USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=16 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 Single : A 1 MET CE :methyl -162:sc= -4.59! (180deg=-5.85!) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.13) USER MOD Single : A 2 ASN : amide:sc= -0.309 K(o=-0.31,f=-4.2!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= -1.93! (180deg=-2.25!) USER MOD Single : A 14 ASN : amide:sc= -0.363 K(o=-0.36,f=-1.5!) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -4.48! (180deg=-4.98!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= -5.23! (180deg=-5.94!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -2.16! USER MOD Single : A 27 SER OG : rot 103:sc= -0.231 USER MOD Single : A 28 HIS : no HD1:sc= -2.08 X(o=-2.1,f=-2.2!) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= -0.0932 (180deg=-0.602) USER MOD Single : A 36 ASN : amide:sc= -9.4! C(o=-9.4!,f=-8.4!) USER MOD Single : A 49 GLN : amide:sc= -2.94 K(o=-2.9,f=-0.96) USER MOD Single : A 58 HIS : no HD1:sc= -0.833! K(o=-0.83!,f=-0.16) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= -0.0236 (180deg=-0.258) USER MOD Single : A 64 GLN : amide:sc= -5.44! K(o=-5.4!,f=-0.87) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -100:sc= -2.95! USER MOD Single : A 75 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.36) USER MOD Single : A 76 ASN : amide:sc= -0.0896 X(o=-0.09,f=-0.11) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -5.13! (180deg=-5.74!) USER MOD Single : A 101 PNS O33 : rot 180:sc= 0 USER MOD Single : A 101 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.446 -8.848 9.701 1.00 0.00 N ATOM 2 CA MET A 1 -3.023 -9.146 10.014 1.00 0.00 C ATOM 3 C MET A 1 -2.297 -7.900 10.512 1.00 0.00 C ATOM 4 O MET A 1 -2.331 -6.851 9.871 1.00 0.00 O ATOM 5 CB MET A 1 -2.348 -9.680 8.750 1.00 0.00 C ATOM 6 CG MET A 1 -2.997 -10.939 8.199 1.00 0.00 C ATOM 7 SD MET A 1 -3.226 -12.210 9.459 1.00 0.00 S ATOM 8 CE MET A 1 -1.799 -11.915 10.499 1.00 0.00 C ATOM 0 H1 MET A 1 -4.953 -9.736 9.512 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.885 -8.364 10.510 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.496 -8.236 8.862 1.00 0.00 H new ATOM 0 HA MET A 1 -2.979 -9.892 10.808 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.368 -8.906 7.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.300 -9.887 8.967 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.964 -10.685 7.765 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.381 -11.338 7.393 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.615 -12.791 11.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.927 -11.724 9.874 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.985 -11.050 11.136 1.00 0.00 H new ATOM 20 N ASN A 2 -1.643 -8.024 11.663 1.00 0.00 N ATOM 21 CA ASN A 2 -0.908 -6.908 12.248 1.00 0.00 C ATOM 22 C ASN A 2 0.203 -6.438 11.322 1.00 0.00 C ATOM 23 O ASN A 2 0.555 -5.263 11.306 1.00 0.00 O ATOM 24 CB ASN A 2 -0.321 -7.299 13.605 1.00 0.00 C ATOM 25 CG ASN A 2 -1.384 -7.752 14.587 1.00 0.00 C ATOM 26 OD1 ASN A 2 -2.269 -8.536 14.245 1.00 0.00 O ATOM 27 ND2 ASN A 2 -1.301 -7.257 15.817 1.00 0.00 N ATOM 0 H ASN A 2 -1.607 -8.885 12.208 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.612 -6.088 12.389 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.406 -8.099 13.466 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.217 -6.449 14.023 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.988 -7.524 16.522 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.550 -6.610 16.057 1.00 0.00 H new ATOM 34 N ASP A 3 0.759 -7.366 10.559 1.00 0.00 N ATOM 35 CA ASP A 3 1.840 -7.044 9.635 1.00 0.00 C ATOM 36 C ASP A 3 1.418 -5.963 8.645 1.00 0.00 C ATOM 37 O ASP A 3 2.244 -5.178 8.178 1.00 0.00 O ATOM 38 CB ASP A 3 2.284 -8.299 8.881 1.00 0.00 C ATOM 39 CG ASP A 3 1.133 -8.984 8.171 1.00 0.00 C ATOM 40 OD1 ASP A 3 0.060 -8.358 8.038 1.00 0.00 O ATOM 41 OD2 ASP A 3 1.304 -10.146 7.748 1.00 0.00 O ATOM 0 H ASP A 3 0.481 -8.348 10.560 1.00 0.00 H new ATOM 0 HA ASP A 3 2.677 -6.662 10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.049 -8.030 8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.743 -8.997 9.581 1.00 0.00 H new ATOM 46 N VAL A 4 0.132 -5.935 8.324 1.00 0.00 N ATOM 47 CA VAL A 4 -0.400 -4.957 7.382 1.00 0.00 C ATOM 48 C VAL A 4 -0.428 -3.551 7.973 1.00 0.00 C ATOM 49 O VAL A 4 0.133 -2.624 7.405 1.00 0.00 O ATOM 50 CB VAL A 4 -1.821 -5.341 6.928 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.822 -4.265 7.320 1.00 0.00 C ATOM 52 CG2 VAL A 4 -1.851 -5.587 5.427 1.00 0.00 C ATOM 0 H VAL A 4 -0.564 -6.578 8.702 1.00 0.00 H new ATOM 0 HA VAL A 4 0.270 -4.959 6.522 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.105 -6.265 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.819 -4.557 6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.820 -4.144 8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.546 -3.322 6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.862 -5.857 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.544 -4.681 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.168 -6.399 5.178 1.00 0.00 H new ATOM 62 N LEU A 5 -1.085 -3.394 9.114 1.00 0.00 N ATOM 63 CA LEU A 5 -1.180 -2.091 9.761 1.00 0.00 C ATOM 64 C LEU A 5 0.172 -1.628 10.288 1.00 0.00 C ATOM 65 O LEU A 5 0.494 -0.445 10.250 1.00 0.00 O ATOM 66 CB LEU A 5 -2.204 -2.132 10.898 1.00 0.00 C ATOM 67 CG LEU A 5 -1.627 -2.367 12.294 1.00 0.00 C ATOM 68 CD1 LEU A 5 -0.910 -3.701 12.342 1.00 0.00 C ATOM 69 CD2 LEU A 5 -0.689 -1.235 12.685 1.00 0.00 C ATOM 0 H LEU A 5 -1.559 -4.149 9.610 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.510 -1.373 9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.752 -1.190 10.904 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.926 -2.920 10.685 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.447 -2.387 13.012 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.502 -3.859 13.340 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.612 -4.500 12.106 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.099 -3.704 11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.289 -1.422 13.682 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.131 -1.179 11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.236 -0.292 12.684 1.00 0.00 H new ATOM 81 N THR A 6 0.948 -2.567 10.799 1.00 0.00 N ATOM 82 CA THR A 6 2.257 -2.258 11.365 1.00 0.00 C ATOM 83 C THR A 6 3.217 -1.688 10.326 1.00 0.00 C ATOM 84 O THR A 6 3.750 -0.592 10.493 1.00 0.00 O ATOM 85 CB THR A 6 2.867 -3.510 11.993 1.00 0.00 C ATOM 86 OG1 THR A 6 3.202 -3.278 13.350 1.00 0.00 O ATOM 87 CG2 THR A 6 4.121 -3.977 11.288 1.00 0.00 C ATOM 0 H THR A 6 0.697 -3.555 10.835 1.00 0.00 H new ATOM 0 HA THR A 6 2.104 -1.495 12.128 1.00 0.00 H new ATOM 0 HB THR A 6 2.104 -4.283 11.901 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.589 -4.092 13.735 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.505 -4.869 11.782 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.889 -4.209 10.249 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.874 -3.190 11.325 1.00 0.00 H new ATOM 95 N ARG A 7 3.442 -2.448 9.268 1.00 0.00 N ATOM 96 CA ARG A 7 4.348 -2.038 8.207 1.00 0.00 C ATOM 97 C ARG A 7 3.700 -1.013 7.289 1.00 0.00 C ATOM 98 O ARG A 7 4.333 -0.042 6.875 1.00 0.00 O ATOM 99 CB ARG A 7 4.795 -3.256 7.394 1.00 0.00 C ATOM 100 CG ARG A 7 5.677 -2.904 6.208 1.00 0.00 C ATOM 101 CD ARG A 7 4.850 -2.508 4.996 1.00 0.00 C ATOM 102 NE ARG A 7 5.681 -2.284 3.816 1.00 0.00 N ATOM 103 CZ ARG A 7 6.375 -3.242 3.212 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.338 -4.483 3.676 1.00 0.00 N ATOM 105 NH2 ARG A 7 7.107 -2.960 2.143 1.00 0.00 N ATOM 0 H ARG A 7 3.007 -3.359 9.120 1.00 0.00 H new ATOM 0 HA ARG A 7 5.218 -1.574 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.335 -3.941 8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.913 -3.787 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.343 -2.084 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.308 -3.757 5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.121 -3.290 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.288 -1.602 5.221 1.00 0.00 H new ATOM 0 HE ARG A 7 5.731 -1.339 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.776 -4.704 4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.872 -5.217 3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.138 -2.006 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.639 -3.697 1.681 1.00 0.00 H new ATOM 119 N VAL A 8 2.437 -1.248 6.963 1.00 0.00 N ATOM 120 CA VAL A 8 1.697 -0.363 6.078 1.00 0.00 C ATOM 121 C VAL A 8 1.488 1.014 6.702 1.00 0.00 C ATOM 122 O VAL A 8 1.770 2.034 6.073 1.00 0.00 O ATOM 123 CB VAL A 8 0.333 -0.970 5.699 1.00 0.00 C ATOM 124 CG1 VAL A 8 -0.376 -0.109 4.667 1.00 0.00 C ATOM 125 CG2 VAL A 8 0.510 -2.387 5.176 1.00 0.00 C ATOM 0 H VAL A 8 1.902 -2.048 7.301 1.00 0.00 H new ATOM 0 HA VAL A 8 2.297 -0.246 5.176 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.285 -1.003 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.337 -0.559 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.538 0.889 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.237 -0.038 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.463 -2.802 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.149 -2.372 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.971 -3.004 5.947 1.00 0.00 H new ATOM 135 N LEU A 9 0.998 1.045 7.939 1.00 0.00 N ATOM 136 CA LEU A 9 0.765 2.312 8.627 1.00 0.00 C ATOM 137 C LEU A 9 2.073 3.072 8.816 1.00 0.00 C ATOM 138 O LEU A 9 2.145 4.278 8.579 1.00 0.00 O ATOM 139 CB LEU A 9 0.098 2.077 9.986 1.00 0.00 C ATOM 140 CG LEU A 9 0.949 2.445 11.203 1.00 0.00 C ATOM 141 CD1 LEU A 9 0.467 3.751 11.816 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.914 1.328 12.231 1.00 0.00 C ATOM 0 H LEU A 9 0.757 0.216 8.481 1.00 0.00 H new ATOM 0 HA LEU A 9 0.097 2.911 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.827 