USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 655 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 1 MET N :NH3+ 162:sc= -1.71 (180deg=-2.14) USER MOD Set 1.2: A 78 MET CE :methyl 163:sc= -5.83! (180deg=-6.62!) USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00343) USER MOD Single : A 2 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.95!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -8.85! C(o=-8.8!,f=-6.8!) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= -0.0893 (180deg=-0.558) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -119:sc= -9.99! (180deg=-13.2!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -3.78! USER MOD Single : A 27 SER OG : rot 157:sc= -1.89! USER MOD Single : A 28 HIS : no HE2:sc= -12.9! C(o=-13!,f=-14!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -7.76! K(o=-7.8!,f=-2.1) USER MOD Single : A 49 GLN : amide:sc= -5.73! C(o=-5.7!,f=-3!) USER MOD Single : A 58 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.0041) USER MOD Single : A 62 LYS NZ :NH3+ -109:sc= -0.696 (180deg=-1.88!) USER MOD Single : A 64 GLN : amide:sc= -3.65! K(o=-3.7!,f=-0.17) USER MOD Single : A 65 SER OG : rot 170:sc= -3.56! USER MOD Single : A 72 TYR OH : rot 50:sc= -9.85! USER MOD Single : A 75 GLN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.0979 X(o=-0.098,f=-0.13) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 179:sc= -2.63! USER MOD Single : A 101 PNS S44 : rot 180:sc= -1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.444 -7.681 8.802 1.00 0.00 N ATOM 2 CA MET A 1 -5.181 -7.750 10.263 1.00 0.00 C ATOM 3 C MET A 1 -4.261 -6.619 10.711 1.00 0.00 C ATOM 4 O MET A 1 -4.169 -5.583 10.052 1.00 0.00 O ATOM 5 CB MET A 1 -4.544 -9.105 10.581 1.00 0.00 C ATOM 6 CG MET A 1 -3.255 -9.365 9.819 1.00 0.00 C ATOM 7 SD MET A 1 -3.033 -11.106 9.406 1.00 0.00 S ATOM 8 CE MET A 1 -2.812 -11.815 11.036 1.00 0.00 C ATOM 0 H1 MET A 1 -5.803 -8.599 8.470 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.151 -6.943 8.611 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.562 -7.453 8.301 1.00 0.00 H new ATOM 0 HA MET A 1 -6.123 -7.641 10.801 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.341 -9.160 11.651 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.258 -9.896 10.351 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.254 -8.775 8.903 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.409 -9.027 10.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.627 -12.885 10.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.962 -11.340 11.527 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.712 -11.651 11.629 1.00 0.00 H new ATOM 20 N ASN A 2 -3.581 -6.823 11.833 1.00 0.00 N ATOM 21 CA ASN A 2 -2.670 -5.820 12.366 1.00 0.00 C ATOM 22 C ASN A 2 -1.410 -5.722 11.518 1.00 0.00 C ATOM 23 O ASN A 2 -0.807 -4.659 11.407 1.00 0.00 O ATOM 24 CB ASN A 2 -2.294 -6.143 13.812 1.00 0.00 C ATOM 25 CG ASN A 2 -2.532 -7.600 14.160 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.651 -7.999 14.483 1.00 0.00 O ATOM 27 ND2 ASN A 2 -1.476 -8.403 14.097 1.00 0.00 N ATOM 0 H ASN A 2 -3.644 -7.675 12.391 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.185 -4.860 12.340 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.244 -5.900 13.974 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.875 -5.512 14.485 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.574 -9.393 14.321 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.567 -8.029 13.824 1.00 0.00 H new ATOM 34 N ASP A 3 -1.014 -6.842 10.935 1.00 0.00 N ATOM 35 CA ASP A 3 0.184 -6.894 10.104 1.00 0.00 C ATOM 36 C ASP A 3 0.154 -5.830 9.013 1.00 0.00 C ATOM 37 O ASP A 3 1.185 -5.249 8.669 1.00 0.00 O ATOM 38 CB ASP A 3 0.335 -8.281 9.477 1.00 0.00 C ATOM 39 CG ASP A 3 1.494 -9.059 10.066 1.00 0.00 C ATOM 40 OD1 ASP A 3 1.335 -9.610 11.175 1.00 0.00 O ATOM 41 OD2 ASP A 3 2.560 -9.118 9.419 1.00 0.00 O ATOM 0 H ASP A 3 -1.505 -7.732 11.021 1.00 0.00 H new ATOM 0 HA ASP A 3 1.041 -6.694 10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.587 -8.844 9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.480 -8.177 8.402 1.00 0.00 H new ATOM 46 N VAL A 4 -1.028 -5.583 8.470 1.00 0.00 N ATOM 47 CA VAL A 4 -1.191 -4.593 7.411 1.00 0.00 C ATOM 48 C VAL A 4 -1.005 -3.174 7.938 1.00 0.00 C ATOM 49 O VAL A 4 -0.294 -2.373 7.340 1.00 0.00 O ATOM 50 CB VAL A 4 -2.572 -4.705 6.738 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.614 -5.902 5.801 1.00 0.00 C ATOM 52 CG2 VAL A 4 -3.672 -4.799 7.783 1.00 0.00 C ATOM 0 H VAL A 4 -1.891 -6.054 8.744 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.418 -4.802 6.671 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.741 -3.804 6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.597 -5.965 5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.853 -5.787 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.422 -6.814 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.639 -4.877 7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.510 -5.680 8.404 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.656 -3.907 8.409 1.00 0.00 H new ATOM 62 N LEU A 5 -1.646 -2.869 9.060 1.00 0.00 N ATOM 63 CA LEU A 5 -1.548 -1.548 9.665 1.00 0.00 C ATOM 64 C LEU A 5 -0.143 -1.283 10.186 1.00 0.00 C ATOM 65 O LEU A 5 0.340 -0.157 10.162 1.00 0.00 O ATOM 66 CB LEU A 5 -2.558 -1.402 10.798 1.00 0.00 C ATOM 67 CG LEU A 5 -3.954 -1.957 10.507 1.00 0.00 C ATOM 68 CD1 LEU A 5 -4.244 -1.929 9.014 1.00 0.00 C ATOM 69 CD2 LEU A 5 -4.089 -3.372 11.052 1.00 0.00 C ATOM 0 H LEU A 5 -2.241 -3.522 9.570 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.771 -0.813 8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.163 -1.904 11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.650 -0.345 11.046 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.686 -1.323 11.008 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.241 -2.328 8.830 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.191 -0.902 8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.507 -2.537 8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.088 -3.751 10.836 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.347 -4.016 10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.929 -3.363 12.130 1.00 0.00 H new ATOM 81 N THR A 6 0.502 -2.330 10.671 1.00 0.00 N ATOM 82 CA THR A 6 1.848 -2.213 11.215 1.00 0.00 C ATOM 83 C THR A 6 2.827 -1.677 10.177 1.00 0.00 C ATOM 84 O THR A 6 3.487 -0.661 10.395 1.00 0.00 O ATOM 85 CB THR A 6 2.331 -3.569 11.728 1.00 0.00 C ATOM 86 OG1 THR A 6 2.745 -3.474 13.078 1.00 0.00 O ATOM 87 CG2 THR A 6 3.491 -4.125 10.933 1.00 0.00 C ATOM 0 H THR A 6 0.116 -3.274 10.700 1.00 0.00 H new ATOM 0 HA THR A 6 1.809 -1.504 12.042 1.00 0.00 H new ATOM 0 HB THR A 6 1.479 -4.241 11.622 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.049 -4.352 13.389 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.787 -5.089 11.347 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.191 -4.254 9.893 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.332 -3.434 10.985 1.00 0.00 H new ATOM 95 N ARG A 7 2.922 -2.376 9.057 1.00 0.00 N ATOM 96 CA ARG A 7 3.823 -1.994 7.984 1.00 0.00 C ATOM 97 C ARG A 7 3.256 -0.835 7.176 1.00 0.00 C ATOM 98 O ARG A 7 3.963 0.120 6.858 1.00 0.00 O ATOM 99 CB ARG A 7 4.092 -3.187 7.067 1.00 0.00 C ATOM 100 CG ARG A 7 5.375 -3.059 6.262 1.00 0.00 C ATOM 101 CD ARG A 7 5.167 -2.215 5.014 1.00 0.00 C ATOM 102 NE ARG A 7 6.432 -1.757 4.447 1.00 0.00 N ATOM 103 CZ ARG A 7 6.666 -1.673 3.141 1.00 0.00 C ATOM 104 NH1 ARG A 7 5.724 -2.016 2.273 1.00 0.00 N ATOM 105 NH2 ARG A 7 7.843 -1.247 2.703 1.00 0.00 N ATOM 0 H ARG A 7 2.380 -3.219 8.868 1.00 0.00 H new ATOM 0 HA ARG A 7 4.761 -1.670 8.434 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.140 -4.094 7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.253 -3.304 6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.151 -2.610 6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.728 -4.050 5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.625 -2.797 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.546 -1.353 5.258 1.00 0.00 H new ATOM 0 HE ARG A 7 7.178 -1.486 5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.818 -2.345 2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.905 -1.951 1.271 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.570 -0.983 3.368 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.021 -1.183 1.701 1.00 0.00 H new ATOM 119 N VAL A 8 1.978 -0.937 6.836 1.00 0.00 N ATOM 120 CA VAL A 8 1.315 0.094 6.052 1.00 0.00 C ATOM 121 C VAL A 8 1.332 1.438 6.772 1.00 0.00 C ATOM 122 O VAL A 8 1.715 2.455 6.195 1.00 0.00 O ATOM 123 CB VAL A 8 -0.143 -0.288 5.735 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.097 0.385 6.711 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.493 0.079 4.301 1.00 0.00 C ATOM 0 H VAL A 8 1.381 -1.723 7.091 1.00 0.00 H new ATOM 0 HA VAL A 8 1.871 0.181 5.119 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.247 -1.367 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.122 0.103 6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.862 0.068 7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.991 1.467 6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.527 -0.199 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.371 1.153 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.168 -0.454 3.617 1.00 0.00 H new ATOM 135 N LEU A 9 0.916 1.435 8.034 1.00 0.00 N ATOM 136 CA LEU A 9 0.887 2.660 8.828 1.00 0.00 C ATOM 137 C LEU A 9 2.281 3.265 8.953 1.00 0.00 C ATOM 138 O LEU A 9 2.461 4.473 8.798 1.00 0.00 O ATOM 139 CB LEU A 9 0.319 2.384 10.223 1.00 0.00 C ATOM 140 CG LEU A 9 1.362 2.226 11.330 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.664 3.569 11.976 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.880 1.229 12.371 1.00 0.00 C ATOM 0 H LEU A 9 0.595 0.602 8.528 1.00 0.00 H new ATOM 0 HA LEU A 9 0.242 3.373 