2.964 -2.655 1.00 0.00 H new ATOM 853 N ARG A 53 -1.428 8.784 -2.747 1.00 0.00 N ATOM 854 CA ARG A 53 -1.777 9.992 -3.536 1.00 0.00 C ATOM 855 C ARG A 53 -1.050 11.263 -3.027 1.00 0.00 C ATOM 856 O ARG A 53 -0.605 12.088 -3.829 1.00 0.00 O ATOM 857 CB ARG A 53 -3.308 10.211 -3.466 1.00 0.00 C ATOM 858 CG ARG A 53 -3.872 11.414 -4.257 1.00 0.00 C ATOM 859 CD ARG A 53 -5.273 11.810 -3.757 1.00 0.00 C ATOM 860 NE ARG A 53 -5.221 12.232 -2.338 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.259 12.330 -1.498 1.00 0.00 C ATOM 862 NH1 ARG A 53 -7.489 12.045 -1.882 1.00 0.00 N ATOM 863 NH2 ARG A 53 -6.041 12.719 -0.261 1.00 0.00 N ATOM 0 H ARG A 53 -2.246 8.291 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.454 9.824 -4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.798 9.307 -3.826 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.588 10.330 -2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.196 12.264 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.920 11.164 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.667 12.621 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.956 10.967 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.303 12.472 -1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.667 11.741 -2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.262 12.128 -1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.093 12.940 0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.820 12.799 0.393 1.00 0.00 H new ATOM 877 N ASP A 54 -0.957 11.408 -1.691 1.00 0.00 N ATOM 878 CA ASP A 54 -0.359 12.592 -1.034 1.00 0.00 C ATOM 879 C ASP A 54 1.136 12.375 -0.745 1.00 0.00 C ATOM 880 O ASP A 54 1.990 13.174 -1.143 1.00 0.00 O ATOM 881 CB ASP A 54 -1.107 12.895 0.296 1.00 0.00 C ATOM 882 CG ASP A 54 -2.623 13.137 0.140 1.00 0.00 C ATOM 883 OD1 ASP A 54 -3.045 13.769 -0.848 1.00 0.00 O ATOM 884 OD2 ASP A 54 -3.402 12.714 1.013 1.00 0.00 O ATOM 0 H ASP A 54 -1.295 10.706 -1.033 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.458 13.439 -1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.954 12.061 0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.658 13.774 0.758 1.00 0.00 H new ATOM 889 N GLU A 55 1.423 11.270 -0.046 1.00 0.00 N ATOM 890 CA GLU A 55 2.755 10.953 0.499 1.00 0.00 C ATOM 891 C GLU A 55 3.752 10.593 -0.608 1.00 0.00 C ATOM 892 O GLU A 55 4.850 11.156 -0.675 1.00 0.00 O ATOM 893 CB GLU A 55 2.609 9.782 1.503 1.00 0.00 C ATOM 894 CG GLU A 55 1.596 10.036 2.647 1.00 0.00 C ATOM 895 CD GLU A 55 2.040 11.139 3.619 1.00 0.00 C ATOM 896 OE1 GLU A 55 1.791 12.340 3.352 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.654 10.809 4.653 1.00 0.00 O ATOM 0 H GLU A 55 0.725 10.556 0.162 1.00 0.00 H new ATOM 0 HA GLU A 55 3.150 11.835 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.305 8.889 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.585 9.571 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.633 10.308 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.447 9.110 3.203 1.00 0.00 H new ATOM 904 N MET A 56 3.364 9.644 -1.469 1.00 0.00 N ATOM 905 CA MET A 56 4.185 9.236 -2.622 1.00 0.00 C ATOM 906 C MET A 56 3.949 10.179 -3.820 1.00 0.00 C ATOM 907 O MET A 56 4.813 10.324 -4.690 1.00 0.00 O ATOM 908 CB MET A 56 3.885 7.770 -3.040 1.00 0.00 C ATOM 909 CG MET A 56 4.231 6.731 -1.989 1.00 0.00 C ATOM 910 SD MET A 56 3.128 6.836 -0.572 1.00 0.00 S ATOM 911 CE MET A 56 4.191 6.208 0.685 1.00 0.00 C ATOM 0 H MET A 56 2.481 9.140 -1.390 1.00 0.00 H new ATOM 0 HA MET A 56 5.230 9.300 -2.318 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.826 7.684 -3.282 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.439 7.545 -3.951 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.169 5.735 -2.427 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.261 6.872 -1.661 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.663 6.203 1.639 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.493 5.192 0.432 1.00 0.00 H new ATOM 0 HE3 MET A 56 5.075 6.840 0.763 1.00 0.00 H new ATOM 921 N GLY A 57 2.761 10.815 -3.846 1.00 0.00 N ATOM 922 CA GLY A 57 2.327 11.634 -4.984 1.00 0.00 C ATOM 923 C GLY A 57 1.917 10.775 -6.174 1.00 0.00 C ATOM 924 O GLY A 57 2.087 11.170 -7.329 1.00 0.00 O ATOM 0 H GLY A 57 2.084 10.773 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.488 12.261 -4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.135 12.303 -5.280 1.00 0.00 H new ATOM 928 N VAL A 58 1.362 9.584 -5.881 1.00 0.00 N ATOM 929 CA VAL A 58 1.036 8.550 -6.881 1.00 0.00 C ATOM 930 C VAL A 58 -0.433 8.131 -6.723 1.00 0.00 C ATOM 931 O VAL A 58 -0.837 7.685 -5.644 1.00 0.00 O ATOM 932 CB VAL A 58 1.956 7.281 -6.708 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.636 6.175 -7.753 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.453 7.666 -6.737 1.00 0.00 