2.652 10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.177 1.025 10.060 1.00 0.00 H new ATOM 0 HG LEU A 9 1.980 2.580 10.876 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.084 3.997 12.680 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.542 4.549 11.078 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.571 3.644 12.130 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.524 1.605 13.091 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.114 1.163 12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.306 0.413 11.787 1.00 0.00 H new ATOM 154 N GLU A 10 3.106 2.356 9.246 1.00 0.00 N ATOM 155 CA GLU A 10 4.417 2.952 9.471 1.00 0.00 C ATOM 156 C GLU A 10 5.021 3.448 8.168 1.00 0.00 C ATOM 157 O GLU A 10 5.745 4.442 8.139 1.00 0.00 O ATOM 158 CB GLU A 10 5.359 1.932 10.108 1.00 0.00 C ATOM 159 CG GLU A 10 5.878 0.897 9.123 1.00 0.00 C ATOM 160 CD GLU A 10 7.365 0.646 9.271 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.765 0.012 10.270 1.00 0.00 O ATOM 162 OE2 GLU A 10 8.132 1.085 8.387 1.00 0.00 O ATOM 0 H GLU A 10 3.060 1.357 9.446 1.00 0.00 H new ATOM 0 HA GLU A 10 4.287 3.800 10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.205 2.457 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.838 1.423 10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.339 -0.039 9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.669 1.231 8.107 1.00 0.00 H new ATOM 169 N VAL A 11 4.730 2.731 7.095 1.00 0.00 N ATOM 170 CA VAL A 11 5.252 3.072 5.781 1.00 0.00 C ATOM 171 C VAL A 11 4.838 4.473 5.354 1.00 0.00 C ATOM 172 O VAL A 11 5.665 5.273 4.917 1.00 0.00 O ATOM 173 CB VAL A 11 4.790 2.062 4.728 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.620 2.729 3.375 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.767 0.899 4.640 1.00 0.00 C ATOM 0 H VAL A 11 4.132 1.905 7.108 1.00 0.00 H new ATOM 0 HA VAL A 11 6.339 3.042 5.857 1.00 0.00 H new ATOM 0 HB VAL A 11 3.819 1.671 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.291 1.990 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.875 3.521 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.572 3.155 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.423 0.191 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.753 1.272 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.826 0.400 5.607 1.00 0.00 H new ATOM 185 N VAL A 12 3.553 4.762 5.481 1.00 0.00 N ATOM 186 CA VAL A 12 3.020 6.067 5.104 1.00 0.00 C ATOM 187 C VAL A 12 3.483 7.154 6.070 1.00 0.00 C ATOM 188 O VAL A 12 4.016 8.184 5.654 1.00 0.00 O ATOM 189 CB VAL A 12 1.481 6.055 5.064 1.00 0.00 C ATOM 190 CG1 VAL A 12 0.929 4.978 5.985 1.00 0.00 C ATOM 191 CG2 VAL A 12 0.927 7.422 5.439 1.00 0.00 C ATOM 0 H VAL A 12 2.856 4.111 5.843 1.00 0.00 H new ATOM 0 HA VAL A 12 3.401 6.286 4.107 1.00 0.00 H new ATOM 0 HB VAL A 12 1.165 5.826 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.160 4.986 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.297 4.003 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.253 5.172 7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.162 7.395 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.253 7.683 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.293 8.169 4.735 1.00 0.00 H new ATOM 201 N LYS A 13 3.276 6.919 7.362 1.00 0.00 N ATOM 202 CA LYS A 13 3.671 7.879 8.387 1.00 0.00 C ATOM 203 C LYS A 13 5.145 8.246 8.251 1.00 0.00 C ATOM 204 O LYS A 13 5.505 9.424 8.258 1.00 0.00 O ATOM 205 CB LYS A 13 3.403 7.308 9.781 1.00 0.00 C ATOM 206 CG LYS A 13 1.986 6.788 9.962 1.00 0.00 C ATOM 207 CD LYS A 13 1.075 7.253 8.838 1.00 0.00 C ATOM 208 CE LYS A 13 -0.387 7.211 9.253 1.00 0.00 C ATOM 209 NZ LYS A 13 -1.292 7.602 8.136 1.00 0.00 N ATOM 0 H LYS A 13 2.837 6.072 7.724 1.00 0.00 H new ATOM 0 HA LYS A 13 3.076 8.782 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.106 6.498 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.595 8.081 10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.998 5.699 9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.591 7.131 10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.343 8.269 8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.224 6.621 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.640 6.206 9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.544 7.880 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.248 7.775 8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.934 8.468 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.327 6.836 7.433 1.00 0.00 H new ATOM 223 N ASN A 14 5.992 7.231 8.131 1.00 0.00 N ATOM 224 CA ASN A 14 7.425 7.441 7.998 1.00 0.00 C ATOM 225 C ASN A 14 7.807 7.720 6.572 1.00 0.00 C ATOM 226 O ASN A 14 8.980 7.946 6.271 1.00 0.00 O ATOM 227 CB ASN A 14 8.183 6.199 8.424 1.00 0.00 C ATOM 228 CG ASN A 14 8.814 5.480 7.252 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.975 5.711 6.916 1.00 0.00 O ATOM 230 ND2 ASN A 14 8.047 4.603 6.625 1.00 0.00 N ATOM 0 H ASN A 14 5.708 6.251 8.123 1.00 0.00 H new ATOM 0 HA ASN A 14 7.678 8.293 8.629 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.959 6.477 9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.504 5.521 8.940 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.413 4.085 5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.090 4.445 6.940 1.00 0.00 H new ATOM 237 N PHE A 15 6.843 7.662 5.685 1.00 0.00 N ATOM 238 CA PHE A 15 7.149 7.869 4.300 1.00 0.00 C ATOM 239 C PHE A 15 7.411 9.342 4.007 1.00 0.00 C ATOM 240 O PHE A 15 8.054 9.683 3.015 1.00 0.00 O ATOM 241 CB PHE A 15 6.030 7.333 3.405 1.00 0.00 C ATOM 242 CG PHE A 15 6.468 6.217 2.500 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.182 5.140 3.002 1.00 0.00 C ATOM 244 CD2 PHE A 15 6.166 6.244 1.148 1.00 0.00 C ATOM 245 CE1 PHE A 15 7.587 4.112 2.172 1.00 0.00 C ATOM 246 CE2 PHE A 15 6.568 5.219 0.313 1.00 0.00 C ATOM 247 CZ PHE A 15 7.279 4.151 0.825 1.00 0.00 C ATOM 0 H PHE A 15 5.862 7.477 5.895 1.00 0.00 H new ATOM 0 HA PHE A 15 8.060 7.313 4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.211 6.981 4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.638 8.150 2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.425 5.104 4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.610 7.076 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.144 3.279 2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.327 5.253 -0.739 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.593 3.348 0.174 1.00 0.00 H new ATOM 257 N GLU A 16 6.907 10.209 4.881 1.00 0.00 N ATOM 258 CA GLU A 16 7.085 11.650 4.727 1.00 0.00 C ATOM 259 C GLU A 16 5.773 12.322 4.339 1.00 0.00 C ATOM 260 O GLU A 16 5.717 13.539 4.161 1.00 0.00 O ATOM 261 CB GLU A 16 8.155 11.949 3.676 1.00 0.00 C ATOM 262 CG GLU A 16 7.636 11.905 2.251 1.00 0.00 C ATOM 263 CD GLU A 16 7.788 13.233 1.534 1.00 0.00 C ATOM 264 OE1 GLU A 16 7.313 14.255 2.071 1.00 0.00 O ATOM 265 OE2 GLU A 16 8.380 13.250 0.435 1.00 0.00 O ATOM 0 H GLU A 16 6.371 9.938 5.705 1.00 0.00 H new ATOM 0 HA GLU A 16 7.410 12.052 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.577 12.935 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.966 11.229 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.171 11.134 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.584 11.619 2.260 1.00 0.00 H new ATOM 272 N LYS A 17 4.718 11.524 4.210 1.00 0.00 N ATOM 273 CA LYS A 17 3.407 12.045 3.844 1.00 0.00 C ATOM 274 C LYS A 17 2.905 13.035 4.889 1.00 0.00 C ATOM 275 O LYS A 17 2.466 14.136 4.555 1.00 0.00 O ATOM 276 CB LYS A 17 2.406 10.900 3.685 1.00 0.00 C ATOM 277 CG LYS A 17 2.589 10.104 2.404 1.00 0.00 C ATOM 278 CD LYS A 17 3.088 8.697 2.688 1.00 0.00 C ATOM 279 CE LYS A 17 2.026 7.657 2.375 1.00 0.00 C ATOM 280 NZ LYS A 17 2.599 6.463 1.695 1.00 0.00 N ATOM 0 H LYS A 17 4.746 10.515 4.354 1.00 0.00 H new ATOM 0 HA LYS A 17 3.503 12.567 2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.499 10.227 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.395 11.307 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.642 10.054 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.297 10.618 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.980 8.499 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.379 8.617 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.537 7.348 3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.258 8.102 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.912 5.683 1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.813 6.697 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.473 6.174 2.179 1.00 0.00 H new ATOM 294 N VAL A 18 2.972 12.638 6.155 1.00 0.00 N ATOM 295 CA VAL A 18 2.524 13.491 7.249 1.00 0.00 C ATOM 296 C VAL A 18 2.614 12.764 8.586 1.00 0.00 C ATOM 297 O VAL A 18 2.698 11.537 8.632 1.00 0.00 O ATOM 298 CB VAL A 18 1.076 13.967 7.034 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.039 15.463 6.763 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.424 13.195 5.896 1.00 0.00 C ATOM 0 H VAL A 18 3.333 11.730 6.449 1.00 0.00 H new ATOM 0 HA VAL A 18 3.185 14.358 7.264 1.00 0.00 H new ATOM 0 HB VAL A 18 0.510 13.773 7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.007 15.780 6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.464 15.997 7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.620 15.685 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.599 13.545 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.989 13.355 4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.415 12.132 6.136 1.00 0.00 H new ATOM 310 N ASP A 19 2.597 13.530 9.672 1.00 0.00 N ATOM 311 CA ASP A 19 2.676 12.959 11.010 1.00 0.00 C ATOM 312 C ASP A 19 1.436 12.126 11.320 1.00 0.00 C ATOM 313 O ASP A 19 0.309 12.598 11.180 1.00 0.00 O ATOM 314 CB ASP A 19 2.833 14.067 12.052 1.00 0.00 C ATOM 315 CG ASP A 19 3.641 13.620 13.255 1.00 0.00 C ATOM 316 OD1 ASP A 19 3.570 12.424 13.605 1.00 0.00 O ATOM 317 OD2 ASP A 19 