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.353 3.199 10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.283 1.476 10.180 1.00 0.00 H new ATOM 0 HG LEU A 9 2.282 1.846 10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.408 3.436 12.761 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.050 4.256 11.223 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.751 3.979 12.407 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.633 1.127 13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.053 1.583 12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.714 0.261 11.898 1.00 0.00 H new ATOM 154 N GLU A 10 3.266 2.419 9.237 1.00 0.00 N ATOM 155 CA GLU A 10 4.643 2.870 9.386 1.00 0.00 C ATOM 156 C GLU A 10 5.186 3.402 8.069 1.00 0.00 C ATOM 157 O GLU A 10 5.995 4.328 8.040 1.00 0.00 O ATOM 158 CB GLU A 10 5.526 1.727 9.888 1.00 0.00 C ATOM 159 CG GLU A 10 5.811 0.672 8.834 1.00 0.00 C ATOM 160 CD GLU A 10 7.295 0.441 8.626 1.00 0.00 C ATOM 161 OE1 GLU A 10 8.099 1.044 9.367 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.653 -0.345 7.722 1.00 0.00 O ATOM 0 H GLU A 10 3.135 1.416 9.369 1.00 0.00 H new ATOM 0 HA GLU A 10 4.655 3.678 10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.471 2.138 10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.043 1.254 10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.339 -0.266 9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.359 0.975 7.890 1.00 0.00 H new ATOM 169 N VAL A 11 4.739 2.800 6.982 1.00 0.00 N ATOM 170 CA VAL A 11 5.181 3.189 5.652 1.00 0.00 C ATOM 171 C VAL A 11 4.875 4.651 5.359 1.00 0.00 C ATOM 172 O VAL A 11 5.753 5.414 4.956 1.00 0.00 O ATOM 173 CB VAL A 11 4.531 2.313 4.578 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.232 3.123 3.327 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.415 1.117 4.258 1.00 0.00 C ATOM 0 H VAL A 11 4.065 2.034 6.993 1.00 0.00 H new ATOM 0 HA VAL A 11 6.262 3.049 5.628 1.00 0.00 H new ATOM 0 HB VAL A 11 3.584 1.939 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.771 2.479 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.551 3.937 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.160 3.534 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.937 0.506 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.381 1.466 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.561 0.521 5.159 1.00 0.00 H new ATOM 185 N VAL A 12 3.625 5.031 5.556 1.00 0.00 N ATOM 186 CA VAL A 12 3.190 6.401 5.307 1.00 0.00 C ATOM 187 C VAL A 12 3.772 7.368 6.334 1.00 0.00 C ATOM 188 O VAL A 12 4.371 8.384 5.977 1.00 0.00 O ATOM 189 CB VAL A 12 1.655 6.515 5.327 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.054 5.867 4.089 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.090 5.888 6.593 1.00 0.00 C ATOM 0 H VAL A 12 2.888 4.410 5.889 1.00 0.00 H new ATOM 0 HA VAL A 12 3.557 6.669 4.316 1.00 0.00 H new ATOM 0 HB VAL A 12 1.388 7.572 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.032 5.958 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.433 6.365 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.329 4.813 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.004 5.978 6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.367 4.834 6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.494 6.402 7.465 1.00 0.00 H new ATOM 201 N LYS A 13 3.590 7.049 7.612 1.00 0.00 N ATOM 202 CA LYS A 13 4.093 7.896 8.686 1.00 0.00 C ATOM 203 C LYS A 13 5.585 8.162 8.519 1.00 0.00 C ATOM 204 O LYS A 13 6.030 9.309 8.589 1.00 0.00 O ATOM 205 CB LYS A 13 3.824 7.248 10.045 1.00 0.00 C ATOM 206 CG LYS A 13 4.972 6.389 10.548 1.00 0.00 C ATOM 207 CD LYS A 13 4.916 6.214 12.058 1.00 0.00 C ATOM 208 CE LYS A 13 4.626 7.529 12.760 1.00 0.00 C ATOM 209 NZ LYS A 13 5.522 7.745 13.930 1.00 0.00 N ATOM 0 H LYS A 13 3.099 6.212 7.928 1.00 0.00 H new ATOM 0 HA LYS A 13 3.568 8.850 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.619 8.030 10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.926 6.634 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.936 5.412 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.921 6.847 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.145 5.487 12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.864 5.812 12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.746 8.351 12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.588 7.542 13.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.291 8.653 14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.389 6.974 14.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.512 7.758 13.611 1.00 0.00 H new ATOM 223 N ASN A 14 6.354 7.100 8.297 1.00 0.00 N ATOM 224 CA ASN A 14 7.791 7.228 8.122 1.00 0.00 C ATOM 225 C ASN A 14 8.135 7.584 6.680 1.00 0.00 C ATOM 226 O ASN A 14 9.301 7.791 6.344 1.00 0.00 O ATOM 227 CB ASN A 14 8.495 5.929 8.519 1.00 0.00 C ATOM 228 CG ASN A 14 7.949 5.342 9.805 1.00 0.00 C ATOM 229 OD1 ASN A 14 8.045 5.952 10.870 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.371 4.150 9.711 1.00 0.00 N ATOM 0 H ASN A 14 6.004 6.144 8.235 1.00 0.00 H new ATOM 0 HA ASN A 14 8.138 8.033 8.770 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.386 5.200 7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.562 6.119 8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.984 3.704 10.543 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.314 3.681 8.807 1.00 0.00 H new ATOM 237 N PHE A 15 7.114 7.658 5.833 1.00 0.00 N ATOM 238 CA PHE A 15 7.310 7.994 4.431 1.00 0.00 C ATOM 239 C PHE A 15 7.759 9.442 4.286 1.00 0.00 C ATOM 240 O PHE A 15 8.407 9.810 3.306 1.00 0.00 O ATOM 241 CB PHE A 15 6.021 7.762 3.641 1.00 0.00 C ATOM 242 CG PHE A 15 6.172 6.769 2.524 1.00 0.00 C ATOM 243 CD1 PHE A 15 6.854 5.580 2.724 1.00 0.00 C ATOM 244 CD2 PHE A 15 5.632 7.027 1.274 1.00 0.00 C ATOM 245 CE1 PHE A 15 6.995 4.665 1.698 1.00 0.00 C ATOM 246 CE2 PHE A 15 5.770 6.115 0.244 1.00 0.00 C ATOM 247 CZ PHE A 15 6.452 4.934 0.457 1.00 0.00 C ATOM 0 H PHE A 15 6.143 7.489 6.095 1.00 0.00 H new ATOM 0 HA PHE A 15 8.089 7.346 4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.244 7.415 4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.681 8.712 3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.280 5.366 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.098 7.950 1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.529 3.741 1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.345 6.326 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.561 4.221 -0.346 1.00 0.00 H new ATOM 257 N GLU A 16 7.406 10.256 5.274 1.00 0.00 N ATOM 258 CA GLU A 16 7.767 11.669 5.274 1.00 0.00 C ATOM 259 C GLU A 16 6.550 12.542 4.994 1.00 0.00 C ATOM 260 O GLU A 16 6.617 13.768 5.084 1.00 0.00 O ATOM 261 CB GLU A 16 8.856 11.944 4.235 1.00 0.00 C ATOM 262 CG GLU A 16 8.318 12.154 2.832 1.00 0.00 C ATOM 263 CD GLU A 16 8.640 13.531 2.283 1.00 0.00 C ATOM 264 OE1 GLU A 16 9.270 14.326 3.009 1.00 0.00 O ATOM 265 OE2 GLU A 16 8.262 13.812 1.126 1.00 0.00 O ATOM 0 H GLU A 16 6.868 9.960 6.089 1.00 0.00 H new ATOM 0 HA GLU A 16 8.151 11.917 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.418 12.828 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.556 11.109 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.736 11.396 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.237 12.012 2.836 1.00 0.00 H new ATOM 272 N LYS A 17 5.436 11.903 4.652 1.00 0.00 N ATOM 273 CA LYS A 17 4.204 12.622 4.358 1.00 0.00 C ATOM 274 C LYS A 17 3.692 13.356 5.594 1.00 0.00 C ATOM 275 O LYS A 17 3.368 14.542 5.533 1.00 0.00 O ATOM 276 CB LYS A 17 3.135 11.656 3.845 1.00 0.00 C ATOM 277 CG LYS A 17 2.862 11.788 2.355 1.00 0.00 C ATOM 278 CD LYS A 17 3.947 11.117 1.528 1.00 0.00 C ATOM 279 CE LYS A 17 5.044 12.098 1.147 1.00 0.00 C ATOM 280 NZ LYS A 17 4.536 13.179 0.258 1.00 0.00 N ATOM 0 H LYS A 17 5.362 10.889 4.572 1.00 0.00 H new ATOM 0 HA LYS A 17 4.420 13.359 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.447 10.634 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.208 11.828 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.896 11.342 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.799 12.843 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.377 10.290 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.508 10.692 0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.467 12.539 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.851 11.564 0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.219 13.349 -0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.623 12.893 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.410 14.052 0.810 1.00 0.00 H new ATOM 294 N VAL A 18 3.622 12.644 6.714 1.00 0.00 N ATOM 295 CA VAL A 18 3.150 13.232 7.962 1.00 0.00 C ATOM 296 C VAL A 18 3.065 12.187 9.069 1.00 0.00 C ATOM 297 O VAL A 18 3.137 10.986 8.809 1.00 0.00 O ATOM 298 CB VAL A 18 1.767 13.886 7.785 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.868 15.398 7.924 1.00 0.00 C ATOM 300 CG2 VAL A 18 1.165 13.507 6.441 1.00 0.00 C ATOM 0 H VAL A 18 3.886 11.661 6.783 1.00 0.00 H new ATOM 0 HA VAL A 18 3.875 13.996 8.244 1.00 0.00 H new ATOM 0 HB VAL A 18 1.108 13.515 8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.881 15.842 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.252 15.648 8.913 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.543 15.789 7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.188 13.978 6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.821 13.846 5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.053 12.424 6.385 1.00 0.00 H new ATOM 310 N ASP A 19 2.911 12.652 10.304 1.00 0.00 N ATOM 311 CA ASP A 19 2.814 11.759 11.450 1.00 0.00 C ATOM 312 C ASP A 19 1.540 10.924 11.380 1.00 0.00 C ATOM 313 O ASP A 19 0.437 11.463 11.293 1.00 0.00 O ATOM 314 CB ASP A 19 2.841 12.562 12.753 1.00 0.00 C ATOM 315 CG ASP A 19 4.195 13.193 13.015 1.00 0.00 C ATOM 