USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=13 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.245 (180deg=-2.32!) USER MOD Single : A 2 ASN : amide:sc= -0.361 K(o=-0.36,f=-3.4!) 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= -4.14! C(o=-4.1!,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ -151:sc= -0.845! (180deg=-2.74!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00142) USER MOD Single : A 24 THR OG1 : rot -110:sc= -3.21! USER MOD Single : A 27 SER OG : rot 180:sc= -0.68 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= -0.777 (180deg=-2.09!) USER MOD Single : A 36 ASN : amide:sc= -20.9! C(o=-21!,f=-31!) USER MOD Single : A 49 GLN : amide:sc= -0.846 X(o=-0.85,f=-1.2) USER MOD Single : A 58 HIS : no HD1:sc= -4.51! K(o=-4.5!,f=-0.66) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -4.64! K(o=-4.6!,f=-0.68) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00771 USER MOD Single : A 72 TYR OH : rot 40:sc= -3.2! USER MOD Single : A 75 GLN : amide:sc= -4.15 K(o=-4.1,f=-1.6) USER MOD Single : A 76 ASN : amide:sc=-0.00122 X(o=-0.0012,f=-0.14) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= -7.35! (180deg=-13.8!) USER MOD Single : A 101 PNS O33 : rot -139:sc= 0.431 USER MOD Single : A 101 PNS S44 : rot 180:sc= -1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.828 -8.158 8.342 1.00 0.00 N ATOM 2 CA MET A 1 -5.451 -7.516 9.530 1.00 0.00 C ATOM 3 C MET A 1 -4.542 -6.439 10.114 1.00 0.00 C ATOM 4 O MET A 1 -4.460 -5.331 9.588 1.00 0.00 O ATOM 5 CB MET A 1 -5.730 -8.596 10.577 1.00 0.00 C ATOM 6 CG MET A 1 -4.646 -9.660 10.658 1.00 0.00 C ATOM 7 SD MET A 1 -4.560 -10.441 12.280 1.00 0.00 S ATOM 8 CE MET A 1 -3.415 -11.777 11.953 1.00 0.00 C ATOM 0 H1 MET A 1 -5.153 -9.143 8.269 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.102 -7.639 7.483 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.793 -8.142 8.441 1.00 0.00 H new ATOM 0 HA MET A 1 -6.381 -7.034 9.230 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.838 -8.124 11.554 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.682 -9.075 10.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.833 -10.422 9.902 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.681 -9.209 10.424 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.259 -12.354 12.865 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.824 -12.426 11.178 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.463 -11.366 11.617 1.00 0.00 H new ATOM 20 N ASN A 2 -3.866 -6.772 11.208 1.00 0.00 N ATOM 21 CA ASN A 2 -2.965 -5.836 11.866 1.00 0.00 C ATOM 22 C ASN A 2 -1.694 -5.624 11.051 1.00 0.00 C ATOM 23 O ASN A 2 -1.092 -4.553 11.083 1.00 0.00 O ATOM 24 CB ASN A 2 -2.606 -6.336 13.266 1.00 0.00 C ATOM 25 CG ASN A 2 -3.832 -6.592 14.121 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.961 -6.563 13.630 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.616 -6.844 15.406 1.00 0.00 N ATOM 0 H ASN A 2 -3.926 -7.685 11.658 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.482 -4.880 11.948 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.026 -7.255 13.183 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.970 -5.601 13.759 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.403 -7.024 16.030 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.663 -6.858 15.770 1.00 0.00 H new ATOM 34 N ASP A 3 -1.284 -6.664 10.340 1.00 0.00 N ATOM 35 CA ASP A 3 -0.071 -6.618 9.529 1.00 0.00 C ATOM 36 C ASP A 3 -0.116 -5.514 8.476 1.00 0.00 C ATOM 37 O ASP A 3 0.905 -4.902 8.165 1.00 0.00 O ATOM 38 CB ASP A 3 0.160 -7.969 8.850 1.00 0.00 C ATOM 39 CG ASP A 3 0.830 -8.971 9.769 1.00 0.00 C ATOM 40 OD1 ASP A 3 0.117 -9.617 10.564 1.00 0.00 O ATOM 41 OD2 ASP A 3 2.069 -9.109 9.694 1.00 0.00 O ATOM 0 H ASP A 3 -1.776 -7.557 10.307 1.00 0.00 H new ATOM 0 HA ASP A 3 0.756 -6.395 10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.795 -8.371 8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.776 -7.826 7.962 1.00 0.00 H new ATOM 46 N VAL A 4 -1.292 -5.277 7.914 1.00 0.00 N ATOM 47 CA VAL A 4 -1.446 -4.261 6.878 1.00 0.00 C ATOM 48 C VAL A 4 -1.327 -2.841 7.433 1.00 0.00 C ATOM 49 O VAL A 4 -0.515 -2.056 6.957 1.00 0.00 O ATOM 50 CB VAL A 4 -2.790 -4.399 6.138 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.843 -5.706 5.365 1.00 0.00 C ATOM 52 CG2 VAL A 4 -3.950 -4.299 7.114 1.00 0.00 C ATOM 0 H VAL A 4 -2.151 -5.771 8.155 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.630 -4.430 6.176 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.876 -3.580 5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.800 -5.785 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.034 -5.730 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.733 -6.542 6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.891 -4.399 6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.872 -5.095 7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.921 -3.332 7.616 1.00 0.00 H new ATOM 62 N LEU A 5 -2.142 -2.512 8.430 1.00 0.00 N ATOM 63 CA LEU A 5 -2.115 -1.180 9.026 1.00 0.00 C ATOM 64 C LEU A 5 -0.817 -0.931 9.787 1.00 0.00 C ATOM 65 O LEU A 5 -0.319 0.190 9.832 1.00 0.00 O ATOM 66 CB LEU A 5 -3.329 -0.952 9.936 1.00 0.00 C ATOM 67 CG LEU A 5 -3.476 -1.908 11.120 1.00 0.00 C ATOM 68 CD1 LEU A 5 -3.856 -3.291 10.629 1.00 0.00 C ATOM 69 CD2 LEU A 5 -2.200 -1.955 11.947 1.00 0.00 C ATOM 0 H LEU A 5 -2.827 -3.146 8.841 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.164 -0.461 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.281 0.066 10.322 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.231 -1.020 9.327 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.272 -1.538 11.766 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.958 -3.964 11.480 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.803 -3.239 10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.080 -3.666 9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.333 -2.643 12.782 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.374 -2.297 11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.977 -0.959 12.329 1.00 0.00 H new ATOM 81 N THR A 6 -0.284 -1.978 10.394 1.00 0.00 N ATOM 82 CA THR A 6 0.948 -1.870 11.170 1.00 0.00 C ATOM 83 C THR A 6 2.131 -1.458 10.300 1.00 0.00 C ATOM 84 O THR A 6 2.799 -0.460 10.570 1.00 0.00 O ATOM 85 CB THR A 6 1.257 -3.195 11.865 1.00 0.00 C ATOM 86 OG1 THR A 6 2.518 -3.145 12.507 1.00 0.00 O ATOM 87 CG2 THR A 6 1.269 -4.370 10.916 1.00 0.00 C ATOM 0 H THR A 6 -0.683 -2.916 10.366 1.00 0.00 H new ATOM 0 HA THR A 6 0.793 -1.093 11.919 1.00 0.00 H new ATOM 0 HB THR A 6 0.456 -3.338 12.590 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.695 -4.003 12.947 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.494 -5.282 11.469 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.292 -4.465 10.442 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.029 -4.212 10.151 1.00 0.00 H new ATOM 95 N ARG A 7 2.390 -2.240 9.264 1.00 0.00 N ATOM 96 CA ARG A 7 3.494 -1.976 8.356 1.00 0.00 C ATOM 97 C ARG A 7 3.149 -0.851 7.392 1.00 0.00 C ATOM 98 O ARG A 7 3.971 0.023 7.117 1.00 0.00 O ATOM 99 CB ARG A 7 3.851 -3.242 7.575 1.00 0.00 C ATOM 100 CG ARG A 7 3.005 -3.446 6.328 1.00 0.00 C ATOM 101 CD ARG A 7 3.466 -2.552 5.188 1.00 0.00 C ATOM 102 NE ARG A 7 4.072 -3.316 4.103 1.00 0.00 N ATOM 103 CZ ARG A 7 5.356 -3.662 4.073 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.162 -3.310 5.067 1.00 0.00 N ATOM 105 NH2 ARG A 7 5.834 -4.358 3.051 1.00 0.00 N ATOM 0 H ARG A 7 1.845 -3.070 9.030 1.00 0.00 H new ATOM 0 HA ARG A 7 4.355 -1.668 8.950 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.902 -3.198 7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.735 -4.107 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.059 -4.490 6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.961 -3.235 6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.616 -1.988 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.186 -1.826 5.566 1.00 0.00 H new ATOM 0 HE ARG A 7 3.478 -3.601 3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.797 -2.774 5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.147 -3.576 5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.217 -4.629 2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.819 -4.622 3.030 1.00 0.00 H new ATOM 119 N VAL A 8 1.927 -0.884 6.878 1.00 0.00 N ATOM 120 CA VAL A 8 1.465 0.125 5.940 1.00 0.00 C ATOM 121 C VAL A 8 1.415 1.501 6.592 1.00 0.00 C ATOM 122 O VAL A 8 1.942 2.474 6.053 1.00 0.00 O ATOM 123 CB VAL A 8 0.069 -0.217 5.383 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.015 0.209 6.360 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.140 0.439 4.027 1.00 0.00 C ATOM 0 H VAL A 8 1.237 -1.602 7.097 1.00 0.00 H new ATOM 0 HA VAL A 8 2.181 0.140 5.118 1.00 0.00 H new ATOM 0 HB VAL A 8 0.005 -1.297 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.993 -0.041 5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.876 -0.311 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.954 1.285 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.131 0.186 3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.056 1.521 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.617 0.081 3.329 1.00 0.00 H new ATOM 135 N LEU A 9 0.779 1.574 7.756 1.00 0.00 N ATOM 136 CA LEU A 9 0.663 2.833 8.485 1.00 0.00 C ATOM 137 C LEU A 9 2.043 3.410 8.777 1.00 0.00 C ATOM 138 O LEU A 9 2.286 4.601 8.582 1.00 0.00 O ATOM 139 CB LEU A 9 -0.100 2.616 9.793 1.00 0.00 C ATOM 140 CG LEU A 9 0.730 2.025 10.934 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.635 3.086 11.541 1.00 0.00 C ATOM 142 CD2 LEU A 9 -0.179 1.426 11.996 1.00 0.00 C ATOM 0 H LEU A 9 0.336 0.778 8.215 1.00 0.00 H new ATOM 0 HA LEU A 9 0.113 3.541 7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.511 3.571 10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.945 1.956 9.598 1.00 0.00 H new ATOM 0 HG LEU A 9 1.357 1.231 10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.218 2.647 12.351 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.309 3.470 10.776 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.027 3.902 11.932 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.427 1.010 12.801 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.831 2.202 12.397 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.785 0.636 11.553 1.00 0.00 H new ATOM 154 N GLU A 10 2.945 2.552 9.241 1.00 0.00 N ATOM 155 CA GLU A 10 4.306 2.963 9.557 1.00 0.00 C ATOM 156 C GLU A 10 5.045 3.395 8.300 1.00 0.00 C ATOM 157 O GLU A 10 5.856 