C ATOM 0 H VAL A 58 1.124 9.309 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 58 1.205 8.969 -7.873 1.00 0.00 H new ATOM 0 HB VAL A 58 1.736 6.861 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.295 5.322 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.599 5.858 -7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.789 6.569 -8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.062 6.770 -6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.689 8.138 -7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.666 8.362 -5.925 1.00 0.00 H new ATOM 944 N SER A 59 -1.223 8.281 -7.793 1.00 0.00 N ATOM 945 CA SER A 59 -2.637 7.865 -7.818 1.00 0.00 C ATOM 946 C SER A 59 -2.746 6.428 -8.382 1.00 0.00 C ATOM 947 O SER A 59 -2.192 6.133 -9.449 1.00 0.00 O ATOM 948 CB SER A 59 -3.477 8.852 -8.666 1.00 0.00 C ATOM 949 OG SER A 59 -4.855 8.501 -8.651 1.00 0.00 O ATOM 0 H SER A 59 -0.903 8.694 -8.669 1.00 0.00 H new ATOM 0 HA SER A 59 -3.030 7.875 -6.802 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.353 9.864 -8.280 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.111 8.855 -9.693 1.00 0.00 H new ATOM 0 HG SER A 59 -5.362 9.142 -9.193 1.00 0.00 H new ATOM 955 N ILE A 60 -3.439 5.541 -7.652 1.00 0.00 N ATOM 956 CA ILE A 60 -3.667 4.155 -8.071 1.00 0.00 C ATOM 957 C ILE A 60 -5.072 4.040 -8.700 1.00 0.00 C ATOM 958 O ILE A 60 -6.060 4.459 -8.077 1.00 0.00 O ATOM 959 CB ILE A 60 -3.516 3.172 -6.853 1.00 0.00 C ATOM 960 CG1 ILE A 60 -2.044 3.198 -6.305 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.964 1.729 -7.208 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.782 2.326 -5.078 1.00 0.00 C ATOM 0 H ILE A 60 -3.858 5.769 -6.750 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.919 3.876 -8.813 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.182 3.519 -6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.372 2.882 -7.103 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.785 4.228 -6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.842 1.085 -6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.011 1.737 -7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.354 1.350 -8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.737 2.418 -4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.421 2.652 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.002 1.286 -5.317 1.00 0.00 H new ATOM 974 N PRO A 61 -5.188 3.527 -9.962 1.00 0.00 N ATOM 975 CA PRO A 61 -6.505 3.245 -10.575 1.00 0.00 C ATOM 976 C PRO A 61 -7.201 1.992 -9.985 1.00 0.00 C ATOM 977 O PRO A 61 -6.542 1.087 -9.458 1.00 0.00 O ATOM 978 CB PRO A 61 -6.156 3.067 -12.070 1.00 0.00 C ATOM 979 CG PRO A 61 -4.733 2.588 -12.085 1.00 0.00 C ATOM 980 CD PRO A 61 -4.064 3.259 -10.905 1.00 0.00 C ATOM 0 HA PRO A 61 -7.228 4.039 -10.388 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.820 2.346 -12.547 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.262 4.006 -12.614 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.684 1.503 -11.998 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.239 2.855 -13.019 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.309 2.615 -10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.562 4.180 -11.201 1.00 0.00 H new ATOM 988 N SER A 62 -8.543 1.951 -10.126 1.00 0.00 N ATOM 989 CA SER A 62 -9.396 0.887 -9.566 1.00 0.00 C ATOM 990 C SER A 62 -9.180 -0.463 -10.288 1.00 0.00 C ATOM 991 O SER A 62 -9.463 -1.528 -9.724 1.00 0.00 O ATOM 992 CB SER A 62 -10.879 1.324 -9.611 1.00 0.00 C ATOM 993 OG SER A 62 -11.259 1.736 -10.909 1.00 0.00 O ATOM 0 H SER A 62 -9.067 2.662 -10.636 1.00 0.00 H new ATOM 0 HA SER A 62 -9.110 0.731 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.513 0.497 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.040 2.141 -8.907 1.00 0.00 H new ATOM 0 HG SER A 62 -12.202 2.004 -10.904 1.00 0.00 H new ATOM 999 N THR A 63 -8.674 -0.402 -11.540 1.00 0.00 N ATOM 1000 CA THR A 63 -8.288 -1.599 -12.303 1.00 0.00 C ATOM 1001 C THR A 63 -7.060 -2.290 -11.661 1.00 0.00 C ATOM 1002 O THR A 63 -6.915 -3.515 -11.734 1.00 0.00 O ATOM 1003 CB THR A 63 -7.998 -1.264 -13.814 1.00 0.00 C ATOM 1004 OG1 THR A 63 -7.727 -2.469 -14.556 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.821 -0.287 -14.002 1.00 0.00 C ATOM 0 H THR A 63 -8.525 0.473 -12.042 1.00 0.00 H new ATOM 0 HA THR A 63 -9.134 -2.286 -12.272 1.00 0.00 H new ATOM 0 HB THR A 63 -8.897 -0.778 -14.192 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.550 -2.243 -15.493 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.672 -0.097 -15.065 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.042 0.651 -13.493 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.915 -0.723 -13.581 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.183 -1.484 -11.022 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.973 -1.977 -10.336 1.00 0.00 C ATOM 1015 C HIS A 64 -5.305 -2.541 -8.946 1.00 0.00 C ATOM 1016 O HIS A 64 -4.436 -3.159 -8.318 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.914 -0.847 -10.234 1.00 0.00 C ATOM 1018 CG HIS A 64 -3.058 -0.678 -11.473 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -3.409 -1.170 -12.716 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.836 -0.118 -11.640 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -2.439 -0.924 -13.577 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -1.473 -0.289 -12.948 1.00 0.00 N ATOM 0 H HIS A 64 -6.297 -0.472 -10.969 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.558 -2.792 -10.929 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.423 0.094 -10.028 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.264 -1.051 -9.383 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.252 0.375 -10.877 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.438 -1.198 -14.622 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.597 0.024 -13.367 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.541 -2.309 -8.462 1.00 0.00 N ATOM 1032 CA ILE A 65 -7.027 -2.914 -7.214 1.00 0.00 C ATOM 1033 C ILE A 65 -7.340 -4.390 -7.496 1.00 0.00 C ATOM 1034 O ILE A 65 -8.448 -4.758 -7.898 1.00 0.00 O ATOM 1035 CB ILE A 65 -8.283 -2.168 -6.620 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -8.018 -0.632 -6.515 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.702 -2.760 -5.244 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.793 -0.233 -5.713 1.00 0.00 C ATOM 0 H ILE A 65 -7.221 -1.703 -8.922 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.251 -2.825 -6.454 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.115 -2.323 -7.307 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.918 -0.229 -7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.893 -0.160 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.571 -2.221 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.952 -3.814 -5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.877 -2.660 -4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.702 0.853 -5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.893 -0.598 -4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.903 -0.667 -6.168 1.00 0.00 H new ATOM 1050 N THR A 66 -6.309 -5.215 -7.334 1.00 0.00 N ATOM 1051 CA THR A 66 -6.359 -6.639 -7.633 1.00 0.00 C ATOM 1052 C THR A 66 -5.503 -7.409 -6.644 1.00 0.00 C ATOM 1053 O THR A 66 -4.647 -6.829 -5.959 1.00 0.00 O ATOM 1054 CB THR A 66 -5.933 -6.946 -9.116 1.00 0.00 C ATOM 1055 OG1 THR A 66 -6.017 -8.359 -9.380 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.510 -6.460 -9.428 1.00 0.00 C ATOM 0 H THR A 66 -5.402 -4.906 -6.986 1.00 0.00 H new ATOM 0 HA THR A 66 -7.393 -6.967 -7.531 1.00 0.00 H new ATOM 0 HB THR A 66 -6.625 -6.402 -9.760 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.751 -8.535 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.264 -6.696 -10.463 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.453 -5.382 -9.278 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.802 -6.957 -8.765 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.745 -8.722 -6.577 1.00 0.00 N ATOM 1065 CA GLY A 67 -5.025 -9.598 -5.674 1.00 0.00 C ATOM 1066 C GLY A 67 -3.562 -9.798 -6.053 1.00 0.00 C ATOM 1067 O GLY A 67 -2.734 -10.072 -5.199 1.00 0.00 O ATOM 0 H GLY A 67 -6.444 -9.197 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.077 -9.188 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.521 -10.568 -5.650 1.00 0.00 H new ATOM 1071 N LYS A 68 -3.250 -9.625 -7.345 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.875 -9.743 -7.875 1.00 0.00 C ATOM 1073 C LYS A 68 -0.959 -8.592 -7.367 1.00 0.00 C ATOM 1074 O LYS A 68 0.275 -8.714 -7.351 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.926 -9.762 -9.434 1.00 0.00 C ATOM 1076 CG LYS A 68 -2.880 -10.840 -10.021 1.00 0.00 C ATOM 1077 CD LYS A 68 -2.980 -10.801 -11.568 1.00 0.00 C ATOM 1078 CE LYS A 68 -1.657 -11.171 -12.262 1.00 0.00 C ATOM 1079 NZ LYS A 68 -1.783 -11.153 -13.730 1.00 0.00 N ATOM 0 H LYS A 68 -3.943 -9.398 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.443 -10.675 -7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.240 -8.781 -9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.920 -9.933 -9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.535 -11.827 -9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.875 -10.703 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.760 -11.488 -11.894 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.283 -9.802 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.879 -10.472 -11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.341 -12.162 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.871 -11.408 -14.