4.342 14.467 13.848 1.00 0.00 O ATOM 0 H ASP A 19 2.529 14.548 9.651 1.00 0.00 H new ATOM 0 HA ASP A 19 3.549 12.307 11.049 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.318 14.928 11.592 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.847 14.394 12.381 1.00 0.00 H new ATOM 322 N ALA A 20 1.655 10.884 11.740 1.00 0.00 N ATOM 323 CA ALA A 20 0.554 9.985 12.068 1.00 0.00 C ATOM 324 C ALA A 20 -0.332 10.577 13.157 1.00 0.00 C ATOM 325 O ALA A 20 -1.478 10.161 13.333 1.00 0.00 O ATOM 326 CB ALA A 20 1.093 8.630 12.502 1.00 0.00 C ATOM 0 H ALA A 20 2.583 10.478 11.861 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.055 9.853 11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.261 7.968 12.744 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.679 8.195 11.692 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.725 8.755 13.381 1.00 0.00 H new ATOM 332 N SER A 21 0.205 11.548 13.886 1.00 0.00 N ATOM 333 CA SER A 21 -0.535 12.196 14.960 1.00 0.00 C ATOM 334 C SER A 21 -1.706 13.002 14.406 1.00 0.00 C ATOM 335 O SER A 21 -2.666 13.294 15.118 1.00 0.00 O ATOM 336 CB SER A 21 0.389 13.108 15.769 1.00 0.00 C ATOM 337 OG SER A 21 0.138 14.473 15.483 1.00 0.00 O ATOM 0 H SER A 21 1.152 11.904 13.752 1.00 0.00 H new ATOM 0 HA SER A 21 -0.929 11.418 15.614 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.245 12.924 16.834 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.428 12.871 15.542 1.00 0.00 H new ATOM 0 HG SER A 21 0.740 15.035 16.014 1.00 0.00 H new ATOM 343 N LYS A 22 -1.615 13.357 13.129 1.00 0.00 N ATOM 344 CA LYS A 22 -2.661 14.129 12.476 1.00 0.00 C ATOM 345 C LYS A 22 -3.711 13.210 11.859 1.00 0.00 C ATOM 346 O LYS A 22 -4.811 13.648 11.519 1.00 0.00 O ATOM 347 CB LYS A 22 -2.061 15.032 11.396 1.00 0.00 C ATOM 348 CG LYS A 22 -1.685 14.291 10.123 1.00 0.00 C ATOM 349 CD LYS A 22 -0.584 15.013 9.363 1.00 0.00 C ATOM 350 CE LYS A 22 -0.546 16.492 9.711 1.00 0.00 C ATOM 351 NZ LYS A 22 0.454 17.230 8.890 1.00 0.00 N ATOM 0 H LYS A 22 -0.826 13.121 12.527 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.144 14.749 13.231 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.777 15.817 11.152 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.174 15.523 11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.356 13.282 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.564 14.191 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.379 14.558 9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.742 14.894 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.534 16.927 9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.307 16.610 10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.535 18.207 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.378 16.759 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.148 17.240 7.896 1.00 0.00 H new ATOM 365 N VAL A 23 -3.365 11.936 11.714 1.00 0.00 N ATOM 366 CA VAL A 23 -4.273 10.959 11.135 1.00 0.00 C ATOM 367 C VAL A 23 -5.206 10.375 12.190 1.00 0.00 C ATOM 368 O VAL A 23 -4.758 9.847 13.208 1.00 0.00 O ATOM 369 CB VAL A 23 -3.504 9.810 10.455 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.345 10.354 9.636 1.00 0.00 C ATOM 371 CG2 VAL A 23 -3.012 8.811 11.491 1.00 0.00 C ATOM 0 H VAL A 23 -2.459 11.557 11.991 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.864 11.486 10.386 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.184 9.292 9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.814 9.528 9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.726 11.027 8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.662 10.898 10.288 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.471 8.007 10.993 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.348 9.313 12.194 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.864 8.396 12.030 1.00 0.00 H new ATOM 381 N THR A 24 -6.507 10.471 11.937 1.00 0.00 N ATOM 382 CA THR A 24 -7.504 9.954 12.853 1.00 0.00 C ATOM 383 C THR A 24 -8.236 8.763 12.239 1.00 0.00 C ATOM 384 O THR A 24 -8.097 8.485 11.049 1.00 0.00 O ATOM 385 CB THR A 24 -8.503 11.050 13.230 1.00 0.00 C ATOM 386 OG1 THR A 24 -8.542 11.230 14.635 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.914 10.763 12.766 1.00 0.00 C ATOM 0 H THR A 24 -6.892 10.906 11.099 1.00 0.00 H new ATOM 0 HA THR A 24 -6.995 9.618 13.756 1.00 0.00 H new ATOM 0 HB THR A 24 -8.149 11.948 12.724 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.185 11.936 14.857 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.569 11.580 13.067 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.928 10.668 11.680 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.263 9.834 13.216 1.00 0.00 H new ATOM 395 N PRO A 25 -9.026 8.043 13.049 1.00 0.00 N ATOM 396 CA PRO A 25 -9.782 6.875 12.584 1.00 0.00 C ATOM 397 C PRO A 25 -10.733 7.220 11.444 1.00 0.00 C ATOM 398 O PRO A 25 -10.944 6.418 10.535 1.00 0.00 O ATOM 399 CB PRO A 25 -10.570 6.430 13.824 1.00 0.00 C ATOM 400 CG PRO A 25 -10.539 7.598 14.752 1.00 0.00 C ATOM 401 CD PRO A 25 -9.245 8.310 14.477 1.00 0.00 C ATOM 0 HA PRO A 25 -9.125 6.101 12.186 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.594 6.162 13.564 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.117 5.551 14.283 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.391 8.256 14.580 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.592 7.273 15.791 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.319 9.378 14.682 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.432 7.923 15.091 1.00 0.00 H new ATOM 409 N GLU A 26 -11.302 8.420 11.496 1.00 0.00 N ATOM 410 CA GLU A 26 -12.225 8.874 10.469 1.00 0.00 C ATOM 411 C GLU A 26 -11.552 9.879 9.541 1.00 0.00 C ATOM 412 O GLU A 26 -12.213 10.541 8.740 1.00 0.00 O ATOM 413 CB GLU A 26 -13.465 9.501 11.108 1.00 0.00 C ATOM 414 CG GLU A 26 -14.562 9.831 10.109 1.00 0.00 C ATOM 415 CD GLU A 26 -14.401 11.211 9.502 1.00 0.00 C ATOM 416 OE1 GLU A 26 -14.413 12.201 10.264 1.00 0.00 O ATOM 417 OE2 GLU A 26 -14.262 11.302 8.264 1.00 0.00 O ATOM 0 H GLU A 26 -11.138 9.096 12.242 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.529 8.009 9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.862 8.817 11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.173 10.413 11.629 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.560 9.086 9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.531 9.767 10.604 1.00 0.00 H new ATOM 424 N SER A 27 -10.233 9.991 9.658 1.00 0.00 N ATOM 425 CA SER A 27 -9.468 10.919 8.835 1.00 0.00 C ATOM 426 C SER A 27 -9.501 10.511 7.367 1.00 0.00 C ATOM 427 O SER A 27 -9.273 9.350 7.028 1.00 0.00 O ATOM 428 CB SER A 27 -8.019 10.988 9.323 1.00 0.00 C ATOM 429 OG SER A 27 -7.116 11.040 8.231 1.00 0.00 O ATOM 0 H SER A 27 -9.672 9.450 10.316 1.00 0.00 H new ATOM 0 HA SER A 27 -9.926 11.904 8.926 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.885 11.868 9.952 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.798 10.118 9.941 1.00 0.00 H new ATOM 0 HG SER A 27 -6.796 11.959 8.115 1.00 0.00 H new ATOM 435 N HIS A 28 -9.784 11.477 6.499 1.00 0.00 N ATOM 436 CA HIS A 28 -9.846 11.228 5.069 1.00 0.00 C ATOM 437 C HIS A 28 -8.447 11.196 4.464 1.00 0.00 C ATOM 438 O HIS A 28 -7.539 11.872 4.943 1.00 0.00 O ATOM 439 CB HIS A 28 -10.691 12.301 4.379 1.00 0.00 C ATOM 440 CG HIS A 28 -12.000 12.560 5.058 1.00 0.00 C ATOM 441 ND1 HIS A 28 -13.219 12.303 4.466 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.278 13.058 6.286 1.00 0.00 C ATOM 443 CE1 HIS A 28 -14.189 12.631 5.301 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.645 13.091 6.412 1.00 0.00 N ATOM 0 H HIS A 28 -9.974 12.443 6.766 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.312 10.255 4.913 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.122 13.230 4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.879 11.997 3.349 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -11.559 13.371 7.028 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -15.247 12.538 5.107 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.157 13.418 7.231 1.00 0.00 H new ATOM 453 N PHE A 29 -8.277 10.404 3.412 1.00 0.00 N ATOM 454 CA PHE A 29 -6.986 10.288 2.749 1.00 0.00 C ATOM 455 C PHE A 29 -6.610 11.586 2.046 1.00 0.00 C ATOM 456 O PHE A 29 -5.877 12.415 2.587 1.00 0.00 O ATOM 457 CB PHE A 29 -7.007 9.136 1.742 1.00 0.00 C ATOM 458 CG PHE A 29 -5.659 8.829 1.153 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.974 9.785 0.421 1.00 0.00 C ATOM 460 CD2 PHE A 29 -5.077 7.584 1.333 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.733 9.505 -0.122 1.00 0.00 C ATOM 462 CE2 PHE A 29 -3.837 7.298 0.793 1.00 0.00 C ATOM 463 CZ PHE A 29 -3.165 8.261 0.065 1.00 0.00 C ATOM 0 H PHE A 29 -9.016 9.834 3.001 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.235 10.082 3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.392 8.242 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.699 9.381 0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.414 10.760 0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.598 6.828 1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.209 10.259 -0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.394 6.324 0.940 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.196 8.041 -0.357 1.00 0.00 H new ATOM 473 N VAL A 30 -7.113 11.749 0.833 1.00 0.00 N ATOM 474 CA VAL A 30 -6.832 12.937 0.041 1.00 0.00 C ATOM 475 C VAL A 30 -7.486 14.176 0.637 1.00 0.00 C ATOM 476 O VAL A 30 -6.967 15.285 0.521 1.00 0.00 O ATOM 477 CB VAL A 30 -7.303 12.770 -1.415 1.00 0.00 C ATOM 478 CG1 VAL A 30 -6.134 12.406 -2.317 1.00 0.00 C ATOM 479 CG2 VAL A 30 -8.401 11.721 -1.503 1.00 0.00 C ATOM 0 H VAL A 30 -7.721 11.071 0.373 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.750 13.066 0.053 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.712 13.721 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.487 12.292 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.384 