316 OD1 ASP A 19 5.148 12.447 13.322 1.00 0.00 O ATOM 317 OD2 ASP A 19 4.301 14.433 12.913 1.00 0.00 O ATOM 0 H ASP A 19 2.851 13.643 10.536 1.00 0.00 H new ATOM 0 HA ASP A 19 3.671 11.086 11.429 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.081 13.343 12.711 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.581 11.908 13.585 1.00 0.00 H new ATOM 322 N ALA A 20 1.700 9.606 11.417 1.00 0.00 N ATOM 323 CA ALA A 20 0.562 8.696 11.356 1.00 0.00 C ATOM 324 C ALA A 20 -0.419 8.964 12.492 1.00 0.00 C ATOM 325 O ALA A 20 -1.578 8.556 12.433 1.00 0.00 O ATOM 326 CB ALA A 20 1.038 7.252 11.399 1.00 0.00 C ATOM 0 H ALA A 20 2.606 9.144 11.489 1.00 0.00 H new ATOM 0 HA ALA A 20 0.042 8.869 10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.178 6.584 11.353 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.693 7.059 10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.584 7.076 12.326 1.00 0.00 H new ATOM 332 N SER A 21 0.055 9.652 13.525 1.00 0.00 N ATOM 333 CA SER A 21 -0.779 9.974 14.675 1.00 0.00 C ATOM 334 C SER A 21 -1.886 10.950 14.290 1.00 0.00 C ATOM 335 O SER A 21 -2.900 11.058 14.979 1.00 0.00 O ATOM 336 CB SER A 21 0.072 10.567 15.799 1.00 0.00 C ATOM 337 OG SER A 21 -0.671 11.502 16.562 1.00 0.00 O ATOM 0 H SER A 21 1.013 9.997 13.589 1.00 0.00 H new ATOM 0 HA SER A 21 -1.240 9.051 15.026 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.432 9.768 16.447 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.950 11.054 15.376 1.00 0.00 H new ATOM 0 HG SER A 21 -0.105 11.865 17.275 1.00 0.00 H new ATOM 343 N LYS A 22 -1.683 11.658 13.186 1.00 0.00 N ATOM 344 CA LYS A 22 -2.659 12.626 12.707 1.00 0.00 C ATOM 345 C LYS A 22 -3.772 11.938 11.924 1.00 0.00 C ATOM 346 O LYS A 22 -4.830 12.521 11.687 1.00 0.00 O ATOM 347 CB LYS A 22 -1.978 13.676 11.828 1.00 0.00 C ATOM 348 CG LYS A 22 -1.634 13.172 10.436 1.00 0.00 C ATOM 349 CD LYS A 22 -0.626 14.079 9.750 1.00 0.00 C ATOM 350 CE LYS A 22 -0.911 15.545 10.033 1.00 0.00 C ATOM 351 NZ LYS A 22 -1.125 16.322 8.780 1.00 0.00 N ATOM 0 H LYS A 22 -0.849 11.579 12.605 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.100 13.117 13.575 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.632 14.544 11.740 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.065 14.013 12.319 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.230 12.162 10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.541 13.113 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.379 13.831 10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.650 13.904 8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.794 15.627 10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.079 15.976 10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.404 17.068 8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.050 15.686 7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.070 16.755 8.797 1.00 0.00 H new ATOM 365 N VAL A 23 -3.526 10.696 11.523 1.00 0.00 N ATOM 366 CA VAL A 23 -4.504 9.932 10.763 1.00 0.00 C ATOM 367 C VAL A 23 -5.551 9.303 11.676 1.00 0.00 C ATOM 368 O VAL A 23 -5.218 8.573 12.610 1.00 0.00 O ATOM 369 CB VAL A 23 -3.829 8.821 9.936 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.411 9.221 9.560 1.00 0.00 C ATOM 371 CG2 VAL A 23 -3.834 7.507 10.703 1.00 0.00 C ATOM 0 H VAL A 23 -2.656 10.198 11.713 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.993 10.635 10.088 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.398 8.681 9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.951 8.424 8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.436 10.136 8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.828 9.390 10.466 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.353 6.734 10.104 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.290 7.630 11.640 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.862 7.214 10.916 1.00 0.00 H new ATOM 381 N THR A 24 -6.818 9.588 11.395 1.00 0.00 N ATOM 382 CA THR A 24 -7.914 9.053 12.178 1.00 0.00 C ATOM 383 C THR A 24 -8.762 8.098 11.339 1.00 0.00 C ATOM 384 O THR A 24 -8.740 8.152 10.110 1.00 0.00 O ATOM 385 CB THR A 24 -8.779 10.187 12.734 1.00 0.00 C ATOM 386 OG1 THR A 24 -10.008 9.687 13.225 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.096 11.256 11.711 1.00 0.00 C ATOM 0 H THR A 24 -7.107 10.191 10.625 1.00 0.00 H new ATOM 0 HA THR A 24 -7.495 8.494 13.015 1.00 0.00 H new ATOM 0 HB THR A 24 -8.187 10.634 13.533 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.545 10.427 13.577 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.712 12.029 12.171 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.168 11.699 11.348 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.637 10.811 10.875 1.00 0.00 H new ATOM 395 N PRO A 25 -9.512 7.202 11.997 1.00 0.00 N ATOM 396 CA PRO A 25 -10.361 6.220 11.309 1.00 0.00 C ATOM 397 C PRO A 25 -11.358 6.865 10.350 1.00 0.00 C ATOM 398 O PRO A 25 -11.664 6.309 9.296 1.00 0.00 O ATOM 399 CB PRO A 25 -11.101 5.523 12.455 1.00 0.00 C ATOM 400 CG PRO A 25 -10.234 5.725 13.650 1.00 0.00 C ATOM 401 CD PRO A 25 -9.579 7.064 13.462 1.00 0.00 C ATOM 0 HA PRO A 25 -9.770 5.547 10.687 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.090 5.955 12.607 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.245 4.463 12.246 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.822 5.703 14.567 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.489 4.934 13.730 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.162 7.865 13.916 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.588 7.095 13.915 1.00 0.00 H new ATOM 409 N GLU A 26 -11.864 8.037 10.720 1.00 0.00 N ATOM 410 CA GLU A 26 -12.827 8.747 9.891 1.00 0.00 C ATOM 411 C GLU A 26 -12.151 9.857 9.091 1.00 0.00 C ATOM 412 O GLU A 26 -12.803 10.570 8.329 1.00 0.00 O ATOM 413 CB GLU A 26 -13.942 9.334 10.757 1.00 0.00 C ATOM 414 CG GLU A 26 -13.753 10.807 11.078 1.00 0.00 C ATOM 415 CD GLU A 26 -14.609 11.707 10.208 1.00 0.00 C ATOM 416 OE1 GLU A 26 -14.835 11.355 9.031 1.00 0.00 O ATOM 417 OE2 GLU A 26 -15.054 12.763 10.704 1.00 0.00 O ATOM 0 H GLU A 26 -11.622 8.514 11.589 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.257 8.032 9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.895 9.202 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.000 8.772 11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.997 10.981 12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.704 11.072 10.947 1.00 0.00 H new ATOM 424 N SER A 27 -10.842 10.000 9.273 1.00 0.00 N ATOM 425 CA SER A 27 -10.081 11.026 8.572 1.00 0.00 C ATOM 426 C SER A 27 -10.034 10.751 7.073 1.00 0.00 C ATOM 427 O SER A 27 -9.967 9.599 6.643 1.00 0.00 O ATOM 428 CB SER A 27 -8.659 11.105 9.129 1.00 0.00 C ATOM 429 OG SER A 27 -7.698 10.979 8.096 1.00 0.00 O ATOM 0 H SER A 27 -10.287 9.418 9.900 1.00 0.00 H new ATOM 0 HA SER A 27 -10.583 11.980 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.520 12.055 9.645 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.510 10.316 9.867 1.00 0.00 H new ATOM 0 HG SER A 27 -6.855 11.390 8.381 1.00 0.00 H new ATOM 435 N HIS A 28 -10.064 11.819 6.284 1.00 0.00 N ATOM 436 CA HIS A 28 -10.021 11.704 4.836 1.00 0.00 C ATOM 437 C HIS A 28 -8.592 11.478 4.355 1.00 0.00 C ATOM 438 O HIS A 28 -7.637 11.938 4.980 1.00 0.00 O ATOM 439 CB HIS A 28 -10.602 12.960 4.184 1.00 0.00 C ATOM 440 CG HIS A 28 -12.040 12.820 3.792 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.463 12.013 2.756 1.00 0.00 N ATOM 442 CD2 HIS A 28 -13.158 13.388 4.304 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.777 12.093 2.646 1.00 0.00 C ATOM 444 NE2 HIS A 28 -14.223 12.919 3.575 1.00 0.00 N ATOM 0 H HIS A 28 -10.118 12.778 6.628 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.625 10.844 4.545 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.502 13.797 4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.015 13.205 3.299 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -11.856 11.443 2.167 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.203 14.081 5.131 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.383 11.572 1.920 1.00 0.00 H new ATOM 453 N PHE A 29 -8.449 10.762 3.245 1.00 0.00 N ATOM 454 CA PHE A 29 -7.134 10.472 2.691 1.00 0.00 C ATOM 455 C PHE A 29 -6.467 11.740 2.168 1.00 0.00 C ATOM 456 O PHE A 29 -5.683 12.377 2.870 1.00 0.00 O ATOM 457 CB PHE A 29 -7.244 9.434 1.572 1.00 0.00 C ATOM 458 CG PHE A 29 -6.005 8.602 1.401 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.751 9.191 1.410 1.00 0.00 C ATOM 460 CD2 PHE A 29 -6.096 7.229 1.233 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.610 8.427 1.253 1.00 0.00 C ATOM 462 CE2 PHE A 29 -4.958 6.460 1.076 1.00 0.00 C ATOM 463 CZ PHE A 29 -3.714 7.059 1.086 1.00 0.00 C ATOM 0 H PHE A 29 -9.227 10.373 2.713 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.514 10.066 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.088 8.776 1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.461 9.945 0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.664 10.259 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.066 6.755 1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.638 8.898 1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.042 5.391 0.946 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.824 6.460 0.964 1.00 0.00 H new ATOM 473 N VAL A 30 -6.784 12.096 0.933 1.00 0.00 N ATOM 474 CA VAL A 30 -6.215 13.285 0.308 1.00 0.00 C ATOM 475 C VAL A 30 -6.577 14.544 1.082 1.00 0.00 C ATOM 476 O VAL A 30 -5.811 15.508 1.119 1.00 0.00 O ATOM 477 CB VAL A 30 -6.688 13.437 -1.150 1.00 0.00 C ATOM 478 CG1 VAL A 30 -6.222 12.258 -1.990 1.00 0.00 C ATOM 479 CG2 VAL A 30 -8.202 13.577 -1.207 1.00 0.00 C ATOM 0 H VAL A 30 -7.434 11.579 0.341 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.133 13.156 0.319 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.246 14.343 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.566 