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.508 -11.838 -14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.059 -10.201 -14.043 1.00 0.00 H new ATOM 1093 N TYR A 69 -1.590 -7.462 -7.020 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.910 -6.224 -6.569 1.00 0.00 C ATOM 1095 C TYR A 69 -0.936 -6.084 -5.027 1.00 0.00 C ATOM 1096 O TYR A 69 0.095 -5.902 -4.392 1.00 0.00 O ATOM 1097 CB TYR A 69 -1.537 -4.980 -7.267 1.00 0.00 C ATOM 1098 CG TYR A 69 -1.236 -4.825 -8.782 1.00 0.00 C ATOM 1099 CD1 TYR A 69 -1.059 -5.926 -9.630 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.133 -3.560 -9.367 1.00 0.00 C ATOM 1101 CE1 TYR A 69 -0.799 -5.775 -10.976 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -0.869 -3.409 -10.716 1.00 0.00 C ATOM 1103 CZ TYR A 69 -0.708 -4.513 -11.515 1.00 0.00 C ATOM 1104 OH TYR A 69 -0.434 -4.360 -12.858 1.00 0.00 O ATOM 0 H TYR A 69 -2.606 -7.373 -7.043 1.00 0.00 H new ATOM 0 HA TYR A 69 0.138 -6.288 -6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.618 -5.020 -7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.186 -4.085 -6.754 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.128 -6.922 -9.218 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.262 -2.681 -8.752 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.667 -6.644 -11.604 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.789 -2.420 -11.142 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.405 -3.406 -13.079 1.00 0.00 H new ATOM 1114 N PHE A 70 -2.137 -6.168 -4.421 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.341 -5.832 -2.982 1.00 0.00 C ATOM 1116 C PHE A 70 -2.272 -7.067 -2.070 1.00 0.00 C ATOM 1117 O PHE A 70 -2.716 -7.033 -0.920 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.664 -5.046 -2.829 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.582 -3.656 -3.460 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.090 -2.568 -2.732 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.942 -3.445 -4.790 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -2.982 -1.319 -3.309 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.823 -2.197 -5.362 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.346 -1.136 -4.625 1.00 0.00 C ATOM 0 H PHE A 70 -2.987 -6.465 -4.900 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.519 -5.197 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.475 -5.607 -3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.908 -4.950 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.790 -2.707 -1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.318 -4.269 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.613 -0.486 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.105 -2.050 -6.394 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.257 -0.160 -5.079 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.656 -8.135 -2.591 1.00 0.00 N ATOM 1135 CA LYS A 71 -1.377 -9.383 -1.858 1.00 0.00 C ATOM 1136 C LYS A 71 -0.388 -9.153 -0.707 1.00 0.00 C ATOM 1137 O LYS A 71 -0.558 -9.695 0.389 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.838 -10.440 -2.851 1.00 0.00 C ATOM 1139 CG LYS A 71 0.347 -9.948 -3.728 1.00 0.00 C ATOM 1140 CD LYS A 71 0.617 -10.846 -4.946 1.00 0.00 C ATOM 1141 CE LYS A 71 0.785 -12.317 -4.583 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.890 -12.521 -3.609 1.00 0.00 N ATOM 0 H LYS A 71 -1.329 -8.159 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.303 -9.744 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.519 -11.319 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.651 -10.756 -3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.139 -8.935 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.247 -9.899 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.206 -10.745 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.517 -10.499 -5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.146 -12.696 -4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.985 -12.894 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.584 -13.187 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.355 -11.611 -3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.505 -12.908 -2.724 1.00 0.00 H new ATOM 1156 N ASP A 72 0.643 -8.343 -0.978 1.00 0.00 N ATOM 1157 CA ASP A 72 1.687 -8.013 -0.012 1.00 0.00 C ATOM 1158 C ASP A 72 2.313 -6.671 -0.382 1.00 0.00 C ATOM 1159 O ASP A 72 2.130 -6.177 -1.497 1.00 0.00 O ATOM 1160 CB ASP A 72 2.773 -9.132 0.056 1.00 0.00 C ATOM 1161 CG ASP A 72 3.463 -9.427 -1.289 1.00 0.00 C ATOM 1162 OD1 ASP A 72 4.347 -8.646 -1.696 1.00 0.00 O ATOM 1163 OD2 ASP A 72 3.133 -10.450 -1.940 1.00 0.00 O ATOM 0 H ASP A 72 0.773 -7.896 -1.885 1.00 0.00 H new ATOM 0 HA ASP A 72 1.237 -7.940 0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.531 -8.843 