13.196 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.692 11.469 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.722 11.616 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.021 10.765 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.248 12.029 -0.890 1.00 0.00 H new ATOM 489 N LYS A 31 -8.631 13.976 1.266 1.00 0.00 N ATOM 490 CA LYS A 31 -9.374 15.069 1.874 1.00 0.00 C ATOM 491 C LYS A 31 -8.679 15.589 3.130 1.00 0.00 C ATOM 492 O LYS A 31 -8.944 16.707 3.576 1.00 0.00 O ATOM 493 CB LYS A 31 -10.795 14.617 2.217 1.00 0.00 C ATOM 494 CG LYS A 31 -11.251 13.400 1.430 1.00 0.00 C ATOM 495 CD LYS A 31 -11.091 13.610 -0.066 1.00 0.00 C ATOM 496 CE LYS A 31 -12.413 13.438 -0.797 1.00 0.00 C ATOM 497 NZ LYS A 31 -13.465 14.348 -0.265 1.00 0.00 N ATOM 0 H LYS A 31 -9.070 13.061 1.370 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.417 15.882 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.849 14.392 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.485 15.440 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.674 12.529 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.296 13.188 1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.697 14.609 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.362 12.901 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.268 13.633 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.747 12.404 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.140 14.578 -1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.967 13.879 0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.024 15.223 0.083 1.00 0.00 H new ATOM 511 N ASP A 32 -7.801 14.776 3.708 1.00 0.00 N ATOM 512 CA ASP A 32 -7.092 15.162 4.916 1.00 0.00 C ATOM 513 C ASP A 32 -5.734 15.787 4.604 1.00 0.00 C ATOM 514 O ASP A 32 -5.005 16.177 5.516 1.00 0.00 O ATOM 515 CB ASP A 32 -6.907 13.955 5.836 1.00 0.00 C ATOM 516 CG ASP A 32 -6.335 14.339 7.186 1.00 0.00 C ATOM 517 OD1 ASP A 32 -5.190 14.837 7.227 1.00 0.00 O ATOM 518 OD2 ASP A 32 -7.032 14.142 8.203 1.00 0.00 O ATOM 0 H ASP A 32 -7.566 13.847 3.358 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.699 15.913 5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.868 13.460 5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.245 13.234 5.356 1.00 0.00 H new ATOM 523 N LEU A 33 -5.399 15.892 3.322 1.00 0.00 N ATOM 524 CA LEU A 33 -4.124 16.482 2.923 1.00 0.00 C ATOM 525 C LEU A 33 -3.686 16.003 1.542 1.00 0.00 C ATOM 526 O LEU A 33 -2.824 16.616 0.911 1.00 0.00 O ATOM 527 CB LEU A 33 -3.042 16.150 3.951 1.00 0.00 C ATOM 528 CG LEU A 33 -1.775 15.515 3.376 1.00 0.00 C ATOM 529 CD1 LEU A 33 -0.554 15.946 4.173 1.00 0.00 C ATOM 530 CD2 LEU A 33 -1.899 13.999 3.364 1.00 0.00 C ATOM 0 H LEU A 33 -5.985 15.580 2.548 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.265 17.562 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.766 17.066 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.464 15.473 4.694 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.652 15.858 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.338 15.485 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.456 17.031 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.667 15.632 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.989 13.563 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.046 13.638 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.751 13.708 2.750 1.00 0.00 H new ATOM 542 N GLY A 34 -4.275 14.908 1.075 1.00 0.00 N ATOM 543 CA GLY A 34 -3.917 14.381 -0.230 1.00 0.00 C ATOM 544 C GLY A 34 -2.439 14.064 -0.340 1.00 0.00 C ATOM 545 O GLY A 34 -1.614 14.963 -0.507 1.00 0.00 O ATOM 0 H GLY A 34 -4.990 14.378 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.495 13.478 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.189 15.105 -0.998 1.00 0.00 H new ATOM 549 N LEU A 35 -2.105 12.782 -0.244 1.00 0.00 N ATOM 550 CA LEU A 35 -0.718 12.343 -0.332 1.00 0.00 C ATOM 551 C LEU A 35 -0.154 12.593 -1.727 1.00 0.00 C ATOM 552 O LEU A 35 -0.898 12.678 -2.704 1.00 0.00 O ATOM 553 CB LEU A 35 -0.608 10.857 0.014 1.00 0.00 C ATOM 554 CG LEU A 35 -0.789 10.523 1.496 1.00 0.00 C ATOM 555 CD1 LEU A 35 -2.117 11.062 2.007 1.00 0.00 C ATOM 556 CD2 LEU A 35 -0.702 9.021 1.717 1.00 0.00 C ATOM 0 H LEU A 35 -2.777 12.028 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.136 12.921 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.355 10.309 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.369 10.496 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 35 0.014 11.001 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.228 10.815 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.142 12.145 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.934 10.613 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.833 8.801 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.484 8.523 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.273 8.661 1.389 1.00 0.00 H new ATOM 568 N ASN A 36 1.168 12.709 -1.812 1.00 0.00 N ATOM 569 CA ASN A 36 1.836 12.946 -3.083 1.00 0.00 C ATOM 570 C ASN A 36 1.629 11.766 -4.030 1.00 0.00 C ATOM 571 O ASN A 36 1.706 10.610 -3.615 1.00 0.00 O ATOM 572 CB ASN A 36 3.332 13.177 -2.849 1.00 0.00 C ATOM 573 CG ASN A 36 3.866 14.390 -3.585 1.00 0.00 C ATOM 574 OD1 ASN A 36 4.857 14.992 -3.177 1.00 0.00 O ATOM 575 ND2 ASN A 36 3.207 14.752 -4.675 1.00 0.00 N ATOM 0 H ASN A 36 1.797 12.642 -1.012 1.00 0.00 H new ATOM 0 HA ASN A 36 1.403 13.835 -3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.513 13.298 -1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.885 12.293 -3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.517 15.561 -5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.389 14.222 -4.976 1.00 0.00 H new ATOM 582 N SER A 37 1.364 12.060 -5.300 1.00 0.00 N ATOM 583 CA SER A 37 1.148 11.013 -6.291 1.00 0.00 C ATOM 584 C SER A 37 2.315 10.038 -6.293 1.00 0.00 C ATOM 585 O SER A 37 2.132 8.825 -6.397 1.00 0.00 O ATOM 586 CB SER A 37 0.971 11.621 -7.683 1.00 0.00 C ATOM 587 OG SER A 37 0.140 12.770 -7.636 1.00 0.00 O ATOM 0 H SER A 37 1.294 13.010 -5.665 1.00 0.00 H new ATOM 0 HA SER A 37 0.238 10.473 -6.027 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.945 11.889 -8.093 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.536 10.881 -8.354 1.00 0.00 H new ATOM 592 N LEU A 38 3.513 10.583 -6.162 1.00 0.00 N ATOM 593 CA LEU A 38 4.724 9.774 -6.131 1.00 0.00 C ATOM 594 C LEU A 38 4.826 9.026 -4.812 1.00 0.00 C ATOM 595 O LEU A 38 5.418 7.949 -4.735 1.00 0.00 O ATOM 596 CB LEU A 38 5.960 10.656 -6.333 1.00 0.00 C ATOM 597 CG LEU A 38 6.366 11.509 -5.126 1.00 0.00 C ATOM 598 CD1 LEU A 38 5.299 12.547 -4.823 1.00 0.00 C ATOM 599 CD2 LEU A 38 6.625 10.638 -3.906 1.00 0.00 C ATOM 0 H LEU A 38 3.675 11.586 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 38 4.676 9.048 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.801 10.017 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.778 11.318 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 38 7.292 12.027 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.605 13.143 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.169 13.198 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.357 12.046 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.911 11.268 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.720 10.085 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.430 9.936 -4.124 1.00 0.00 H new ATOM 611 N ASP A 39 4.242 9.609 -3.775 1.00 0.00 N ATOM 612 CA ASP A 39 4.262 9.007 -2.451 1.00 0.00 C ATOM 613 C ASP A 39 3.262 7.863 -2.370 1.00 0.00 C ATOM 614 O ASP A 39 3.505 6.853 -1.710 1.00 0.00 O ATOM 615 CB ASP A 39 3.948 10.056 -1.383 1.00 0.00 C ATOM 616 CG ASP A 39 3.891 9.461 0.011 1.00 0.00 C ATOM 617 OD1 ASP A 39 2.942 8.699 0.292 1.00 0.00 O ATOM 618 OD2 ASP A 39 4.795 9.757 0.820 1.00 0.00 O ATOM 0 H ASP A 39 3.748 10.500 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 39 5.261 8.610 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.707 10.838 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.994 10.530 -1.612 1.00 0.00 H new ATOM 623 N VAL A 40 2.137 8.032 -3.050 1.00 0.00 N ATOM 624 CA VAL A 40 1.092 7.018 -3.064 1.00 0.00 C ATOM 625 C VAL A 40 1.510 5.815 -3.900 1.00 0.00 C ATOM 626 O VAL A 40 1.111 4.686 -3.619 1.00 0.00 O ATOM 627 CB VAL A 40 -0.238 7.572 -3.603 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.333 7.382 -5.110 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.410 6.903 -2.899 1.00 0.00 C ATOM 0 H VAL A 40 1.924 8.864 -3.601 1.00 0.00 H new ATOM 0 HA VAL A 40 0.944 6.708 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.275 8.642 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.282 7.781 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.489 7.908 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.274 6.320 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.346 7.304 -3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.374 5.828 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.351 7.098 -1.828 1.00 0.00 H new ATOM 639 N VAL A 41 2.319 6.059 -4.927 1.00 0.00 N ATOM 640 CA VAL A 41 2.791 4.988 -5.793 1.00 0.00 C ATOM 641 C VAL A 41 3.751 4.076 -5.042 1.00 0.00 C ATOM 642 O VAL A 41 3.630 2.853 -5.095 1.00 0.00 O ATOM 643 CB VAL A 41 3.494 5.531 -7.051 1.00 0.00 C ATOM 644 CG1 VAL A 41 4.287 6.787 -6.725 1.00 0.00 C ATOM 645 CG2 VAL A 41 4.396 4.466 -7.656 1.00 0.00 C ATOM 0 H VAL A 41 2.660 6.987 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 41 1.912 4.424 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 41 2.732 5.794 -7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.775 7.154 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.614 7.553 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.041 6.556 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.885 4.865 -8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.151 4.172 -6.927 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.799 3.597 -7.931 1.00 0.00 H new ATOM 655 N GLU A 42 4.700 4.681 -4.334 1.00 0.00 N ATOM 656 CA GLU A 42 5.674 3.921 -3.564 1.00 0.00 C ATOM 657 C GLU A 42 4.978 3.119 -2.475 1.00 0.00 C ATOM 658 O GLU A 42 5.279 1.946 -2.257 1.00 0.00 O ATOM 659 CB GLU A 42 6.714 4.857 -2.947 1.00 0.00 C ATOM 660 CG GLU A 42 7.742 5.360 -3.946 1.00 0.00 C ATOM 661 CD GLU A 42 9.118 5.530 -3.333 1.00 0.00 C ATOM 662 OE1 GLU A 42 9.256 5.301 -2.112 1.00 0.00 O ATOM 663 OE2 GLU A 42 10.057 5.889 -4.072 1.00 0.00 O ATOM 0 H GLU A 42 4.814 5.693 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 42 6.182 3.230 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.204 5.711 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.228 4.335 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.804 4.661 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.410 6.315 -4.354 1.00 0.00 H new ATOM 670 N VAL A 43 4.038 3.765 -1.803 1.00 0.00 N ATOM 671 CA VAL A 43 3.276 3.126 -0.740 1.00 0.00 C ATOM 672 C VAL A 43 2.456 1.972 -1.289 1.00 0.00 C ATOM 673 O VAL A 43 2.557 0.839 -0.821 1.00 0.00 O ATOM 674 CB VAL A 43 2.326 4.118 -0.048 1.00 0.00 C ATOM 675 CG1 VAL A 43 1.772 5.118 -1.047 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.201 3.375 0.639 1.00 0.00 C ATOM 0 H VAL A 43 3.783 4.737 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 43 3.997 2.758 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 43 2.891 4.668 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.103 5.810 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.593 5.674 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.222 4.589 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.536 4.089 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.640 2.801 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.615 2.698 1.387 1.00 0.00 H new ATOM 686 N VAL A 44 1.655 2.275 -2.298 1.00 0.00 N ATOM 687 CA VAL A 44 0.821 1.270 -2.934 1.00 0.00 C ATOM 688 C VAL A 44 1.694 0.143 -3.457 1.00 0.00 C ATOM 689 O VAL A 44 1.269 -1.009 -3.542 1.00 0.00 O ATOM 690 CB VAL A 44 0.009 1.861 -4.101 1.00 0.00 C ATOM 691 CG1 VAL A 44 -0.919 2.958 -3.605 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.937 2.385 -5.185 1.00 0.00 C ATOM 0 H VAL A 44 1.565 3.211 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 44 0.122 0.895 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.603 1.069 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.484 3.363 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.608 2.546 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.331 3.753 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.345 2.799 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.578 3.163 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.554 1.569 -5.561 1.00 0.00 H new ATOM 702 N PHE A 45 2.930 0.494 -3.787 1.00 0.00 N ATOM 703 CA PHE A 45 3.892 -0.468 -4.283 1.00 0.00 C ATOM 704 C PHE A 45 4.419 -1.312 -3.132 1.00 0.00 C ATOM 705 O PHE A 45 4.788 -2.473 -3.308 1.00 0.00 O ATOM 706 CB PHE A 45 5.042 0.254 -4.980 1.00 0.00 C ATOM 707 CG PHE A 45 5.204 -0.137 -6.417 1.00 0.00 C ATOM 708 CD1 PHE A 45 5.862 -1.306 -6.750 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.697 0.661 -7.431 1.00 0.00 C ATOM 710 CE1 PHE A 45 6.017 -1.677 -8.073 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.847 0.296 -8.756 1.00 0.00 C ATOM 712 CZ PHE A 45 5.508 -0.875 -9.077 1.00 0.00 C ATOM 0 H PHE A 45 3.287 1.447 -3.718 1.00 0.00 H new ATOM 0 HA PHE A 45 3.403 -1.122 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.876 1.330 -4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.969 0.044 -4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.259 -1.937 -5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.180 1.576 -7.184 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.535 -2.592 -8.321 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.449 0.924 -9.539 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.627 -1.163 -10.111 1.00 0.00 H new ATOM 722 N ALA A 46 4.433 -0.710 -1.950 1.00 0.00 N ATOM 723 CA ALA A 46 4.894 -1.386 -0.748 1.00 0.00 C ATOM 724 C ALA A 46 3.900 -2.454 -0.324 1.00 0.00 C ATOM 725 O ALA A 46 4.236 -3.636 -0.215 1.00 0.00 O ATOM 726 CB ALA A 46 5.109 -0.382 0.375 1.00 0.00 C ATOM 0 H ALA A 46 4.128 0.252 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 46 5.846 -1.870 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.454 -0.903 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.857 0.350 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.170 0.127 0.592 1.00 0.00 H new ATOM 732 N ILE A 47 2.671 -2.025 -0.096 1.00 0.00 N ATOM 733 CA ILE A 47 1.605 -2.931 0.306 1.00 0.00 C ATOM 734 C ILE A 47 1.401 -4.013 -0.745 1.00 0.00 C ATOM 735 O ILE A 47 1.150 -5.171 -0.418 1.00 0.00 O ATOM 736 CB ILE A 47 0.276 -2.179 0.519 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.272 -0.870 -0.272 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.053 -1.910 1.999 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.654 0.337 0.555 1.00 0.00 C ATOM 0 H ILE A 47 2.384 -1.050 -0.183 1.00 0.00 H new ATOM 0 HA ILE A 47 1.905 -3.386 1.250 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.540 -2.803 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.963 -0.959 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.721 -0.712 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.889 -1.379 2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.017 -2.856 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.871 -1.302 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.630 1.229 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.051 0.452 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.659 0.201 0.954 1.00 0.00 H new ATOM 751 N GLU A 48 1.528 -3.628 -2.011 1.00 0.00 N ATOM 752 CA GLU A 48 1.366 -4.569 -3.110 1.00 0.00 C ATOM 753 C GLU A 48 2.308 -5.748 -2.934 1.00 0.00 C ATOM 754 O GLU A 48 1.971 -6.887 -3.257 1.00 0.00 O ATOM 755 CB GLU A 48 1.634 -3.877 -4.447 1.00 0.00 C ATOM 756 CG GLU A 48 0.905 -4.512 -5.620 1.00 0.00 C ATOM 757 CD GLU A 48 1.695 -5.639 -6.254 1.00 0.00 C ATOM 758 OE1 GLU A 48 2.932 -5.510 -6.366 1.00 0.00 O ATOM 759 OE2 GLU A 48 1.076 -6.654 -6.639 1.00 0.00 O ATOM 0 H GLU A 48 1.742 -2.673 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 48 0.339 -4.935 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.338 -2.831 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.706 -3.892 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.058 -4.894 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.699 -3.750 -6.371 1.00 0.00 H new ATOM 766 N GLN A 49 3.489 -5.461 -2.407 1.00 0.00 N ATOM 767 CA GLN A 49 4.490 -6.488 -2.170 1.00 0.00 C ATOM 768 C GLN A 49 4.031 -7.439 -1.070 1.00 0.00 C ATOM 769 O GLN A 49 4.189 -8.655 -1.181 1.00 0.00 O ATOM 770 CB GLN A 49 5.827 -5.850 -1.785 1.00 0.00 C ATOM 771 CG GLN A 49 6.826 -5.797 -2.929 1.00 0.00 C ATOM 772 CD GLN A 49 6.517 -4.694 -3.922 1.00 0.00 C ATOM 773 OE1 GLN A 49 7.326 -3.791 -4.137 1.00 0.00 O ATOM 774 NE2 GLN A 49 5.341 -4.762 -4.535 1.00 0.00 N ATOM 0 H GLN A 49 3.777 -4.521 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 49 4.622 -7.056 -3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.647 -4.838 -1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.263 -6.411 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.827 -5.647 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.831 -6.756 -3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.701 -5.528 -4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.078 -4.048 -5.214 1.00 0.00 H new ATOM 783 N GLU A 50 3.462 -6.878 -0.005 1.00 0.00 N ATOM 784 CA GLU A 50 2.986 -7.678 1.109 1.00 0.00 C ATOM 785 C GLU A 50 1.462 -7.790 1.109 1.00 0.00 C ATOM 786 O GLU A 50 0.833 -7.825 2.167 1.00 0.00 O ATOM 787 CB GLU A 50 3.463 -7.080 2.434 1.00 0.00 C ATOM 788 CG GLU A 50 2.435 -6.181 3.101 1.00 0.00 C ATOM 789 CD GLU A 50 3.057 -4.952 3.734 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.011 -4.400 3.146 1.00 0.00 O ATOM 791 OE2 GLU A 50 2.593 -4.543 4.819 1.00 0.00 O ATOM 0 H GLU A 50 3.322 -5.874 0.105 1.00 0.00 H new ATOM 0 HA GLU A 50 3.399 -8.680 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.722 -7.890 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.374 -6.508 2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.696 -5.870 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.903 -6.748 3.865 1.00 0.00 H new ATOM 798 N PHE A 51 0.874 -7.851 -0.082 1.00 0.00 N ATOM 799 CA PHE A 51 -0.571 -7.962 -0.216 1.00 0.00 C ATOM 800 C PHE A 51 -0.973 -8.901 -1.357 1.00 0.00 C ATOM 801 O PHE A 51 -2.102 -9.389 -1.392 1.00 0.00 O ATOM 802 CB PHE A 51 -1.200 -6.585 -0.437 1.00 0.00 C ATOM 803 CG PHE A 51 -1.748 -5.966 0.817 1.00 0.00 C ATOM 804 CD1 PHE A 51 -2.886 -6.478 1.417 1.00 0.00 C ATOM 805 CD2 PHE A 51 -1.125 -4.871 1.394 1.00 0.00 C ATOM 806 CE1 PHE A 51 -3.395 -5.910 2.569 1.00 0.00 C ATOM 807 CE2 PHE A 51 -1.629 -4.298 2.546 1.00 0.00 C ATOM 808 CZ PHE A 51 -2.765 -4.818 3.134 1.00 0.00 C ATOM 0 H PHE A 51 1.379 -7.825 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.944 -8.386 0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.452 -5.918 -0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.003 -6.675 -1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.382 -7.332 0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.236 -4.461 0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.284 -6.319 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.135 -3.444 2.986 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.160 -4.372 4.034 1.00 0.00 H new ATOM 818 N ILE A 52 -0.057 -9.149 -2.292 1.00 0.00 N ATOM 819 CA ILE A 52 -0.345 -10.024 -3.422 1.00 0.00 C ATOM 820 C ILE A 52 -1.421 -9.421 -4.316 1.00 0.00 C ATOM 821 O ILE A 52 -2.200 -10.139 -4.944 1.00 0.00 O ATOM 822 CB ILE A 52 -0.804 -11.417 -2.951 1.00 0.00 