12.384 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.133 12.209 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.632 11.335 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.519 13.683 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.666 12.690 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.507 14.458 -0.642 1.00 0.00 H new ATOM 489 N LYS A 31 -7.749 14.527 1.693 1.00 0.00 N ATOM 490 CA LYS A 31 -8.229 15.664 2.467 1.00 0.00 C ATOM 491 C LYS A 31 -7.420 15.838 3.749 1.00 0.00 C ATOM 492 O LYS A 31 -7.195 16.960 4.204 1.00 0.00 O ATOM 493 CB LYS A 31 -9.710 15.489 2.805 1.00 0.00 C ATOM 494 CG LYS A 31 -10.500 14.773 1.721 1.00 0.00 C ATOM 495 CD LYS A 31 -11.988 14.765 2.032 1.00 0.00 C ATOM 496 CE LYS A 31 -12.715 15.885 1.305 1.00 0.00 C ATOM 497 NZ LYS A 31 -14.109 15.502 0.947 1.00 0.00 N ATOM 0 H LYS A 31 -8.391 13.734 1.669 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.104 16.560 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.798 14.930 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.153 16.470 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.330 15.262 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.142 13.748 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.416 13.805 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.137 14.871 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.733 16.775 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.167 16.146 0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.570 16.292 0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.091 14.668 0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.640 15.277 1.812 1.00 0.00 H new ATOM 511 N ASP A 32 -6.992 14.723 4.331 1.00 0.00 N ATOM 512 CA ASP A 32 -6.217 14.751 5.559 1.00 0.00 C ATOM 513 C ASP A 32 -4.729 14.908 5.269 1.00 0.00 C ATOM 514 O ASP A 32 -3.894 14.758 6.161 1.00 0.00 O ATOM 515 CB ASP A 32 -6.459 13.477 6.371 1.00 0.00 C ATOM 516 CG ASP A 32 -5.922 13.581 7.785 1.00 0.00 C ATOM 517 OD1 ASP A 32 -5.890 14.706 8.326 1.00 0.00 O ATOM 518 OD2 ASP A 32 -5.533 12.538 8.351 1.00 0.00 O ATOM 0 H ASP A 32 -7.171 13.787 3.968 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.544 15.613 6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.529 13.270 6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.987 12.633 5.867 1.00 0.00 H new ATOM 523 N LEU A 33 -4.403 15.208 4.015 1.00 0.00 N ATOM 524 CA LEU A 33 -3.015 15.384 3.603 1.00 0.00 C ATOM 525 C LEU A 33 -2.501 14.144 2.880 1.00 0.00 C ATOM 526 O LEU A 33 -1.379 13.697 3.113 1.00 0.00 O ATOM 527 CB LEU A 33 -2.131 15.686 4.815 1.00 0.00 C ATOM 528 CG LEU A 33 -2.556 16.901 5.641 1.00 0.00 C ATOM 529 CD1 LEU A 33 -1.377 17.451 6.429 1.00 0.00 C ATOM 530 CD2 LEU A 33 -3.144 17.978 4.740 1.00 0.00 C ATOM 0 H LEU A 33 -5.083 15.334 3.266 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.973 16.228 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.120 14.811 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.109 15.840 4.470 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.323 16.585 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.699 18.315 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.998 16.682 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.587 17.751 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.441 18.835 5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.397 18.290 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.016 17.581 4.220 1.00 0.00 H new ATOM 542 N GLY A 34 -3.332 13.593 2.001 1.00 0.00 N ATOM 543 CA GLY A 34 -2.947 12.408 1.257 1.00 0.00 C ATOM 544 C GLY A 34 -1.576 12.540 0.623 1.00 0.00 C ATOM 545 O GLY A 34 -1.113 13.648 0.354 1.00 0.00 O ATOM 0 H GLY A 34 -4.265 13.946 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.954 11.546 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.686 12.215 0.480 1.00 0.00 H new ATOM 549 N LEU A 35 -0.926 11.406 0.386 1.00 0.00 N ATOM 550 CA LEU A 35 0.400 11.397 -0.218 1.00 0.00 C ATOM 551 C LEU A 35 0.347 11.909 -1.653 1.00 0.00 C ATOM 552 O LEU A 35 -0.694 11.851 -2.307 1.00 0.00 O ATOM 553 CB LEU A 35 0.985 9.984 -0.193 1.00 0.00 C ATOM 554 CG LEU A 35 1.168 9.382 1.202 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.184 9.999 2.184 1.00 0.00 C ATOM 556 CD2 LEU A 35 1.000 7.872 1.154 1.00 0.00 C ATOM 0 H LEU A 35 -1.297 10.481 0.603 1.00 0.00 H new ATOM 0 HA LEU A 35 1.041 12.060 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.335 9.328 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.952 9.999 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 35 2.178 9.606 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.330 9.558 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.351 11.075 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.835 9.807 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.133 7.459 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.002 7.628 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.745 7.444 0.483 1.00 0.00 H new ATOM 568 N ASN A 36 1.478 12.410 -2.139 1.00 0.00 N ATOM 569 CA ASN A 36 1.562 12.931 -3.497 1.00 0.00 C ATOM 570 C ASN A 36 1.344 11.819 -4.518 1.00 0.00 C ATOM 571 O ASN A 36 1.128 10.663 -4.154 1.00 0.00 O ATOM 572 CB ASN A 36 2.923 13.591 -3.727 1.00 0.00 C ATOM 573 CG ASN A 36 2.907 14.557 -4.895 1.00 0.00 C ATOM 574 OD1 ASN A 36 2.506 15.712 -4.756 1.00 0.00 O ATOM 575 ND2 ASN A 36 3.343 14.083 -6.054 1.00 0.00 N ATOM 0 H ASN A 36 2.349 12.466 -1.611 1.00 0.00 H new ATOM 0 HA ASN A 36 0.778 13.677 -3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.223 14.122 -2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.672 12.820 -3.907 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.355 14.684 -6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.666 13.118 -6.121 1.00 0.00 H new ATOM 582 N SER A 37 1.404 12.175 -5.796 1.00 0.00 N ATOM 583 CA SER A 37 1.214 11.205 -6.868 1.00 0.00 C ATOM 584 C SER A 37 2.302 10.142 -6.832 1.00 0.00 C ATOM 585 O SER A 37 2.026 8.956 -6.652 1.00 0.00 O ATOM 586 CB SER A 37 1.214 11.906 -8.228 1.00 0.00 C ATOM 587 OG SER A 37 1.401 13.304 -8.081 1.00 0.00 O ATOM 0 H SER A 37 1.583 13.127 -6.115 1.00 0.00 H new ATOM 0 HA SER A 37 0.249 10.720 -6.720 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.006 11.494 -8.853 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.271 11.714 -8.740 1.00 0.00 H new ATOM 592 N LEU A 38 3.537 10.583 -7.001 1.00 0.00 N ATOM 593 CA LEU A 38 4.684 9.682 -6.988 1.00 0.00 C ATOM 594 C LEU A 38 4.721 8.871 -5.700 1.00 0.00 C ATOM 595 O LEU A 38 5.229 7.750 -5.670 1.00 0.00 O ATOM 596 CB LEU A 38 5.984 10.474 -7.145 1.00 0.00 C ATOM 597 CG LEU A 38 6.485 11.162 -5.872 1.00 0.00 C ATOM 598 CD1 LEU A 38 5.469 12.179 -5.380 1.00 0.00 C ATOM 599 CD2 LEU A 38 6.781 10.134 -4.790 1.00 0.00 C ATOM 0 H LEU A 38 3.775 11.564 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 38 4.584 8.994 -7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.761 9.799 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.839 11.231 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 38 7.410 11.688 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.842 12.658 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.308 12.934 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.527 11.676 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.136 10.642 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.872 9.579 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.547 9.444 -5.144 1.00 0.00 H new ATOM 611 N ASP A 39 4.175 9.448 -4.638 1.00 0.00 N ATOM 612 CA ASP A 39 4.142 8.783 -3.343 1.00 0.00 C ATOM 613 C ASP A 39 3.070 7.705 -3.318 1.00 0.00 C ATOM 614 O ASP A 39 3.350 6.529 -3.552 1.00 0.00 O ATOM 615 CB ASP A 39 3.893 9.801 -2.228 1.00 0.00 C ATOM 616 CG ASP A 39 3.945 9.171 -0.849 1.00 0.00 C ATOM 617 OD1 ASP A 39 3.059 8.347 -0.538 1.00 0.00 O ATOM 618 OD2 ASP A 39 4.873 9.500 -0.081 1.00 0.00 O ATOM 0 H ASP A 39 3.749 10.375 -4.648 1.00 0.00 H new ATOM 0 HA ASP A 39 5.110 8.310 -3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.638 10.594 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.919 10.267 -2.375 1.00 0.00 H new ATOM 623 N VAL A 40 1.844 8.114 -3.036 1.00 0.00 N ATOM 624 CA VAL A 40 0.721 7.186 -2.978 1.00 0.00 C ATOM 625 C VAL A 40 0.936 6.006 -3.920 1.00 0.00 C ATOM 626 O VAL A 40 0.498 4.891 -3.642 1.00 0.00 O ATOM 627 CB VAL A 40 -0.606 7.880 -3.337 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.023 7.538 -4.759 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.692 7.491 -2.346 1.00 0.00 C ATOM 0 H VAL A 40 1.598 9.085 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 40 0.664 6.825 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.459 8.959 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.963 8.038 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.252 7.871 -5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.153 6.460 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.624 7.990 -2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.838 6.411 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.394 7.793 -1.342 1.00 0.00 H new ATOM 639 N VAL A 41 1.611 6.258 -5.037 1.00 0.00 N ATOM 640 CA VAL A 41 1.879 5.215 -6.016 1.00 0.00 C ATOM 641 C VAL A 41 2.942 4.245 -5.511 1.00 0.00 C ATOM 642 O VAL A 41 2.792 3.031 -5.631 1.00 0.00 O ATOM 643 CB VAL A 41 2.339 5.800 -7.364 1.00 0.00 C ATOM 644 CG1 VAL A 41 3.403 6.866 -7.152 1.00 0.00 C ATOM 645 CG2 VAL A 41 2.854 4.696 -8.274 1.00 0.00 C ATOM 0 H VAL A 41 1.981 7.175 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 41 0.940 4.682 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 41 1.482 6.270 -7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.714 7.266 -8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.995 7.670 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.263 6.426 -6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.175 