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.311 -10.049 0.423 1.00 0.00 H new ATOM 1168 N LEU A 73 3.103 -6.136 0.541 1.00 0.00 N ATOM 1169 CA LEU A 73 3.649 -4.777 0.462 1.00 0.00 C ATOM 1170 C LEU A 73 4.704 -4.623 -0.673 1.00 0.00 C ATOM 1171 O LEU A 73 4.872 -3.519 -1.197 1.00 0.00 O ATOM 1172 CB LEU A 73 4.247 -4.417 1.838 1.00 0.00 C ATOM 1173 CG LEU A 73 4.777 -2.963 2.006 1.00 0.00 C ATOM 1174 CD1 LEU A 73 3.630 -1.938 1.907 1.00 0.00 C ATOM 1175 CD2 LEU A 73 5.591 -2.806 3.306 1.00 0.00 C ATOM 0 H LEU A 73 3.390 -6.638 1.381 1.00 0.00 H new ATOM 0 HA LEU A 73 2.844 -4.086 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.485 -4.592 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.067 -5.105 2.044 1.00 0.00 H new ATOM 0 HG LEU A 73 5.460 -2.758 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.030 -0.931 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.149 -2.023 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.898 -2.134 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.946 -1.779 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.959 -3.044 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.444 -3.484 3.285 1.00 0.00 H new ATOM 1187 N ASN A 74 5.405 -5.722 -1.048 1.00 0.00 N ATOM 1188 CA ASN A 74 6.357 -5.716 -2.197 1.00 0.00 C ATOM 1189 C ASN A 74 5.600 -5.440 -3.510 1.00 0.00 C ATOM 1190 O ASN A 74 6.006 -4.587 -4.313 1.00 0.00 O ATOM 1191 CB ASN A 74 7.125 -7.065 -2.326 1.00 0.00 C ATOM 1192 CG ASN A 74 8.286 -7.231 -1.347 1.00 0.00 C ATOM 1193 OD1 ASN A 74 8.015 -7.746 -0.168 1.00 0.00 O flip ATOM 1194 ND2 ASN A 74 9.428 -6.907 -1.666 1.00 0.00 N flip ATOM 0 H ASN A 74 5.332 -6.623 -0.576 1.00 0.00 H new ATOM 0 HA ASN A 74 7.084 -4.926 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.422 -7.884 -2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.508 -7.154 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.607 -6.510 -2.588 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.197 -7.035 -1.008 1.00 0.00 H new ATOM 1201 N ALA A 75 4.500 -6.181 -3.703 1.00 0.00 N ATOM 1202 CA ALA A 75 3.659 -6.097 -4.903 1.00 0.00 C ATOM 1203 C ALA A 75 2.855 -4.769 -4.940 1.00 0.00 C ATOM 1204 O ALA A 75 2.526 -4.272 -6.025 1.00 0.00 O ATOM 1205 CB ALA A 75 2.741 -7.326 -4.963 1.00 0.00 C ATOM 0 H ALA A 75 4.166 -6.863 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 75 4.295 -6.094 -5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.114 -7.269 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.347 -8.231 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.109 -7.352 -4.075 1.00 0.00 H new ATOM 1211 N ILE A 76 2.523 -4.214 -3.753 1.00 0.00 N ATOM 1212 CA ILE A 76 1.906 -2.867 -3.644 1.00 0.00 C ATOM 1213 C ILE A 76 2.901 -1.784 -4.080 1.00 0.00 C ATOM 1214 O ILE A 76 2.583 -0.932 -4.907 1.00 0.00 O ATOM 1215 CB ILE A 76 1.422 -2.553 -2.175 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.303 -3.543 -1.752 1.00 0.00 C ATOM 1217 CG2 ILE A 76 0.955 -1.073 -1.987 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.257 -3.313 -0.364 1.00 0.00 C ATOM 0 H ILE A 76 2.671 -4.676 -2.856 1.00 0.00 H new ATOM 0 HA ILE A 76 1.037 -2.865 -4.302 1.00 0.00 H new ATOM 0 HB ILE A 76 2.285 -2.687 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.512 -3.478 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.696 -4.558 -1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.635 -0.921 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.781 -0.399 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.123 -0.866 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.032 -4.051 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.542 -3.410 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.685 -2.312 -0.306 1.00 0.00 H new ATOM 1230 N SER A 77 4.113 -1.846 -3.525 1.00 0.00 N ATOM 1231 CA SER A 77 5.120 -0.794 -3.719 1.00 0.00 C ATOM 1232 C SER A 77 5.662 -0.819 -5.151 1.00 0.00 C ATOM 1233 O SER A 77 6.005 0.234 -5.683 1.00 0.00 O ATOM 1234 CB SER A 77 6.265 -0.949 -2.712 1.00 0.00 C ATOM 1235 OG SER A 77 6.893 -2.211 -2.844 1.00 0.00 O ATOM 0 H SER A 77 4.425 -2.617 -2.934 1.00 0.00 H new ATOM 0 HA SER A 77 4.640 0.170 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.998 -0.157 -2.865 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.880 -0.835 -1.699 1.00 0.00 H new ATOM 0 HG SER A 77 6.400 -2.878 -2.322 1.00 0.00 H new ATOM 1241 N ARG A 78 5.684 -2.025 -5.772 1.00 0.00 N ATOM 1242 CA ARG A 78 6.206 -2.214 -7.141 1.00 0.00 C ATOM 1243 C ARG A 78 5.345 -1.410 -8.137 1.00 0.00 C ATOM 1244 O ARG A 78 5.884 -0.786 -9.068 1.00 0.00 O ATOM 1245 CB ARG A 78 6.273 -3.728 -7.556 1.00 0.00 C ATOM 1246 CG ARG A 78 4.964 -4.318 -8.141 1.00 0.00 C ATOM 1247 CD ARG A 78 5.052 -5.790 -8.553 1.00 0.00 C ATOM 1248 NE ARG A 78 3.824 -6.194 -9.274 1.00 0.00 N ATOM 1249 CZ ARG A 78 3.226 -7.390 -9.217 