C ATOM 823 CG1 ILE A 52 -0.064 -11.816 -1.677 1.00 0.00 C ATOM 824 CG2 ILE A 52 -0.584 -12.448 -4.047 1.00 0.00 C ATOM 825 CD1 ILE A 52 -0.970 -11.967 -0.475 1.00 0.00 C ATOM 0 H ILE A 52 0.885 -8.758 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 52 0.580 -10.129 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.871 -11.377 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.458 -12.757 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.696 -11.066 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.914 -13.426 -3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.156 -12.167 -4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.476 -12.491 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.377 -12.252 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.473 -11.020 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.714 -12.738 -0.675 1.00 0.00 H new ATOM 837 N LEU A 53 -1.457 -8.093 -4.368 1.00 0.00 N ATOM 838 CA LEU A 53 -2.432 -7.382 -5.185 1.00 0.00 C ATOM 839 C LEU A 53 -2.110 -5.891 -5.230 1.00 0.00 C ATOM 840 O LEU A 53 -1.802 -5.282 -4.205 1.00 0.00 O ATOM 841 CB LEU A 53 -3.845 -7.597 -4.637 1.00 0.00 C ATOM 842 CG LEU A 53 -4.974 -7.117 -5.550 1.00 0.00 C ATOM 843 CD1 LEU A 53 -4.554 -7.207 -7.010 1.00 0.00 C ATOM 844 CD2 LEU A 53 -6.236 -7.928 -5.306 1.00 0.00 C ATOM 0 H LEU A 53 -0.820 -7.487 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.383 -7.780 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.984 -8.660 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.929 -7.083 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.186 -6.073 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.370 -6.861 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.676 -6.583 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.315 -8.241 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.029 -7.573 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.038 -8.980 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.547 -7.813 -4.268 1.00 0.00 H new ATOM 856 N ASP A 54 -2.175 -5.311 -6.424 1.00 0.00 N ATOM 857 CA ASP A 54 -1.883 -3.898 -6.600 1.00 0.00 C ATOM 858 C ASP A 54 -3.073 -3.033 -6.200 1.00 0.00 C ATOM 859 O ASP A 54 -4.226 -3.396 -6.436 1.00 0.00 O ATOM 860 CB ASP A 54 -1.498 -3.613 -8.053 1.00 0.00 C ATOM 861 CG ASP A 54 -2.693 -3.646 -8.985 1.00 0.00 C ATOM 862 OD1 ASP A 54 -3.811 -3.936 -8.508 1.00 0.00 O ATOM 863 OD2 ASP A 54 -2.512 -3.381 -10.192 1.00 0.00 O ATOM 0 H ASP A 54 -2.428 -5.800 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.045 -3.647 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.020 -2.635 -8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.764 -4.348 -8.382 1.00 0.00 H new ATOM 868 N ILE A 55 -2.784 -1.888 -5.590 1.00 0.00 N ATOM 869 CA ILE A 55 -3.821 -0.969 -5.152 1.00 0.00 C ATOM 870 C ILE A 55 -3.982 0.196 -6.126 1.00 0.00 C ATOM 871 O ILE A 55 -5.069 0.758 -6.261 1.00 0.00 O ATOM 872 CB ILE A 55 -3.522 -0.411 -3.748 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.747 -1.490 -2.688 1.00 0.00 C ATOM 874 CG2 ILE A 55 -4.389 0.806 -3.466 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.575 -0.990 -1.270 1.00 0.00 C ATOM 0 H ILE A 55 -1.834 -1.576 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.749 -1.539 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.477 -0.104 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.752 -1.896 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.050 -2.310 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.166 1.189 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.183 1.579 -4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.441 0.524 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.750 -1.809 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.562 -0.611 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.290 -0.190 -1.077 1.00 0.00 H new ATOM 887 N PRO A 56 -2.897 0.575 -6.818 1.00 0.00 N ATOM 888 CA PRO A 56 -2.918 1.680 -7.782 1.00 0.00 C ATOM 889 C PRO A 56 -4.097 1.590 -8.744 1.00 0.00 C ATOM 890 O PRO A 56 -5.032 0.821 -8.526 1.00 0.00 O ATOM 891 CB PRO A 56 -1.597 1.513 -8.534 1.00 0.00 C ATOM 892 CG PRO A 56 -0.690 0.853 -7.555 1.00 0.00 C ATOM 893 CD PRO A 56 -1.562 -0.043 -6.715 1.00 0.00 C ATOM 0 HA PRO A 56 -3.028 2.648 -7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.724 0.905 -9.429 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.200 2.475 -8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.082 0.278 -8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.180 1.592 -6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.564 -1.066 -7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.218 -0.083 -5.682 1.00 0.00 H new ATOM 901 N ASP A 57 -4.044 2.382 -9.809 1.00 0.00 N ATOM 902 CA ASP A 57 -5.108 2.393 -10.806 1.00 0.00 C ATOM 903 C ASP A 57 -6.406 2.924 -10.206 1.00 0.00 C ATOM 904 O ASP A 57 -6.477 3.213 -9.011 1.00 0.00 O ATOM 905 CB ASP A 57 -5.329 0.985 -11.364 1.00 0.00 C ATOM 906 CG ASP A 57 -4.319 0.623 -12.435 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.876 1.534 -13.165 1.00 0.00 O ATOM 908 OD2 ASP A 57 -3.970 -0.571 -12.543 1.00 0.00 O ATOM 0 H ASP A 57 -3.276 3.024 -10.004 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.805 3.054 -11.618 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.268 0.261 -10.551 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.335 0.915 -11.778 1.00 0.00 H new ATOM 913 N HIS A 58 -7.432 3.049 -11.042 1.00 0.00 N ATOM 914 CA HIS A 58 -8.727 3.545 -10.591 1.00 0.00 C ATOM 915 C HIS A 58 -9.036 3.052 -9.182 1.00 0.00 C ATOM 916 O HIS A 58 -9.799 3.679 -8.447 1.00 0.00 O ATOM 917 CB HIS A 58 -9.830 3.101 -11.553 1.00 0.00 C ATOM 918 CG HIS A 58 -9.336 2.237 -12.672 1.00 0.00 C ATOM 919 ND1 HIS A 58 -9.440 0.862 -12.663 1.00 0.00 N ATOM 920 CD2 HIS A 58 -8.733 2.558 -13.841 1.00 0.00 C ATOM 921 CE1 HIS A 58 -8.921 0.375 -13.776 1.00 0.00 C ATOM 922 NE2 HIS A 58 -8.486 1.384 -14.508 1.00 0.00 N ATOM 0 H HIS A 58 -7.392 2.814 -12.034 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.686 4.634 -10.575 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.591 2.557 -10.994 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.312 3.984 -11.972 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.491 3.553 -14.185 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -8.863 -0.670 -14.042 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.039 1.304 -15.421 1.00 0.00 H new ATOM 931 N ASP A 59 -8.439 1.923 -8.812 1.00 0.00 N ATOM 932 CA ASP A 59 -8.652 1.344 -7.493 1.00 0.00 C ATOM 933 C ASP A 59 -8.068 2.238 -6.404 1.00 0.00 C ATOM 934 O ASP A 59 -8.706 2.484 -5.380 1.00 0.00 O ATOM 935 CB ASP A 59 -8.023 -0.048 -7.417 1.00 0.00 C ATOM 936 CG ASP A 59 -9.041 -1.155 -7.616 1.00 0.00 C ATOM 937 OD1 ASP A 59 -9.883 -1.028 -8.529 1.00 0.00 O ATOM 938 OD2 ASP A 59 -8.995 -2.147 -6.859 1.00 0.00 O ATOM 0 H ASP A 59 -7.804 1.392 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.727 1.260 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.244 -0.134 -8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.540 -0.173 -6.448 1.00 0.00 H new ATOM 943 N ALA A 60 -6.851 2.722 -6.632 1.00 0.00 N ATOM 944 CA ALA A 60 -6.182 3.588 -5.671 1.00 0.00 C ATOM 945 C ALA A 60 -6.843 4.959 -5.616 1.00 0.00 C ATOM 946 O ALA A 60 -6.757 5.664 -4.610 1.00 0.00 O ATOM 947 CB ALA A 60 -4.707 3.723 -6.018 1.00 0.00 C ATOM 0 H ALA A 60 -6.309 2.528 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.270 3.132 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.220 4.373 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.237 2.740 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.606 4.153 -7.014 1.00 0.00 H new ATOM 953 N GLU A 61 -7.503 5.330 -6.706 1.00 0.00 N ATOM 954 CA GLU A 61 -8.182 6.614 -6.790 1.00 0.00 C ATOM 955 C GLU A 61 -9.564 6.544 -6.148 1.00 0.00 C ATOM 956 O GLU A 61 -10.115 7.559 -5.722 1.00 0.00 O ATOM 957 CB GLU A 61 -8.306 7.054 -8.251 1.00 0.00 C ATOM 958 CG GLU A 61 -6.970 7.184 -8.963 1.00 0.00 C ATOM 959 CD GLU A 61 -6.525 8.626 -9.109 1.00 0.00 C ATOM 960 OE1 GLU A 61 -7.256 9.412 -9.748 1.00 0.00 O ATOM 961 OE2 GLU A 61 -5.444 8.970 -8.583 1.00 0.00 O ATOM 0 H GLU A 61 -7.582 4.757 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.587 7.347 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.925 6.335 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.824 8.012 -8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.212 6.628 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.043 6.728 -9.951 1.00 0.00 H new ATOM 968 N LYS A 62 -10.120 5.339 -6.085 1.00 0.00 N ATOM 969 CA LYS A 62 -11.437 5.134 -5.498 1.00 0.00 C ATOM 970 C LYS A 62 -11.387 5.265 -3.980 1.00 0.00 C ATOM 971 O LYS A 62 -12.363 4.976 -3.289 1.00 0.00 O ATOM 972 CB LYS A 62 -11.982 3.758 -5.885 1.00 0.00 C ATOM 973 CG LYS A 62 -12.577 3.709 -7.283 1.00 0.00 C ATOM 974 CD LYS A 62 -13.021 5.087 -7.747 1.00 0.00 C ATOM 975 CE LYS A 62 -13.460 5.070 -9.201 1.00 0.00 C ATOM 976 NZ LYS A 62 -14.468 4.006 -9.466 1.00 0.00 N ATOM 0 H LYS A 62 -9.677 4.489 -6.434 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.102 5.905 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.178 3.026 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.745 3.463 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.840 3.309 -7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.428 3.028 -7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.843 5.435 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.202 5.796 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.880 6.041 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.591 4.914 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.866 4.134 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.013 3.073 -9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.231 4.067 -8.762 1.00 0.00 H new ATOM 990 N ILE A 63 -10.242 5.702 -3.466 1.00 0.00 N ATOM 991 CA ILE A 63 -10.064 5.871 -2.034 1.00 0.00 C ATOM 992 C ILE A 63 -10.055 7.346 -1.650 1.00 0.00 C ATOM 993 O ILE A 63 -9.234 8.121 -2.141 1.00 0.00 O ATOM 994 CB ILE A 63 -8.757 5.216 -1.546 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.010 4.409 -0.271 1.00 0.00 C ATOM 996 CG2 ILE A 63 -7.690 6.274 -1.309 1.00 0.00 C ATOM 997 CD1 ILE A 63 -8.510 2.984 -0.349 1.00 0.00 C ATOM 0 H ILE A 63 -9.423 5.945 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.909 5.379 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.399 4.535 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.527 4.910 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.080 4.399 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.773 5.795 -0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.494 6.807 -2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.038 6.978 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.723 2.472 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.012 2.467 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.434 2.985 -0.526 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.974 7.729 -0.769 1.00 0.00 N ATOM 1010 CA GLN A 64 -11.075 9.103 -0.321 1.00 0.00 C ATOM 1011 C GLN A 64 -10.834 9.209 1.181 1.00 0.00 C ATOM 1012 O GLN A 64 -10.480 10.273 1.689 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.447 9.680 -0.674 1.00 0.00 C ATOM 1014 CG GLN A 64 -12.769 9.621 -2.158 1.00 0.00 C ATOM 1015 CD GLN A 64 -13.695 8.473 -2.508 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -14.883 8.672 -2.757 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -13.153 7.260 -2.528 1.00 0.00 N ATOM 0 H GLN A 64 -11.660 7.099 -0.353 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.305 9.680 -0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.214 9.135 -0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.492 10.717 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.229 10.561 -2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.843 9.521 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.163 7.140 -2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.727 6.449 -2.756 1.00 0.00 H new ATOM 1026 N SER A 65 -11.028 8.100 1.887 1.00 0.00 N ATOM 1027 CA SER A 65 -10.832 8.071 3.332 1.00 0.00 C ATOM 1028 C SER A 65 -9.819 7.001 3.725 1.00 0.00 C ATOM 1029 O SER A 65 -9.676 5.985 3.044 1.00 0.00 O ATOM 1030 CB SER A 65 -12.163 7.814 4.042 1.00 0.00 C ATOM 1031 OG SER A 65 -13.249 8.332 3.295 1.00 0.00 O ATOM 0 H SER A 65 -11.320 7.210 1.483 1.00 0.00 H new ATOM 0 HA SER A 65 -10.444 9.042 3.639 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.298 6.743 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.146 8.273 5.030 1.00 0.00 H new ATOM 0 HG SER A 65 -14.087 8.153 3.770 1.00 0.00 H new ATOM 1037 N ILE A 66 -9.117 7.238 4.828 1.00 0.00 N ATOM 1038 CA ILE A 66 -8.117 6.297 5.315 1.00 0.00 C ATOM 1039 C ILE A 66 -8.759 4.977 5.725 1.00 0.00 C ATOM 1040 O ILE A 66 -8.184 3.904 5.531 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.341 6.871 6.516 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.000 8.344 6.276 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -6.077 6.063 6.766 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -5.666 8.552 5.592 1.00 0.00 C ATOM 0 H ILE A 66 -9.223 8.075 5.402 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.422 6.122 4.494 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.973 6.804 7.402 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.785 8.796 5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.995 8.868 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.540 6.481 7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.343 5.027 6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.440 6.100 5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.490 9.619 5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.872 8.130 6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.674 8.057 4.621 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.969 5.042 6.301 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.702 3.853 6.744 1.00 0.00 C ATOM 1058 C PRO A 67 -10.807 2.798 5.649 1.00 0.00 C ATOM 1059 O PRO A 67 -10.187 1.739 5.734 1.00 0.00 O ATOM 1060 CB PRO A 67 -12.088 4.401 7.095 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.853 5.831 7.436 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.716 6.285 6.563 1.00 0.00 C ATOM 0 HA PRO A 67 -10.205 3.352 7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.777 4.302 6.256 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.527 3.861 7.934 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.747 6.427 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.604 5.944 8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.075 6.740 5.640 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.096 7.028 7.065 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.596 3.095 4.622 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.780 2.169 3.509 1.00 0.00 C ATOM 1072 C ASP A 68 -10.437 1.761 2.914 1.00 0.00 C ATOM 1073 O ASP A 68 -10.340 0.762 2.203 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.657 2.806 2.430 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.975 2.074 2.250 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -13.949 0.834 2.107 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -15.030 2.742 2.253 1.00 0.00 O ATOM 0 H ASP A 68 -12.118 3.967 4.537 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.275 1.275 3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.854 3.845 2.693 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.116 2.814 1.484 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.404 2.543 3.209 1.00 0.00 N ATOM 1083 CA ALA A 69 -8.066 2.265 2.705 1.00 0.00 C ATOM 1084 C ALA A 69 -7.507 0.980 3.300 1.00 0.00 C ATOM 1085 O ALA A 69 -7.614 -0.094 2.708 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.139 3.435 3.001 1.00 0.00 C ATOM 0 H ALA A 69 -9.469 3.375 3.795 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.133 2.131 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.142 3.215 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.522 4.334 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.088 3.595 4.078 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.909 1.102 4.476 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.326 -0.043 5.159 1.00 0.00 C ATOM 1094 C VAL A 70 -7.402 -1.040 5.571 1.00 0.00 C ATOM 1095 O VAL A 70 -7.109 -2.200 5.865 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.536 0.389 6.409 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -6.459 1.050 7.421 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.821 -0.802 7.027 1.00 0.00 C ATOM 0 H VAL A 70 -6.815 1.985 4.978 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.643 -0.518 4.455 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.784 1.118 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.884 1.349 8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.920 1.930 6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.236 0.346 7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.268 -0.477 7.909 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.553 -1.556 7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.128 -1.227 6.301 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.648 -0.582 5.589 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.770 -1.429 5.962 1.00 0.00 C ATOM 1110 C GLU A 71 -10.065 -2.453 4.872 1.00 0.00 C ATOM 1111 O GLU A 71 -10.306 -3.626 5.157 1.00 0.00 O ATOM 1112 CB GLU A 71 -11.013 -0.578 6.228 1.00 0.00 C ATOM 1113 CG GLU A 71 -10.913 0.268 7.487 1.00 0.00 C ATOM 1114 CD GLU A 71 -11.010 -0.559 8.754 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -11.989 -1.323 8.891 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -10.108 -0.441 9.610 1.00 0.00 O ATOM 0 H GLU A 71 -8.905 0.375 5.348 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.502 -1.963 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.185 0.076 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.881 -1.233 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.967 0.809 7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.707 1.014 7.483 1.00 0.00 H new ATOM 1123 N TYR A 72 -10.046 -2.002 3.620 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.315 -2.880 2.489 1.00 0.00 C ATOM 1125 C TYR A 72 -9.217 -3.921 2.333 1.00 0.00 C ATOM 1126 O TYR A 72 -9.489 -5.114 2.203 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.452 -2.067 1.201 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.351 -2.330 0.199 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.162 -1.613 0.242 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -9.500 -3.296 -0.788 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.153 -1.850 -0.671 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -8.495 -3.539 -1.705 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.323 -2.813 -1.643 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.321 -3.052 -2.554 1.00 0.00 O ATOM 0 H TYR A 72 -9.847 -1.035 3.365 1.00 0.00 H new ATOM 0 HA TYR A 72 -11.255 -3.397 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.413 -2.293 0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.459 -1.006 1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.024 -0.858 1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.416 -3.866 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.235 -1.283 -0.624 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.626 -4.293 -2.467 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.530 -2.598 -3.397 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.976 -3.460 2.347 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.831 -4.348 2.207 1.00 0.00 C ATOM 1146 C ILE A 73 -6.698 -5.266 3.415 1.00 0.00 C ATOM 1147 O ILE A 73 -6.257 -6.410 3.300 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.516 -3.567 2.022 