5.126 -9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.698 4.196 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.059 3.973 -8.455 1.00 0.00 H new ATOM 655 N GLU A 42 4.018 4.788 -4.949 1.00 0.00 N ATOM 656 CA GLU A 42 5.102 3.966 -4.430 1.00 0.00 C ATOM 657 C GLU A 42 4.658 3.208 -3.188 1.00 0.00 C ATOM 658 O GLU A 42 4.941 2.019 -3.032 1.00 0.00 O ATOM 659 CB GLU A 42 6.321 4.832 -4.108 1.00 0.00 C ATOM 660 CG GLU A 42 6.480 5.133 -2.627 1.00 0.00 C ATOM 661 CD GLU A 42 7.889 5.562 -2.267 1.00 0.00 C ATOM 662 OE1 GLU A 42 8.242 6.729 -2.537 1.00 0.00 O ATOM 663 OE2 GLU A 42 8.640 4.729 -1.716 1.00 0.00 O ATOM 0 H GLU A 42 4.161 5.792 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 42 5.376 3.242 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.219 4.328 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.243 5.772 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.781 5.920 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.215 4.247 -2.050 1.00 0.00 H new ATOM 670 N VAL A 43 3.956 3.909 -2.313 1.00 0.00 N ATOM 671 CA VAL A 43 3.455 3.323 -1.079 1.00 0.00 C ATOM 672 C VAL A 43 2.371 2.300 -1.371 1.00 0.00 C ATOM 673 O VAL A 43 2.418 1.167 -0.891 1.00 0.00 O ATOM 674 CB VAL A 43 2.891 4.402 -0.135 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.678 5.709 -0.885 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.601 3.932 0.504 1.00 0.00 C ATOM 0 H VAL A 43 3.718 4.893 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 43 4.296 2.832 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 43 3.617 4.578 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.279 6.459 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.629 6.055 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.973 5.550 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.219 4.709 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.865 3.724 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.789 3.025 1.078 1.00 0.00 H new ATOM 686 N VAL A 44 1.405 2.711 -2.174 1.00 0.00 N ATOM 687 CA VAL A 44 0.303 1.844 -2.559 1.00 0.00 C ATOM 688 C VAL A 44 0.836 0.590 -3.232 1.00 0.00 C ATOM 689 O VAL A 44 0.289 -0.502 -3.077 1.00 0.00 O ATOM 690 CB VAL A 44 -0.649 2.557 -3.533 1.00 0.00 C ATOM 691 CG1 VAL A 44 0.050 2.822 -4.856 1.00 0.00 C ATOM 692 CG2 VAL A 44 -1.915 1.742 -3.741 1.00 0.00 C ATOM 0 H VAL A 44 1.361 3.648 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.243 1.582 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.935 3.515 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.636 3.327 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.923 3.453 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.366 1.876 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.575 2.265 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.656 0.767 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.423 1.609 -2.786 1.00 0.00 H new ATOM 702 N PHE A 45 1.915 0.768 -3.982 1.00 0.00 N ATOM 703 CA PHE A 45 2.550 -0.325 -4.693 1.00 0.00 C ATOM 704 C PHE A 45 3.325 -1.216 -3.734 1.00 0.00 C ATOM 705 O PHE A 45 3.440 -2.425 -3.936 1.00 0.00 O ATOM 706 CB PHE A 45 3.488 0.235 -5.755 1.00 0.00 C ATOM 707 CG PHE A 45 3.032 -0.045 -7.150 1.00 0.00 C ATOM 708 CD1 PHE A 45 3.355 -1.242 -7.750 1.00 0.00 C ATOM 709 CD2 PHE A 45 2.285 0.884 -7.855 1.00 0.00 C ATOM 710 CE1 PHE A 45 2.941 -1.520 -9.040 1.00 0.00 C ATOM 711 CE2 PHE A 45 1.867 0.616 -9.145 1.00 0.00 C ATOM 712 CZ PHE A 45 2.196 -0.589 -9.738 1.00 0.00 C ATOM 0 H PHE A 45 2.371 1.671 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 45 1.777 -0.927 -5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.579 1.313 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.482 -0.189 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.938 -1.971 -7.207 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.027 1.826 -7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.199 -2.462 -9.500 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.285 1.346 -9.688 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.871 -0.802 -10.746 1.00 0.00 H new ATOM 722 N ALA A 46 3.856 -0.597 -2.696 1.00 0.00 N ATOM 723 CA ALA A 46 4.634 -1.304 -1.688 1.00 0.00 C ATOM 724 C ALA A 46 3.788 -2.344 -0.967 1.00 0.00 C ATOM 725 O ALA A 46 4.183 -3.502 -0.835 1.00 0.00 O ATOM 726 CB ALA A 46 5.225 -0.318 -0.691 1.00 0.00 C ATOM 0 H ALA A 46 3.763 0.404 -2.526 1.00 0.00 H new ATOM 0 HA ALA A 46 5.447 -1.825 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.804 -0.860 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.874 0.384 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.420 0.230 -0.200 1.00 0.00 H new ATOM 732 N ILE A 47 2.624 -1.920 -0.502 1.00 0.00 N ATOM 733 CA ILE A 47 1.714 -2.810 0.209 1.00 0.00 C ATOM 734 C ILE A 47 1.260 -3.957 -0.685 1.00 0.00 C ATOM 735 O ILE A 47 1.165 -5.104 -0.244 1.00 0.00 O ATOM 736 CB ILE A 47 0.473 -2.059 0.729 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.218 -0.800 -0.102 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.647 -1.704 2.198 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.676 0.473 0.576 1.00 0.00 C ATOM 0 H ILE A 47 2.285 -0.963 -0.603 1.00 0.00 H new ATOM 0 HA ILE A 47 2.267 -3.208 1.060 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.393 -2.713 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.729 -0.897 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.848 -0.725 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.237 -1.174 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.780 -2.616 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.523 -1.067 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.464 1.325 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.146 0.593 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.748 0.419 0.766 1.00 0.00 H new ATOM 751 N GLU A 48 0.984 -3.649 -1.947 1.00 0.00 N ATOM 752 CA GLU A 48 0.543 -4.663 -2.893 1.00 0.00 C ATOM 753 C GLU A 48 1.545 -5.806 -2.947 1.00 0.00 C ATOM 754 O GLU A 48 1.172 -6.974 -3.076 1.00 0.00 O ATOM 755 CB GLU A 48 0.358 -4.050 -4.282 1.00 0.00 C ATOM 756 CG GLU A 48 1.407 -4.489 -5.291 1.00 0.00 C ATOM 757 CD GLU A 48 1.381 -5.983 -5.547 1.00 0.00 C ATOM 758 OE1 GLU A 48 0.396 -6.466 -6.144 1.00 0.00 O ATOM 759 OE2 GLU A 48 2.347 -6.670 -5.152 1.00 0.00 O ATOM 0 H GLU A 48 1.058 -2.709 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.416 -5.058 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.629 -4.318 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.382 -2.964 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.246 -3.960 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.395 -4.203 -4.930 1.00 0.00 H new ATOM 766 N GLN A 49 2.817 -5.460 -2.825 1.00 0.00 N ATOM 767 CA GLN A 49 3.882 -6.450 -2.840 1.00 0.00 C ATOM 768 C GLN A 49 3.786 -7.346 -1.611 1.00 0.00 C ATOM 769 O GLN A 49 3.903 -8.567 -1.711 1.00 0.00 O ATOM 770 CB GLN A 49 5.249 -5.768 -2.890 1.00 0.00 C ATOM 771 CG GLN A 49 5.863 -5.532 -1.519 1.00 0.00 C ATOM 772 CD GLN A 49 6.924 -4.450 -1.535 1.00 0.00 C ATOM 773 OE1 GLN A 49 7.954 -4.563 -0.872 1.00 0.00 O ATOM 774 NE2 GLN A 49 6.675 -3.391 -2.298 1.00 0.00 N ATOM 0 H GLN A 49 3.137 -4.498 -2.714 1.00 0.00 H new ATOM 0 HA GLN A 49 3.769 -7.064 -3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.929 -6.380 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.150 -4.812 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.077 -5.255 -0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.302 -6.461 -1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.807 -3.339 -2.831 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.352 -2.630 -2.350 1.00 0.00 H new ATOM 783 N GLU A 50 3.564 -6.731 -0.451 1.00 0.00 N ATOM 784 CA GLU A 50 3.444 -7.476 0.787 1.00 0.00 C ATOM 785 C GLU A 50 1.978 -7.649 1.174 1.00 0.00 C ATOM 786 O GLU A 50 1.629 -7.658 2.355 1.00 0.00 O ATOM 787 CB GLU A 50 4.206 -6.769 1.909 1.00 0.00 C ATOM 788 CG GLU A 50 3.769 -7.190 3.303 1.00 0.00 C ATOM 789 CD GLU A 50 2.765 -6.231 3.913 1.00 0.00 C ATOM 790 OE1 GLU A 50 2.281 -5.338 3.188 1.00 0.00 O ATOM 791 OE2 GLU A 50 2.464 -6.375 5.117 1.00 0.00 O ATOM 0 H GLU A 50 3.465 -5.721 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 50 3.879 -8.464 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.271 -6.970 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.072 -5.692 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.332 -8.187 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.644 -7.255 3.950 1.00 0.00 H new ATOM 798 N PHE A 51 1.125 -7.791 0.164 1.00 0.00 N ATOM 799 CA PHE A 51 -0.300 -7.971 0.379 1.00 0.00 C ATOM 800 C PHE A 51 -0.878 -9.050 -0.541 1.00 0.00 C ATOM 801 O PHE A 51 -1.978 -9.548 -0.302 1.00 0.00 O ATOM 802 CB PHE A 51 -1.046 -6.651 0.168 1.00 0.00 C ATOM 803 CG PHE A 51 -1.263 -5.872 1.434 1.00 0.00 C ATOM 804 CD1 PHE A 51 -0.203 -5.244 2.066 1.00 0.00 C ATOM 805 CD2 PHE A 51 -2.529 -5.765 1.987 1.00 0.00 C ATOM 806 CE1 PHE A 51 -0.400 -4.525 3.229 1.00 0.00 C ATOM 807 CE2 PHE A 51 -2.732 -5.048 3.150 1.00 0.00 C ATOM 808 CZ PHE A 51 -1.667 -4.427 3.772 1.00 0.00 C ATOM 0 H PHE A 51 1.403 -7.784 -0.817 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.435 -8.298 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.486 -6.035 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.013 -6.859 -0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.789 -5.317 1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.366 -6.247 1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.435 -4.040 3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.723 -4.973 3.573 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.824 -3.866 4.681 1.00 0.00 H new ATOM 818 N ILE A 52 -0.139 -9.411 -1.590 1.00 0.00 N ATOM 819 CA ILE A 52 -0.592 -10.429 -2.532 1.00 0.00 C ATOM 820 C ILE A 52 -1.832 -9.967 -3.286 1.00 0.00 C ATOM 821 O ILE A 52 -2.719 -10.762 -3.595 1.00 0.00 O ATOM 822 