1.00 0.00 C ATOM 1250 NH1 ARG A 78 3.707 -8.355 -8.454 1.00 0.00 N ATOM 1251 NH2 ARG A 78 2.150 -7.616 -9.951 1.00 0.00 N ATOM 0 H ARG A 78 5.343 -2.884 -5.339 1.00 0.00 H new ATOM 0 HA ARG A 78 7.231 -1.843 -7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.067 -3.850 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.556 -4.314 -6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.170 -4.209 -7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.673 -3.729 -9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.923 -5.946 -9.189 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.186 -6.415 -7.670 1.00 0.00 H new ATOM 0 HE ARG A 78 3.391 -5.492 -9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.546 -8.194 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.239 -9.261 -8.422 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.781 -6.882 -10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.689 -8.525 -9.913 1.00 0.00 H new ATOM 1265 N THR A 79 4.008 -1.403 -7.915 1.00 0.00 N ATOM 1266 CA THR A 79 3.077 -0.684 -8.782 1.00 0.00 C ATOM 1267 C THR A 79 3.133 0.810 -8.464 1.00 0.00 C ATOM 1268 O THR A 79 2.878 1.618 -9.336 1.00 0.00 O ATOM 1269 CB THR A 79 1.597 -1.230 -8.703 1.00 0.00 C ATOM 1270 OG1 THR A 79 0.850 -0.776 -9.840 1.00 0.00 O ATOM 1271 CG2 THR A 79 0.846 -0.802 -7.437 1.00 0.00 C ATOM 0 H THR A 79 3.562 -1.892 -7.139 1.00 0.00 H new ATOM 0 HA THR A 79 3.395 -0.853 -9.811 1.00 0.00 H new ATOM 0 HB THR A 79 1.682 -2.316 -8.683 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.237 -1.482 -10.132 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.162 -1.215 -7.455 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.374 -1.172 -6.558 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.792 0.286 -7.397 1.00 0.00 H new ATOM 1279 N VAL A 80 3.490 1.170 -7.216 1.00 0.00 N ATOM 1280 CA VAL A 80 3.693 2.581 -6.829 1.00 0.00 C ATOM 1281 C VAL A 80 4.954 3.143 -7.523 1.00 0.00 C ATOM 1282 O VAL A 80 4.991 4.319 -7.875 1.00 0.00 O ATOM 1283 CB VAL A 80 3.798 2.749 -5.265 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.170 4.202 -4.854 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.489 2.287 -4.573 1.00 0.00 C ATOM 0 H VAL A 80 3.644 0.504 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 80 2.822 3.148 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 80 4.611 2.108 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.231 4.269 -3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.134 4.467 -5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.407 4.890 -5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.584 2.412 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.654 2.887 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.307 1.237 -4.802 1.00 0.00 H new ATOM 1295 N GLU A 81 5.975 2.282 -7.725 1.00 0.00 N ATOM 1296 CA GLU A 81 7.223 2.665 -8.416 1.00 0.00 C ATOM 1297 C GLU A 81 6.976 2.835 -9.926 1.00 0.00 C ATOM 1298 O GLU A 81 7.461 3.793 -10.540 1.00 0.00 O ATOM 1299 CB GLU A 81 8.342 1.614 -8.175 1.00 0.00 C ATOM 1300 CG GLU A 81 8.694 1.346 -6.687 1.00 0.00 C ATOM 1301 CD GLU A 81 8.870 2.630 -5.847 1.00 0.00 C ATOM 1302 OE1 GLU A 81 9.907 3.317 -6.003 1.00 0.00 O ATOM 1303 OE2 GLU A 81 7.961 2.982 -5.051 1.00 0.00 O ATOM 0 H GLU A 81 5.957 1.310 -7.416 1.00 0.00 H new ATOM 0 HA GLU A 81 7.553 3.618 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.038 0.673 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.244 1.944 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.908 0.736 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.614 0.763 -6.640 1.00 0.00 H new ATOM 1310 N GLN A 82 6.212 1.897 -10.506 1.00 0.00 N ATOM 1311 CA GLN A 82 5.872 1.911 -11.943 1.00 0.00 C ATOM 1312 C GLN A 82 4.959 3.101 -12.270 1.00 0.00 C ATOM 1313 O GLN A 82 5.187 3.829 -13.243 1.00 0.00 O ATOM 1314 CB GLN A 82 5.205 0.575 -12.369 1.00 0.00 C ATOM 1315 CG GLN A 82 4.797 0.512 -13.864 1.00 0.00 C ATOM 1316 CD GLN A 82 5.974 0.694 -14.842 1.00 0.00 C ATOM 1317 OE1 GLN A 82 7.100 0.255 -14.576 1.00 0.00 O ATOM 1318 NE2 GLN A 82 5.729 1.388 -15.950 1.00 0.00 N ATOM 0 H GLN A 82 5.812 1.109 -9.997 1.00 0.00 H new ATOM 0 HA GLN A 82 6.797 2.021 -12.509 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.892 -0.244 -12.158 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.319 0.414 -11.756 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.320 -0.448 -14.060 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.052 1.284 -14.060 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.788 1.735 -16.137 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.482 1.573 -16.613 1.00 0.00 H new ATOM 1327 N LEU A 83 3.957 3.301 -11.416 1.00 0.00 N ATOM 1328 CA LEU A 83 2.974 4.385 -11.563 1.00 0.00 C ATOM 1329 C LEU A 83 3.624 5.749 -11.277 1.00 0.00 C ATOM 1330 O