4.321 8.323 1.00 0.00 O ATOM 158 CB GLU A 10 5.061 1.814 10.225 1.00 0.00 C ATOM 159 CG GLU A 10 5.351 0.658 9.282 1.00 0.00 C ATOM 160 CD GLU A 10 6.674 -0.020 9.579 1.00 0.00 C ATOM 161 OE1 GLU A 10 6.923 -0.345 10.759 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.463 -0.223 8.632 1.00 0.00 O ATOM 0 H GLU A 10 2.756 1.564 9.407 1.00 0.00 H new ATOM 0 HA GLU A 10 4.255 3.810 10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.002 2.191 10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.478 1.447 11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.547 -0.075 9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.357 1.024 8.255 1.00 0.00 H new ATOM 169 N VAL A 11 4.758 2.705 7.208 1.00 0.00 N ATOM 170 CA VAL A 11 5.389 2.988 5.928 1.00 0.00 C ATOM 171 C VAL A 11 5.126 4.417 5.475 1.00 0.00 C ATOM 172 O VAL A 11 6.052 5.160 5.152 1.00 0.00 O ATOM 173 CB VAL A 11 4.902 2.017 4.850 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.875 2.688 3.489 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.772 0.769 4.823 1.00 0.00 C ATOM 0 H VAL A 11 4.086 1.938 7.183 1.00 0.00 H new ATOM 0 HA VAL A 11 6.462 2.860 6.070 1.00 0.00 H new ATOM 0 HB VAL A 11 3.883 1.717 5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.526 1.977 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.201 3.544 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.879 3.025 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.411 0.090 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.803 1.049 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.726 0.273 5.792 1.00 0.00 H new ATOM 185 N VAL A 12 3.857 4.790 5.454 1.00 0.00 N ATOM 186 CA VAL A 12 3.460 6.130 5.042 1.00 0.00 C ATOM 187 C VAL A 12 3.918 7.175 6.052 1.00 0.00 C ATOM 188 O VAL A 12 4.507 8.192 5.686 1.00 0.00 O ATOM 189 CB VAL A 12 1.933 6.235 4.870 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.490 5.546 3.589 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.218 5.644 6.075 1.00 0.00 C ATOM 0 H VAL A 12 3.081 4.183 5.718 1.00 0.00 H new ATOM 0 HA VAL A 12 3.941 6.321 4.083 1.00 0.00 H new ATOM 0 HB VAL A 12 1.667 7.290 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.408 5.631 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.975 6.019 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.769 4.493 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.140 5.727 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.490 4.594 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.510 6.187 6.974 1.00 0.00 H new ATOM 201 N LYS A 13 3.643 6.916 7.326 1.00 0.00 N ATOM 202 CA LYS A 13 4.026 7.835 8.392 1.00 0.00 C ATOM 203 C LYS A 13 5.517 8.150 8.326 1.00 0.00 C ATOM 204 O LYS A 13 5.917 9.313 8.373 1.00 0.00 O ATOM 205 CB LYS A 13 3.679 7.238 9.756 1.00 0.00 C ATOM 206 CG LYS A 13 4.659 6.174 10.223 1.00 0.00 C ATOM 207 CD LYS A 13 4.251 5.593 11.566 1.00 0.00 C ATOM 208 CE LYS A 13 4.114 6.677 12.623 1.00 0.00 C ATOM 209 NZ LYS A 13 5.194 6.595 13.646 1.00 0.00 N ATOM 0 H LYS A 13 3.157 6.078 7.645 1.00 0.00 H new ATOM 0 HA LYS A 13 3.470 8.763 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.645 8.038 10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.680 6.804 9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.713 5.377 9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.657 6.606 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.304 5.063 11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.992 4.861 11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.141 