CB ILE A 52 -0.907 -11.757 -1.818 1.00 0.00 C ATOM 823 CG1 ILE A 52 -0.239 -11.794 -0.446 1.00 0.00 C ATOM 824 CG2 ILE A 52 -0.455 -12.936 -2.667 1.00 0.00 C ATOM 825 CD1 ILE A 52 -1.225 -11.850 0.700 1.00 0.00 C ATOM 0 H ILE A 52 0.775 -9.013 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 52 0.223 -10.589 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.985 -11.829 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.418 -12.662 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.390 -10.911 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.685 -13.867 -2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.976 -12.916 -3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.620 -12.871 -2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.683 -11.874 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.866 -10.969 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.837 -12.747 0.610 1.00 0.00 H new ATOM 837 N LEU A 53 -1.884 -8.674 -3.582 1.00 0.00 N ATOM 838 CA LEU A 53 -3.007 -8.096 -4.303 1.00 0.00 C ATOM 839 C LEU A 53 -2.658 -6.702 -4.812 1.00 0.00 C ATOM 840 O LEU A 53 -1.798 -6.023 -4.250 1.00 0.00 O ATOM 841 CB LEU A 53 -4.244 -8.034 -3.405 1.00 0.00 C ATOM 842 CG LEU A 53 -5.550 -8.463 -4.075 1.00 0.00 C ATOM 843 CD1 LEU A 53 -6.227 -7.272 -4.736 1.00 0.00 C ATOM 844 CD2 LEU A 53 -5.291 -9.564 -5.092 1.00 0.00 C ATOM 0 H LEU A 53 -1.157 -8.004 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.227 -8.733 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.075 -8.667 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.359 -7.014 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.218 -8.855 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.155 -7.596 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.448 -6.515 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.564 -6.850 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.231 -9.857 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.605 -9.199 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.851 -10.426 -4.591 1.00 0.00 H new ATOM 856 N ASP A 54 -3.326 -6.281 -5.880 1.00 0.00 N ATOM 857 CA ASP A 54 -3.081 -4.972 -6.461 1.00 0.00 C ATOM 858 C ASP A 54 -3.794 -3.883 -5.668 1.00 0.00 C ATOM 859 O ASP A 54 -4.907 -4.082 -5.183 1.00 0.00 O ATOM 860 CB ASP A 54 -3.542 -4.943 -7.921 1.00 0.00 C ATOM 861 CG ASP A 54 -4.559 -3.850 -8.184 1.00 0.00 C ATOM 862 OD1 ASP A 54 -4.165 -2.665 -8.199 1.00 0.00 O ATOM 863 OD2 ASP A 54 -5.749 -4.179 -8.373 1.00 0.00 O ATOM 0 H ASP A 54 -4.041 -6.829 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.009 -4.780 -6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.678 -4.795 -8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.975 -5.909 -8.182 1.00 0.00 H new ATOM 868 N ILE A 55 -3.143 -2.731 -5.541 1.00 0.00 N ATOM 869 CA ILE A 55 -3.712 -1.612 -4.807 1.00 0.00 C ATOM 870 C ILE A 55 -3.849 -0.377 -5.691 1.00 0.00 C ATOM 871 O ILE A 55 -4.959 0.079 -5.966 1.00 0.00 O ATOM 872 CB ILE A 55 -2.865 -1.258 -3.569 1.00 0.00 C ATOM 873 CG1 ILE A 55 -2.485 -2.524 -2.800 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.624 -0.292 -2.670 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.524 -3.621 -2.886 1.00 0.00 C ATOM 0 H ILE A 55 -2.221 -2.550 -5.938 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.703 -1.926 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.948 -0.773 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.538 -2.902 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.325 -2.268 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.015 -0.050 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.846 0.621 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.556 -0.754 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.186 -4.487 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.467 -3.262 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.668 -3.905 -3.928 1.00 0.00 H new ATOM 887 N PRO A 56 -2.719 0.185 -6.150 1.00 0.00 N ATOM 888 CA PRO A 56 -2.713 1.372 -7.005 1.00 0.00 C ATOM 889 C PRO A 56 -3.719 1.267 -8.146 1.00 0.00 C ATOM 890 O PRO A 56 -4.589 0.397 -8.140 1.00 0.00 O ATOM 891 CB PRO A 56 -1.278 1.426 -7.556 1.00 0.00 C ATOM 892 CG PRO A 56 -0.613 0.166 -7.099 1.00 0.00 C ATOM 893 CD PRO A 56 -1.359 -0.286 -5.879 1.00 0.00 C ATOM 0 HA PRO A 56 -2.998 2.267 -6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.280 1.494 -8.644 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.750 2.303 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.645 -0.595 -7.878 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.438 0.342 -6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.321 -1.368 -5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.951 0.152 -4.968 1.00 0.00 H new ATOM 901 N ASP A 57 -3.597 2.162 -9.119 1.00 0.00 N ATOM 902 CA ASP A 57 -4.498 2.172 -10.265 1.00 0.00 C ATOM 903 C ASP A 57 -5.884 2.662 -9.858 1.00 0.00 C ATOM 904 O ASP A 57 -6.027 3.422 -8.902 1.00 0.00 O ATOM 905 CB ASP A 57 -4.597 0.773 -10.875 1.00 0.00 C ATOM 906 CG ASP A 57 -3.245 0.100 -11.003 1.00 0.00 C ATOM 907 OD1 ASP A 57 -2.230 0.821 -11.111 1.00 0.00 O ATOM 908 OD2 ASP A 57 -3.199 -1.149 -10.993 1.00 0.00 O ATOM 0 H ASP A 57 -2.883 2.890 -9.137 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.093 2.856 -11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.250 0.156 -10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.060 0.841 -11.859 1.00 0.00 H new ATOM 913 N HIS A 58 -6.901 2.220 -10.591 1.00 0.00 N ATOM 914 CA HIS A 58 -8.274 2.614 -10.305 1.00 0.00 C ATOM 915 C HIS A 58 -8.711 2.113 -8.932 1.00 0.00 C ATOM 916 O HIS A 58 -9.559 2.722 -8.279 1.00 0.00 O ATOM 917 CB HIS A 58 -9.217 2.074 -11.381 1.00 0.00 C ATOM 918 CG HIS A 58 -9.780 3.137 -12.272 1.00 0.00 C ATOM 919 ND1 HIS A 58 -11.070 3.106 -12.759 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.222 4.269 -12.765 1.00 0.00 C ATOM 921 CE1 HIS A 58 -11.281 4.172 -13.512 1.00 0.00 C ATOM 922 NE2 HIS A 58 -10.175 4.892 -13.531 1.00 0.00 N ATOM 0 H HIS A 58 -6.799 1.590 -11.386 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.319 3.703 -10.305 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.681 1.347 -11.991 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.038 1.543 -10.900 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.215 4.616 -12.588 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.201 4.413 -14.024 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -10.049 5.770 -14.034 1.00 0.00 H new ATOM 931 N ASP A 59 -8.130 0.999 -8.501 1.00 0.00 N ATOM 932 CA ASP A 59 -8.462 0.414 -7.208 1.00 0.00 C ATOM 933 C ASP A 59 -8.028 1.327 -6.066 1.00 0.00 C ATOM 934 O ASP A 59 -8.781 1.550 -5.117 1.00 0.00 O ATOM 935 CB ASP A 59 -7.798 -0.956 -7.060 1.00 0.00 C ATOM 936 CG ASP A 59 -8.502 -2.030 -7.866 1.00 0.00 C ATOM 937 OD1 ASP A 59 -9.332 -1.675 -8.730 1.00 0.00 O ATOM 938 OD2 ASP A 59 -8.223 -3.225 -7.635 1.00 0.00 O ATOM 0 H ASP A 59 -7.426 0.483 -9.029 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.544 0.295 -7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.758 -0.889 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.791 -1.241 -6.008 1.00 0.00 H new ATOM 943 N ALA A 60 -6.811 1.853 -6.160 1.00 0.00 N ATOM 944 CA ALA A 60 -6.280 2.738 -5.134 1.00 0.00 C ATOM 945 C ALA A 60 -6.798 4.160 -5.312 1.00 0.00 C ATOM 946 O ALA A 60 -6.851 4.937 -4.359 1.00 0.00 O ATOM 947 CB ALA A 60 -4.760 2.721 -5.156 1.00 0.00 C ATOM 0 H ALA A 60 -6.175 1.680 -6.938 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.622 2.374 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.377 3.388 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.405 1.708 -4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.406 3.056 -6.131 1.00 0.00 H new ATOM 953 N GLU A 61 -7.175 4.492 -6.540 1.00 0.00 N ATOM 954 CA GLU A 61 -7.686 5.819 -6.851 1.00 0.00 C ATOM 955 C GLU A 61 -9.164 5.935 -6.491 1.00 0.00 C ATOM 956 O GLU A 61 -9.678 7.034 -6.285 1.00 0.00 O ATOM 957 CB GLU A 61 -7.485 6.130 -8.335 1.00 0.00 C ATOM 958 CG GLU A 61 -8.647 5.692 -9.211 1.00 0.00 C ATOM 959 CD GLU A 61 -9.707 6.766 -9.353 1.00 0.00 C ATOM 960 OE1 GLU A 61 -9.598 7.590 -10.285 1.00 0.00 O ATOM 961 OE2 GLU A 61 -10.648 6.784 -8.531 1.00 0.00 O ATOM 0 H GLU A 61 -7.136 3.858 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.130 6.543 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.334 7.203 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.575 5.639 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.272 5.424 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.098 4.795 -8.787 1.00 0.00 H new ATOM 968 N LYS A 62 -9.842 4.794 -6.420 1.00 0.00 N ATOM 969 CA LYS A 62 -11.261 4.767 -6.090 1.00 0.00 C ATOM 970 C LYS A 62 -11.485 5.071 -4.612 1.00 0.00 C ATOM 971 O LYS A 62 -12.613 5.020 -4.123 1.00 0.00 O ATOM 972 CB LYS A 62 -11.860 3.404 -6.439 1.00 0.00 C ATOM 973 CG LYS A 62 -11.656 2.355 -5.357 1.00 0.00 C ATOM 974 CD LYS A 62 -12.713 1.265 -5.433 1.00 0.00 C ATOM 975 CE LYS A 62 -13.214 1.073 -6.855 1.00 0.00 C ATOM 976 NZ LYS A 62 -14.503 1.781 -7.090 1.00 0.00 N ATOM 0 H LYS A 62 -9.431 3.876 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.759 5.538 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.928 3.522 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.414 3.048 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.666 1.911 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.691 2.830 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.298 0.328 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.549 1.522 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.465 1.440 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.343 0.009 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.270 1.085 -7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.703 2.414 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.438 2.340 -7.965 1.00 0.00 H new