LEU A 83 3.232 6.723 -11.882 1.00 0.00 O ATOM 1331 CB LEU A 83 1.739 4.134 -10.648 1.00 0.00 C ATOM 1332 CG LEU A 83 0.559 3.273 -11.229 1.00 0.00 C ATOM 1333 CD1 LEU A 83 1.044 2.000 -11.962 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.458 2.934 -10.108 1.00 0.00 C ATOM 0 H LEU A 83 3.799 2.715 -10.596 1.00 0.00 H new ATOM 0 HA LEU A 83 2.622 4.398 -12.595 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.090 3.649 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.335 5.104 -10.358 1.00 0.00 H new ATOM 0 HG LEU A 83 0.059 3.877 -11.986 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.184 1.448 -12.340 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.688 2.283 -12.794 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.602 1.371 -11.268 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.271 2.337 -10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.042 2.369 -9.321 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.861 3.857 -9.691 1.00 0.00 H new ATOM 1346 N LYS A 84 4.627 5.796 -10.368 1.00 0.00 N ATOM 1347 CA LYS A 84 5.403 7.028 -10.087 1.00 0.00 C ATOM 1348 C LYS A 84 6.278 7.378 -11.297 1.00 0.00 C ATOM 1349 O LYS A 84 6.432 8.551 -11.630 1.00 0.00 O ATOM 1350 CB LYS A 84 6.279 6.866 -8.817 1.00 0.00 C ATOM 1351 CG LYS A 84 7.156 8.085 -8.463 1.00 0.00 C ATOM 1352 CD LYS A 84 7.784 8.043 -7.046 1.00 0.00 C ATOM 1353 CE LYS A 84 8.539 6.734 -6.699 1.00 0.00 C ATOM 1354 NZ LYS A 84 7.643 5.653 -6.204 1.00 0.00 N ATOM 0 H LYS A 84 4.919 4.991 -9.814 1.00 0.00 H new ATOM 0 HA LYS A 84 4.700 7.840 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.627 6.650 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.926 5.999 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.957 8.165 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.552 8.988 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.475 8.880 -6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.994 8.194 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.068 6.382 -7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.293 6.947 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.198 4.968 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.903 6.065 -5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.202 5.170 -7.013 1.00 0.00 H new ATOM 1368 N ALA A 85 6.820 6.330 -11.953 1.00 0.00 N ATOM 1369 CA ALA A 85 7.655 6.471 -13.157 1.00 0.00 C ATOM 1370 C ALA A 85 6.841 7.124 -14.293 1.00 0.00 C ATOM 1371 O ALA A 85 7.320 8.042 -14.970 1.00 0.00 O ATOM 1372 CB ALA A 85 8.211 5.096 -13.581 1.00 0.00 C ATOM 0 H ALA A 85 6.689 5.362 -11.659 1.00 0.00 H new ATOM 0 HA ALA A 85 8.501 7.121 -12.934 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.827 5.212 -14.473 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.815 4.683 -12.773 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.384 4.420 -13.797 1.00 0.00 H new ATOM 1378 N GLU A 86 5.598 6.641 -14.458 1.00 0.00 N ATOM 1379 CA GLU A 86 4.638 7.168 -15.444 1.00 0.00 C ATOM 1380 C GLU A 86 4.155 8.582 -15.053 1.00 0.00 C ATOM 1381 O GLU A 86 4.092 9.472 -15.902 1.00 0.00 O ATOM 1382 CB GLU A 86 3.435 6.191 -15.577 1.00 0.00 C ATOM 1383 CG GLU A 86 3.819 4.765 -16.041 1.00 0.00 C ATOM 1384 CD GLU A 86 4.539 4.769 -17.400 1.00 0.00 C ATOM 1385 OE1 GLU A 86 3.879 5.030 -18.432 1.00 0.00 O ATOM 1386 OE2 GLU A 86 5.769 4.540 -17.447 1.00 0.00 O ATOM 0 H GLU A 86 5.228 5.867 -13.906 1.00 0.00 H new ATOM 0 HA GLU A 86 5.139 7.249 -16.409 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.929 6.123 -14.614 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.719 6.610 -16.284 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.462 4.302 -15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.920 4.153 -16.110 1.00 0.00 H new ATOM 1393 N SER A 87 3.853 8.766 -13.752 1.00 0.00 N ATOM 1394 CA SER A 87 3.301 10.023 -13.194 1.00 0.00 C ATOM 1395 C SER A 87 4.370 11.136 -13.112 1.00 0.00 C ATOM 1396 O SER A 87 4.029 12.322 -13.010 1.00 0.00 O ATOM 1397 CB SER A 87 2.700 9.766 -11.789 1.00 0.00 C ATOM 1398 OG SER A 87 1.602 8.872 -11.850 1.00 0.00 O ATOM 0 H SER A 87 3.986 8.039 -13.049 1.00 0.00 H new ATOM 0 HA SER A 87 2.517 10.364 -13.870 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.468 9.357 -11.133 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.378 10.711 -11.352 1.00 0.00 H new ATOM 0 HG SER A 87 1.931 7.957 -11.972 1.00 0.00 H new ATOM 1404 N ALA A 88 5.660 10.752 -13.136 1.00 0.00 N ATOM 1405 CA ALA A 88 6.777 11.707 -13.121 1.00 0.00 C ATOM 1406 C ALA A 88 6.822 12.476 -14.446 1.00 0.00 C ATOM 1407 O ALA A 88 7.024 13.693 -14.464 1.00 0.00 O ATOM 1408 CB ALA A 88 8.099 10.968 -12.879 1.00 0.00 C ATOM 0 H ALA A 88 5.953 9.776 -13.166 1.00 0.00 H new ATOM 0 HA ALA A 88 6.628 12.420 -12.310 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.920 