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.544 -2.271 2.840 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.275 -3.279 0.547 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.519 -1.014 1.998 1.00 0.00 C ATOM 0 H ILE A 73 -7.735 -2.475 2.454 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.010 -4.945 1.313 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.690 -4.178 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.440 -2.264 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.689 -2.261 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.342 -2.727 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.210 -4.219 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.100 -2.685 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.541 -0.140 2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.610 -0.996 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.388 -0.999 1.341 1.00 0.00 H new ATOM 1163 N ALA A 74 -7.087 -4.756 4.574 1.00 0.00 N ATOM 1164 CA ALA A 74 -7.017 -5.526 5.806 1.00 0.00 C ATOM 1165 C ALA A 74 -7.961 -6.716 5.756 1.00 0.00 C ATOM 1166 O ALA A 74 -7.576 -7.848 6.052 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.338 -4.642 7.002 1.00 0.00 C ATOM 0 H ALA A 74 -7.455 -3.811 4.687 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.000 -5.904 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.282 -5.232 7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.619 -3.824 7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.343 -4.235 6.894 1.00 0.00 H new ATOM 1173 N GLN A 75 -9.198 -6.450 5.372 1.00 0.00 N ATOM 1174 CA GLN A 75 -10.211 -7.487 5.280 1.00 0.00 C ATOM 1175 C GLN A 75 -10.046 -8.289 4.000 1.00 0.00 C ATOM 1176 O GLN A 75 -9.486 -9.388 4.009 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.610 -6.871 5.332 1.00 0.00 C ATOM 1178 CG GLN A 75 -12.307 -7.058 6.669 1.00 0.00 C ATOM 1179 CD GLN A 75 -12.406 -5.772 7.458 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -13.307 -5.598 8.279 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -11.477 -4.864 7.211 1.00 0.00 N ATOM 0 H GLN A 75 -9.526 -5.518 5.117 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.087 -8.158 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.537 -5.805 5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.223 -7.314 4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.308 -7.454 6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.765 -7.800 7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.750 -5.053 6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.488 -3.975 7.710 1.00 0.00 H new ATOM 1190 N ASN A 76 -10.527 -7.737 2.900 1.00 0.00 N ATOM 1191 CA ASN A 76 -10.421 -8.408 1.615 1.00 0.00 C ATOM 1192 C ASN A 76 -9.224 -9.353 1.622 1.00 0.00 C ATOM 1193 O ASN A 76 -9.386 -10.570 1.688 1.00 0.00 O ATOM 1194 CB ASN A 76 -10.292 -7.388 0.483 1.00 0.00 C ATOM 1195 CG ASN A 76 -11.617 -7.104 -0.195 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -12.290 -8.015 -0.678 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -12.001 -5.832 -0.233 1.00 0.00 N ATOM 0 H ASN A 76 -10.993 -6.830 2.870 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.328 -8.988 1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.884 -6.459 0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.581 -7.758 -0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.885 -5.579 -0.675 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.412 -5.109 0.180 1.00 0.00 H new ATOM 1204 N PRO A 77 -7.999 -8.803 1.565 1.00 0.00 N ATOM 1205 CA PRO A 77 -6.773 -9.608 1.576 1.00 0.00 C ATOM 1206 C PRO A 77 -6.702 -10.539 2.785 1.00 0.00 C ATOM 1207 O PRO A 77 -6.194 -11.656 2.688 1.00 0.00 O ATOM 1208 CB PRO A 77 -5.656 -8.564 1.642 1.00 0.00 C ATOM 1209 CG PRO A 77 -6.263 -7.324 1.085 1.00 0.00 C ATOM 1210 CD PRO A 77 -7.710 -7.360 1.488 1.00 0.00 C ATOM 0 HA PRO A 77 -6.710 -10.262 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.316 -8.413 2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.788 -8.876 1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.769 -6.436 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.160 -7.291 0.000 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.875 -6.864 2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.345 -6.860 0.756 1.00 0.00 H new ATOM 1218 N MET A 78 -7.214 -10.077 3.926 1.00 0.00 N ATOM 1219 CA MET A 78 -7.202 -10.878 5.145 1.00 0.00 C ATOM 1220 C MET A 78 -7.838 -12.245 4.910 1.00 0.00 C ATOM 1221 O MET A 78 -7.625 -13.180 5.682 1.00 0.00 O ATOM 1222 CB MET A 78 -7.940 -10.152 6.270 1.00 0.00 C ATOM 1223 CG MET A 78 -8.692 -11.084 7.206 1.00 0.00 C ATOM 1224 SD MET A 78 -9.453 -10.213 8.589 1.00 0.00 S ATOM 1225 CE MET A 78 -9.493 -11.510 9.824 1.00 0.00 C ATOM 0 H MET A 78 -7.640 -9.156 4.029 1.00 0.00 H new ATOM 0 HA MET A 78 -6.162 -11.025 5.436 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.222 -9.572 6.849 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.644 -9.444 5.833 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.464 -11.611 6.645 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.005 -11.838 7.590 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.938 -11.125 10.741 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.087 -12.346 9.455 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.478 -11.849 10.028 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.622 -12.354 3.843 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.286 -13.602 3.513 1.00 0.00 C ATOM 1237 C ALA A 79 -9.281 -13.859 2.009 1.00 0.00 C ATOM 1238 O ALA A 79 -10.026 -14.704 1.513 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.710 -13.603 4.048 1.00 0.00 C ATOM 0 H ALA A 79 -8.811 -11.590 3.194 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.730 -14.410 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.194 -14.546 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.692 -13.487 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.266 -12.777 3.604 1.00 0.00 H new ATOM 1245 N LYS A 80 -8.438 -13.124 1.290 1.00 0.00 N ATOM 1246 CA LYS A 80 -8.335 -13.271 -0.159 1.00 0.00 C ATOM 1247 C LYS A 80 -9.130 -14.479 -0.645 1.00 0.00 C ATOM 1248 O LYS A 80 -8.705 -15.618 -0.361 1.00 0.00 O ATOM 1249 CB LYS A 80 -6.870 -13.409 -0.575 1.00 0.00 C ATOM 1250 CG LYS A 80 -6.035 -12.174 -0.280 1.00 0.00 C ATOM 1251 CD LYS A 80 -4.552 -12.448 -0.468 1.00 0.00 C ATOM 1252 CE LYS A 80 -3.719 -11.203 -0.208 1.00 0.00 C ATOM 1253 NZ LYS A 80 -2.976 -11.291 1.080 1.00 0.00 N ATOM 1254 OXT LYS A 80 -10.170 -14.274 -1.306 1.00 0.00 O ATOM 0 H LYS A 80 -7.816 -12.420 1.687 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.755 -12.376 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.433 -14.264 -0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.823 -13.623 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.342 -11.360 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.219 -11.845 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.239 -13.244 0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.372 -12.802 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.012 -11.062 -1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.369 -10.328 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.248 -10.549 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.638 -11.162 1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.523 -12.224 1.156 1.00 0.00 H new TER 1268 LYS A 80 HETATM 1269 P24 PNS A 101 0.968 14.053 -8.144 1.00 0.00 P HETATM 1270 O25 PNS A 101 0.278 15.394 -7.584 1.00 0.00 O HETATM 1271 O26 PNS A 101 2.483 13.962 -7.603 1.00 0.00 O HETATM 1272 O27 PNS A 101 0.976 14.083 -9.754 1.00 0.00 O HETATM 1273 C28 PNS A 101 2.145 13.420 -10.239 1.00 0.00 C HETATM 1274 C29 PNS A 101 3.349 14.330 -10.093 1.00 0.00 C HETATM 1275 C30 PNS A 101 2.911 15.656 -9.527 1.00 0.00 C HETATM 1276 C31 PNS A 101 4.350 13.693 -9.163 1.00 0.00 C HETATM 1277 C32 PNS A 101 3.989 14.547 -11.456 1.00 0.00 C HETATM 1278 O33 PNS A 101 4.031 15.909 -11.874 1.00 0.00 O HETATM 1279 C34 PNS A 101 5.034 13.586 -11.947 1.00 0.00 C HETATM 1280 O35 PNS A 101 4.732 12.440 -12.281 1.00 0.00 O HETATM 1281 N36 PNS A 101 6.210 13.898 -11.412 1.00 0.00 N HETATM 1282 C37 PNS A 101 7.180 12.906 -10.955 1.00 0.00 C HETATM 1283 C38 PNS A 101 8.609 13.405 -11.085 1.00 0.00 C HETATM 1284 C39 PNS A 101 9.052 13.536 -12.528 1.00 0.00 C HETATM 1285 O40 PNS A 101 9.522 12.574 -13.136 1.00 0.00 O HETATM 1286 N41 PNS A 101 8.345 14.492 -13.124 1.00 0.00 N HETATM 1287 C42 PNS A 101 8.710 15.087 -14.406 1.00 0.00 C HETATM 1288 C43 PNS A 101 9.078 16.557 -14.270 1.00 0.00 C HETATM 1289 S44 PNS A 101 10.844 16.814 -14.562 1.00 0.00 S HETATM 0 H432 PNS A 101 8.499 17.147 -14.980 1.00 0.00 H new HETATM 0 H431 PNS A 101 8.816 16.910 -13.273 1.00 0.00 H new HETATM 0 H422 PNS A 101 7.878 14.985 -15.103 1.00 0.00 H new HETATM 0 H421 PNS A 101 9.552 14.541 -14.832 1.00 0.00 H new HETATM 0 H382 PNS A 101 9.278 12.720 -10.564 1.00 0.00 H new HETATM 0 H381 PNS A 101 8.698 14.373 -10.592 1.00 0.00 H new HETATM 0 H372 PNS A 101 7.062 11.990 -11.534 1.00 0.00 H new HETATM 0 H371 PNS A 101 6.977 12.654 -9.914 1.00 0.00 H new HETATM 0 H313 PNS A 101 5.216 14.347 -9.058 1.00 0.00 H new HETATM 0 H312 PNS A 101 4.667 12.734 -9.572 1.00 0.00 H new HETATM 0 H311 PNS A 101 3.892 13.537 -8.186 1.00 0.00 H new HETATM 0 H303 PNS A 101 3.776 16.310 -9.422 1.00 0.00 H new HETATM 0 H302 PNS A 101 2.453 15.501 -8.550 1.00 0.00 H new HETATM 0 H301 PNS A 101 2.187 16.117 -10.199 1.00 0.00 H new HETATM 0 H282 PNS A 101 2.011 13.144 -11.285 1.00 0.00 H new HETATM 0 H281 PNS A 101 2.307 12.496 -9.684 1.00 0.00 H new HETATM 0 H44 PNS A 101 11.124 18.078 -14.441 1.00 0.00 H new HETATM 0 H41 PNS A 101 7.501 14.828 -12.660 1.00 0.00 H new HETATM 0 H36 PNS A 101 6.448 14.885 -11.315 1.00 0.00 H new HETATM 0 H33 PNS A 101 4.456 15.968 -12.755 1.00 0.00 H new HETATM 0 H32 PNS A 101 3.245 14.123 -12.130 1.00 0.00 H new