ATOM 990 N ILE A 63 -10.404 5.387 -3.905 1.00 0.00 N ATOM 991 CA ILE A 63 -10.486 5.697 -2.487 1.00 0.00 C ATOM 992 C ILE A 63 -10.296 7.189 -2.235 1.00 0.00 C ATOM 993 O ILE A 63 -9.359 7.802 -2.748 1.00 0.00 O ATOM 994 CB ILE A 63 -9.436 4.916 -1.677 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.442 5.377 -0.219 1.00 0.00 C ATOM 996 CG2 ILE A 63 -8.055 5.090 -2.290 1.00 0.00 C ATOM 997 CD1 ILE A 63 -8.741 4.420 0.720 1.00 0.00 C ATOM 0 H ILE A 63 -9.462 5.434 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.482 5.400 -2.159 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.691 3.856 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.963 6.354 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.474 5.505 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.324 4.531 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.062 4.717 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.788 6.147 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.784 4.811 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.233 3.448 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.700 4.311 0.417 1.00 0.00 H new ATOM 1009 N GLN A 64 -11.191 7.767 -1.440 1.00 0.00 N ATOM 1010 CA GLN A 64 -11.127 9.178 -1.118 1.00 0.00 C ATOM 1011 C GLN A 64 -10.937 9.392 0.381 1.00 0.00 C ATOM 1012 O GLN A 64 -10.622 10.496 0.825 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.394 9.892 -1.593 1.00 0.00 C ATOM 1014 CG GLN A 64 -12.788 9.549 -3.019 1.00 0.00 C ATOM 1015 CD GLN A 64 -13.916 8.538 -3.084 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -15.070 8.893 -3.319 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -13.585 7.270 -2.875 1.00 0.00 N ATOM 0 H GLN A 64 -11.971 7.272 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.266 9.601 -1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.217 9.635 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.245 10.969 -1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.090 10.459 -3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.920 9.154 -3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.615 7.021 -2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.301 6.544 -2.906 1.00 0.00 H new ATOM 1026 N SER A 65 -11.134 8.331 1.156 1.00 0.00 N ATOM 1027 CA SER A 65 -10.988 8.407 2.605 1.00 0.00 C ATOM 1028 C SER A 65 -9.954 7.404 3.108 1.00 0.00 C ATOM 1029 O SER A 65 -9.675 6.401 2.451 1.00 0.00 O ATOM 1030 CB SER A 65 -12.332 8.155 3.288 1.00 0.00 C ATOM 1031 OG SER A 65 -12.306 8.576 4.641 1.00 0.00 O ATOM 0 H SER A 65 -11.395 7.409 0.806 1.00 0.00 H new ATOM 0 HA SER A 65 -10.642 9.410 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.120 8.687 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.574 7.093 3.239 1.00 0.00 H new ATOM 0 HG SER A 65 -13.215 8.555 5.008 1.00 0.00 H new ATOM 1037 N ILE A 66 -9.392 7.683 4.279 1.00 0.00 N ATOM 1038 CA ILE A 66 -8.392 6.811 4.880 1.00 0.00 C ATOM 1039 C ILE A 66 -8.981 5.445 5.225 1.00 0.00 C ATOM 1040 O ILE A 66 -8.343 4.413 5.011 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.796 7.436 6.155 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.527 8.926 5.944 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -6.517 6.713 6.551 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -6.124 9.226 5.462 1.00 0.00 C ATOM 0 H ILE A 66 -9.614 8.511 4.832 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.602 6.684 4.140 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.518 7.329 6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -8.242 9.317 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.701 9.454 6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.108 7.166 7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.737 5.662 6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.789 6.792 5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.005 10.302 5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.403 8.866 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.952 8.726 4.509 1.00 0.00 H new ATOM 1056 N PRO A 67 -10.210 5.421 5.769 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.885 4.177 6.145 1.00 0.00 C ATOM 1058 C PRO A 67 -10.868 3.150 5.020 1.00 0.00 C ATOM 1059 O PRO A 67 -10.135 2.166 5.080 1.00 0.00 O ATOM 1060 CB PRO A 67 -12.326 4.613 6.457 1.00 0.00 C ATOM 1061 CG PRO A 67 -12.430 6.033 6.004 1.00 0.00 C ATOM 1062 CD PRO A 67 -11.040 6.595 6.059 1.00 0.00 C ATOM 0 HA PRO A 67 -10.391 3.690 6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.047 3.983 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.539 4.526 7.523 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.833 6.090 4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.104 6.598 6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.893 7.387 5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.813 7.021 7.036 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.676 3.385 3.992 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.744 2.474 2.857 1.00 0.00 C ATOM 1072 C ASP A 68 -10.345 2.082 2.390 1.00 0.00 C ATOM 1073 O ASP A 68 -10.170 1.101 1.668 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.517 3.118 1.704 1.00 0.00 C ATOM 1075 CG ASP A 68 -14.017 3.064 1.913 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -14.536 1.967 2.211 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.675 4.117 1.777 1.00 0.00 O ATOM 0 H ASP A 68 -12.291 4.196 3.922 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.267 1.573 3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.205 4.157 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.264 2.611 0.773 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.351 2.864 2.803 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.968 2.611 2.427 1.00 0.00 C ATOM 1084 C ALA A 69 -7.405 1.385 3.135 1.00 0.00 C ATOM 1085 O ALA A 69 -7.446 0.272 2.608 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.110 3.832 2.727 1.00 0.00 C ATOM 0 H ALA A 69 -9.481 3.681 3.400 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.948 2.412 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.078 3.630 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.483 4.686 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.155 4.055 3.793 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.868 1.601 4.327 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.280 0.522 5.110 1.00 0.00 C ATOM 1094 C VAL A 70 -7.333 -0.492 5.538 1.00 0.00 C ATOM 1095 O VAL A 70 -7.015 -1.641 5.847 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.566 1.060 6.363 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -6.578 1.482 7.417 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.608 0.018 6.920 1.00 0.00 C ATOM 0 H VAL A 70 -6.827 2.516 4.775 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.551 0.031 4.465 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.987 1.938 6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.053 1.859 8.295 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.219 2.265 7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.188 0.624 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.112 0.416 7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.164 -0.881 7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.861 -0.229 6.166 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.587 -0.061 5.549 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.688 -0.929 5.933 1.00 0.00 C ATOM 1110 C GLU A 71 -9.883 -2.039 4.906 1.00 0.00 C ATOM 1111 O GLU A 71 -10.117 -3.194 5.262 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.978 -0.120 6.078 1.00 0.00 C ATOM 1113 CG GLU A 71 -11.768 0.005 4.786 1.00 0.00 C ATOM 1114 CD GLU A 71 -13.102 0.698 4.982 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -13.117 1.805 5.561 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -14.132 0.134 4.557 1.00 0.00 O ATOM 0 H GLU A 71 -8.866 0.887 5.296 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.444 -1.383 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.607 -0.589 6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.732 0.878 6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.178 0.560 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.937 -0.988 4.370 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.782 -1.682 3.628 1.00 0.00 N ATOM 1124 CA TYR A 72 -9.945 -2.651 2.554 1.00 0.00 C ATOM 1125 C TYR A 72 -8.781 -3.632 2.531 1.00 0.00 C ATOM 1126 O TYR A 72 -8.972 -4.835 2.355 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.075 -1.938 1.205 1.00 0.00 C ATOM 1128 CG TYR A 72 -8.878 -2.114 0.297 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.395 -3.379 -0.013 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -8.232 -1.013 -0.250 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.303 -3.543 -0.842 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -7.138 -1.168 -1.081 1.00 0.00 C ATOM 1133 CZ TYR A 72 -6.677 -2.434 -1.373 1.00 0.00 C ATOM 1134 OH TYR A 72 -5.589 -2.592 -2.200 1.00 0.00 O ATOM 0 H TYR A 72 -9.589 -0.731 3.314 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.860 -3.214 2.737 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -10.963 -2.309 0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.230 -0.874 1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.882 -4.249 0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.590 -0.020 -0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.941 -4.534 -1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.647 -0.302 -1.499 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.801 -3.246 -2.899 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.578 -3.110 2.723 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.382 -3.943 2.735 1.00 0.00 C ATOM 1146 C ILE A 73 -6.369 -4.850 3.957 1.00 0.00 C ATOM 1147 O ILE A 73 -5.852 -5.966 3.915 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.089 -3.104 2.718 