11.685 -12.870 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.057 10.452 -11.920 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.261 10.241 -13.675 1.00 0.00 H new ATOM 1414 N LEU A 89 6.617 11.739 -15.553 1.00 0.00 N ATOM 1415 CA LEU A 89 6.590 12.310 -16.906 1.00 0.00 C ATOM 1416 C LEU A 89 5.184 12.830 -17.262 1.00 0.00 C ATOM 1417 O LEU A 89 5.048 13.718 -18.101 1.00 0.00 O ATOM 1418 CB LEU A 89 7.087 11.264 -17.957 1.00 0.00 C ATOM 1419 CG LEU A 89 8.617 10.922 -17.937 1.00 0.00 C ATOM 1420 CD1 LEU A 89 9.478 12.186 -18.062 1.00 0.00 C ATOM 1421 CD2 LEU A 89 9.021 10.101 -16.696 1.00 0.00 C ATOM 0 H LEU A 89 6.466 10.731 -15.531 1.00 0.00 H new ATOM 0 HA LEU A 89 7.271 13.161 -16.927 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.529 10.340 -17.808 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.833 11.633 -18.951 1.00 0.00 H new ATOM 0 HG LEU A 89 8.805 10.296 -18.810 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.533 11.911 -18.045 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.250 12.690 -19.001 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.264 12.856 -17.229 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.090 9.891 -16.731 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.792 10.668 -15.794 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.467 9.162 -16.685 1.00 0.00 H new ATOM 1433 N GLU A 90 4.141 12.277 -16.618 1.00 0.00 N ATOM 1434 CA GLU A 90 2.748 12.695 -16.836 1.00 0.00 C ATOM 1435 C GLU A 90 2.257 13.455 -15.579 1.00 0.00 C ATOM 1436 CB GLU A 90 1.862 11.449 -17.171 1.00 0.00 C ATOM 1437 CG GLU A 90 0.387 11.772 -17.486 1.00 0.00 C ATOM 1438 CD GLU A 90 0.213 12.661 -18.731 1.00 0.00 C ATOM 1439 OE1 GLU A 90 0.181 12.117 -19.862 1.00 0.00 O ATOM 1440 OE2 GLU A 90 0.112 13.906 -18.593 1.00 0.00 O ATOM 0 H GLU A 90 4.242 11.528 -15.933 1.00 0.00 H new ATOM 0 HA GLU A 90 2.675 13.369 -17.689 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.297 10.931 -18.026 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.896 10.759 -16.328 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.159 10.840 -17.634 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.061 12.270 -16.626 1.00 0.00 H new TER 1447 GLU A 90 HETATM 1448 P24 PNS A 101 -14.650 -1.913 -3.999 1.00 71.24 P HETATM 1449 O25 PNS A 101 -15.881 -2.337 -3.293 1.00 11.52 O HETATM 1450 O26 PNS A 101 -14.738 -0.632 -4.751 1.00 3.24 O HETATM 1451 O27 PNS A 101 -14.137 -3.078 -4.937 1.00 24.22 O HETATM 1452 C28 PNS A 101 -13.383 -2.827 -6.108 1.00 23.21 C HETATM 1453 C29 PNS A 101 -13.094 -4.162 -6.798 1.00 50.34 C HETATM 1454 C30 PNS A 101 -14.408 -4.892 -7.090 1.00 72.24 C HETATM 1455 C31 PNS A 101 -12.230 -4.985 -5.833 1.00 50.02 C HETATM 1456 C32 PNS A 101 -12.342 -3.905 -8.107 1.00 12.53 C HETATM 1457 O33 PNS A 101 -11.061 -3.333 -7.834 1.00 74.35 O HETATM 1458 C34 PNS A 101 -12.147 -5.229 -8.884 1.00 64.51 C HETATM 1459 O35 PNS A 101 -12.938 -5.557 -9.777 1.00 31.11 O HETATM 1460 N36 PNS A 101 -11.086 -5.957 -8.554 1.00 34.50 N HETATM 1461 C37 PNS A 101 -10.735 -7.265 -9.140 1.00 12.50 C HETATM 1462 C38 PNS A 101 -9.608 -7.942 -8.364 1.00 12.01 C HETATM 1463 C39 PNS A 101 -9.901 -8.117 -6.871 1.00 42.41 C HETATM 1464 O40 PNS A 101 -10.478 -9.121 -6.444 1.00 13.10 O HETATM 1465 N41 PNS A 101 -9.474 -7.115 -6.071 1.00 22.34 N HETATM 1466 C42 PNS A 101 -9.651 -7.050 -4.608 1.00 20.43 C HETATM 1467 C43 PNS A 101 -8.469 -6.371 -3.897 1.00 71.34 C HETATM 1468 S44 PNS A 101 -8.748 -6.300 -2.111 1.00 33.34 S HETATM 0 H432 PNS A 101 -7.550 -6.920 -4.104 1.00 71.34 H new HETATM 0 H431 PNS A 101 -8.334 -5.363 -4.289 1.00 71.34 H new HETATM 0 H422 PNS A 101 -9.774 -8.060 -4.216 1.00 20.43 H new HETATM 0 H421 PNS A 101 -10.568 -6.506 -4.381 1.00 20.43 H new HETATM 0 H382 PNS A 101 -8.697 -7.355 -8.479 1.00 12.01 H new HETATM 0 H381 PNS A 101 -9.414 -8.921 -8.803 1.00 12.01 H new HETATM 0 H372 PNS A 101 -10.433 -7.130 -10.179 1.00 12.50 H new HETATM 0 H371 PNS A 101 -11.614 -7.910 -9.145 1.00 12.50 H new HETATM 0 H313 PNS A 101 -11.998 -5.950 -6.285 1.00 50.02 H new HETATM 0 H312 PNS A 101 -12.774 -5.142 -4.901 1.00 50.02 H new HETATM 0 H311 PNS A 101 -11.304 -4.449 -5.627 1.00 50.02 H new HETATM 0 H303 PNS A 101 -14.195 -5.842 -7.581 1.00 72.24 H new HETATM 0 H302 PNS A 101 -15.029 -4.277 -7.742 1.00 72.24 H new HETATM 0 H301 PNS A 101 -14.937 -5.078 -6.155 1.00 72.24 H new HETATM 0 H282 PNS A 101 -12.451 -2.321 -5.857 1.00 23.21 H new HETATM 0 H281 PNS A 101 -13.933 -2.166 -6.778 1.00 23.21 H new HETATM 0 H44 PNS A 101 -7.734 -5.724 -1.536 1.00 33.34 H new HETATM 0 H41 PNS A 101 -8.988 -6.337 -6.517 1.00 22.34 H new HETATM 0 H36 PNS A 101 -10.464 -5.582 -7.838 1.00 34.50 H new HETATM 0 H33 PNS A 101 -10.778 -2.786 -8.596 1.00 74.35 H new HETATM 0 H32 PNS A 101 -12.931 -3.214 -8.710 1.00 12.53 H new