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.409 -1.614 2.603 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -4.189 -3.545 1.574 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -6.147 -1.253 1.335 1.00 0.00 C ATOM 0 H ILE A 73 -7.403 -2.116 2.872 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.413 -4.545 1.827 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.563 -3.266 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.009 -1.312 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.480 -1.046 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.280 -2.944 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.929 -4.596 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.712 -3.411 0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.341 -0.181 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.540 -1.524 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.093 -1.794 1.298 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.947 -4.363 5.044 1.00 0.00 N ATOM 1164 CA ALA A 74 -7.012 -5.128 6.279 1.00 0.00 C ATOM 1165 C ALA A 74 -7.873 -6.368 6.101 1.00 0.00 C ATOM 1166 O ALA A 74 -7.474 -7.479 6.454 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.548 -4.264 7.411 1.00 0.00 C ATOM 0 H ALA A 74 -7.378 -3.440 5.096 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.003 -5.449 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.590 -4.851 8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.890 -3.408 7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.549 -3.913 7.158 1.00 0.00 H new ATOM 1173 N GLN A 75 -9.054 -6.167 5.542 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.987 -7.256 5.308 1.00 0.00 C ATOM 1175 C GLN A 75 -9.596 -8.044 4.070 1.00 0.00 C ATOM 1176 O GLN A 75 -8.980 -9.106 4.166 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.410 -6.714 5.154 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.813 -5.745 6.255 1.00 0.00 C ATOM 1179 CD GLN A 75 -13.077 -4.977 5.920 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -14.185 -5.501 6.036 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -12.917 -3.726 5.502 1.00 0.00 N ATOM 0 H GLN A 75 -9.391 -5.253 5.240 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.953 -7.923 6.169 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.497 -6.213 4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.109 -7.550 5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.962 -6.297 7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.000 -5.041 6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.980 -3.331 5.421 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.731 -3.160 5.263 1.00 0.00 H new ATOM 1190 N ASN A 76 -9.949 -7.518 2.909 1.00 0.00 N ATOM 1191 CA ASN A 76 -9.623 -8.179 1.655 1.00 0.00 C ATOM 1192 C ASN A 76 -8.371 -9.033 1.826 1.00 0.00 C ATOM 1193 O ASN A 76 -8.447 -10.262 1.872 1.00 0.00 O ATOM 1194 CB ASN A 76 -9.420 -7.148 0.542 1.00 0.00 C ATOM 1195 CG ASN A 76 -10.677 -6.919 -0.272 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -11.239 -7.853 -0.844 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -11.124 -5.670 -0.329 1.00 0.00 N ATOM 0 H ASN A 76 -10.459 -6.640 2.808 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.454 -8.826 1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.098 -6.204 0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.620 -7.483 -0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.966 -5.453 -0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.626 -4.927 0.161 1.00 0.00 H new ATOM 1204 N PRO A 77 -7.194 -8.393 1.936 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.926 -9.106 2.117 1.00 0.00 C ATOM 1206 C PRO A 77 -5.958 -10.045 3.320 1.00 0.00 C ATOM 1207 O PRO A 77 -5.366 -11.124 3.288 1.00 0.00 O ATOM 1208 CB PRO A 77 -4.911 -7.983 2.343 1.00 0.00 C ATOM 1209 CG PRO A 77 -5.522 -6.786 1.704 1.00 0.00 C ATOM 1210 CD PRO A 77 -7.006 -6.932 1.896 1.00 0.00 C ATOM 0 HA PRO A 77 -5.692 -9.742 1.263 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.734 -7.817 3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.948 -8.224 1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.157 -5.868 2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.268 -6.735 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.342 -6.457 2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.565 -6.475 1.079 1.00 0.00 H new ATOM 1218 N MET A 78 -6.657 -9.639 4.380 1.00 0.00 N ATOM 1219 CA MET A 78 -6.758 -10.463 5.580 1.00 0.00 C ATOM 1220 C MET A 78 -7.261 -11.857 5.228 1.00 0.00 C ATOM 1221 O MET A 78 -7.090 -12.804 5.997 1.00 0.00 O ATOM 1222 CB MET A 78 -7.695 -9.813 6.598 1.00 0.00 C ATOM 1223 CG MET A 78 -8.498 -10.815 7.411 1.00 0.00 C ATOM 1224 SD MET A 78 -9.021 -10.156 9.007 1.00 0.00 S ATOM 1225 CE MET A 78 -8.946 -8.395 8.686 1.00 0.00 C ATOM 0 H MET A 78 -7.157 -8.752 4.431 1.00 0.00 H new ATOM 0 HA MET A 78 -5.765 -10.548 6.020 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.108 -9.194 7.277 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.382 -9.148 6.074 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.377 -11.118 6.842 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.898 -11.711 7.571 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.515 -7.862 9.448 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.908 -8.065 8.711 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.370 -8.186 7.704 1.00 0.00 H new ATOM 1235 N ALA A 79 -7.881 -11.975 4.059 1.00 0.00 N ATOM 1236 CA ALA A 79 -8.407 -13.243 3.597 1.00 0.00 C ATOM 1237 C ALA A 79 -7.511 -13.843 2.521 1.00 0.00 C ATOM 1238 O ALA A 79 -7.505 -15.055 2.308 1.00 0.00 O ATOM 1239 CB ALA A 79 -9.826 -13.071 3.075 1.00 0.00 C ATOM 0 H ALA A 79 -8.030 -11.199 3.414 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.429 -13.931 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.207 -14.033 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.464 -12.692 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.825 -12.364 2.245 1.00 0.00 H new ATOM 1245 N LYS A 80 -6.754 -12.982 1.851 1.00 0.00 N ATOM 1246 CA LYS A 80 -5.845 -13.414 0.795 1.00 0.00 C ATOM 1247 C LYS A 80 -5.765 -14.936 0.729 1.00 0.00 C ATOM 1248 O LYS A 80 -4.815 -15.504 1.309 1.00 0.00 O ATOM 1249 CB LYS A 80 -4.449 -12.829 1.026 1.00 0.00 C ATOM 1250 CG LYS A 80 -3.953 -12.988 2.453 1.00 0.00 C ATOM 1251 CD LYS A 80 -3.013 -11.859 2.847 1.00 0.00 C ATOM 1252 CE LYS A 80 -1.667 -12.391 3.309 1.00 0.00 C ATOM 1253 NZ LYS A 80 -1.737 -12.964 4.682 1.00 0.00 N ATOM 1254 OXT LYS A 80 -6.653 -15.548 0.099 1.00 0.00 O ATOM 0 H LYS A 80 -6.752 -11.976 2.021 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.235 -13.049 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.745 -13.313 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.461 -11.770 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.803 -13.009 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.439 -13.943 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.869 -11.191 1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.465 -11.269 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.321 -13.156 2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.932 -11.586 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.799 -13.316 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.042 -12.228 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.419 -13.749 4.696 1.00 0.00 H new TER 1268 LYS A 80 HETATM 1269 P24 PNS A 101 0.018 14.066 -8.389 1.00 0.00 P HETATM 1270 O25 PNS A 101 -0.677 13.415 -9.688 1.00 0.00 O HETATM 1271 O26 PNS A 101 -0.968 13.922 -7.125 1.00 0.00 O HETATM 1272 O27 PNS A 101 0.314 15.625 -8.664 1.00 0.00 O HETATM 1273 C28 PNS A 101 0.874 15.781 -9.969 1.00 0.00 C HETATM 1274 C29 PNS A 101 2.356 16.084 -9.858 1.00 0.00 C HETATM 1275 C30 PNS A 101 2.606 16.921 -8.630 1.00 0.00 C HETATM 1276 C31 PNS A 101 3.127 14.793 -9.752 1.00 0.00 C HETATM 1277 C32 PNS A 101 2.812 16.848 -11.093 1.00 0.00 C HETATM 1278 O33 PNS A 101 3.362 18.133 -10.818 1.00 0.00 O HETATM 1279 C34 PNS A 101 3.262 16.090 -12.310 1.00 0.00 C HETATM 1280 O35 PNS A 101 2.898 16.429 -13.437 1.00 0.00 O HETATM 1281 N36 PNS A 101 4.442 15.527 -12.070 1.00 0.00 N HETATM 1282 C37 PNS A 101 5.056 14.532 -12.944 1.00 0.00 C HETATM 1283 C38 PNS A 101 6.131 15.139 -13.830 1.00 0.00 C HETATM 1284 C39 PNS A 101 6.839 16.307 -13.172 1.00 0.00 C HETATM 1285 O40 PNS A 101 8.030 16.530 -13.391 1.00 0.00 O HETATM 1286 N41 PNS A 101 5.959 17.267 -12.907 1.00 0.00 N HETATM 1287 C42 PNS A 101 6.297 18.505 -12.211 1.00 0.00 C HETATM 1288 C43 PNS A 101 6.313 18.323 -10.702 1.00 0.00 C HETATM 1289 S44 PNS A 101 7.452 17.005 -10.218 1.00 0.00 S HETATM 0 H432 PNS A 101 6.608 19.257 -10.223 1.00 0.00 H new HETATM 0 H431 PNS A 101 5.309 18.087 -10.350 1.00 0.00 H new HETATM 0 H422 PNS A 101 5.576 19.278 -12.475 1.00 0.00 H new HETATM 0 H421 PNS A 101 7.274 18.853 -12.545 1.00 0.00 H new HETATM 0 H382 PNS A 101 5.680 15.472 -14.765 1.00 0.00 H new HETATM 0 H381 PNS A 101 6.863 14.372 -14.084 1.00 0.00 H new HETATM 0 H372 PNS A 101 4.288 14.074 -13.567 1.00 0.00 H new HETATM 0 H371 PNS A 101 5.491 13.737 -12.339 1.00 0.00 H new HETATM 0 H313 PNS A 101 4.192 15.011 -9.672 1.00 0.00 H new HETATM 0 H312 PNS A 101 2.946 14.187 -10.640 1.00 0.00 H new HETATM 0 H311 PNS A 101 2.801 14.246 -8.867 1.00 0.00 H new HETATM 0 H303 PNS A 101 3.671 17.139 -8.549 1.00 0.00 H new HETATM 0 H302 PNS A 101 2.279 16.375 -7.745 1.00 0.00 H new HETATM 0 H301 PNS A 101 2.049 17.855 -8.706 1.00 0.00 H new HETATM 0 H282 PNS A 101 0.367 16.588 -10.499 1.00 0.00 H new HETATM 0 H281 PNS A 101 0.722 14.872 -10.551 1.00 0.00 H new HETATM 0 H44 PNS A 101 7.443 16.877 -8.924 1.00 0.00 H new HETATM 0 H41 PNS A 101 4.994 17.131 -13.207 1.00 0.00 H new HETATM 0 H36 PNS A 101 4.946 15.806 -11.228 1.00 0.00 H new HETATM 0 H33 PNS A 101 3.652 18.551 -11.656 1.00 0.00 H new HETATM 0 H32 PNS A 101 1.866 17.104 -11.570 1.00 0.00 H new