7.656 12.145 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.144 6.587 13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.065 7.351 14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.153 5.671 14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.119 6.706 13.184 1.00 0.00 H new ATOM 223 N ASN A 14 6.334 7.107 8.220 1.00 0.00 N ATOM 224 CA ASN A 14 7.775 7.273 8.152 1.00 0.00 C ATOM 225 C ASN A 14 8.225 7.569 6.726 1.00 0.00 C ATOM 226 O ASN A 14 9.408 7.795 6.473 1.00 0.00 O ATOM 227 CB ASN A 14 8.480 6.018 8.672 1.00 0.00 C ATOM 228 CG ASN A 14 7.925 5.553 10.004 1.00 0.00 C ATOM 229 OD1 ASN A 14 8.005 6.265 11.006 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.357 4.353 10.023 1.00 0.00 N ATOM 0 H ASN A 14 6.019 6.138 8.180 1.00 0.00 H new ATOM 0 HA ASN A 14 8.046 8.121 8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.378 5.217 7.939 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.546 6.220 8.776 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.965 3.988 10.891 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.312 3.796 9.169 1.00 0.00 H new ATOM 237 N PHE A 15 7.274 7.570 5.797 1.00 0.00 N ATOM 238 CA PHE A 15 7.575 7.842 4.399 1.00 0.00 C ATOM 239 C PHE A 15 7.953 9.304 4.205 1.00 0.00 C ATOM 240 O PHE A 15 8.644 9.656 3.250 1.00 0.00 O ATOM 241 CB PHE A 15 6.376 7.488 3.518 1.00 0.00 C ATOM 242 CG PHE A 15 6.541 6.196 2.769 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.499 5.273 3.158 1.00 0.00 C ATOM 244 CD2 PHE A 15 5.738 5.905 1.678 1.00 0.00 C ATOM 245 CE1 PHE A 15 7.654 4.084 2.472 1.00 0.00 C ATOM 246 CE2 PHE A 15 5.888 4.717 0.988 1.00 0.00 C ATOM 247 CZ PHE A 15 6.847 3.805 1.385 1.00 0.00 C ATOM 0 H PHE A 15 6.289 7.385 5.989 1.00 0.00 H new ATOM 0 HA PHE A 15 8.423 7.223 4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.484 7.426 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.210 8.294 2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.132 5.486 4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.987 6.614 1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.405 3.373 2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.256 4.502 0.139 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.966 2.876 0.847 1.00 0.00 H new ATOM 257 N GLU A 16 7.494 10.148 5.123 1.00 0.00 N ATOM 258 CA GLU A 16 7.776 11.579 5.070 1.00 0.00 C ATOM 259 C GLU A 16 6.527 12.364 4.683 1.00 0.00 C ATOM 260 O GLU A 16 6.477 13.585 4.837 1.00 0.00 O ATOM 261 CB GLU A 16 8.904 11.873 4.080 1.00 0.00 C ATOM 262 CG GLU A 16 8.426 12.068 2.657 1.00 0.00 C ATOM 263 CD GLU A 16 9.229 11.265 1.652 1.00 0.00 C ATOM 264 OE1 GLU A 16 10.209 10.610 2.063 1.00 0.00 O ATOM 265 OE2 GLU A 16 8.878 11.293 0.453 1.00 0.00 O ATOM 0 H GLU A 16 6.921 9.864 5.918 1.00 0.00 H new ATOM 0 HA GLU A 16 8.092 11.894 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.435 12.769 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.621 11.052 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.377 11.782 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.485 13.126 2.400 1.00 0.00 H new ATOM 272 N LYS A 17 5.522 11.657 4.178 1.00 0.00 N ATOM 273 CA LYS A 17 4.275 12.288 3.768 1.00 0.00 C ATOM 274 C LYS A 17 3.569 12.928 4.960 1.00 0.00 C ATOM 275 O LYS A 17 3.156 14.086 4.899 1.00 0.00 O ATOM 276 CB LYS A 17 3.355 11.263 3.104 1.00 0.00 C ATOM 277 CG LYS A 17 3.742 10.936 1.671 1.00 0.00 C ATOM 278 CD LYS A 17 4.886 9.936 1.620 1.00 0.00 C ATOM 279 CE LYS A 17 4.565 8.769 0.701 1.00 0.00 C ATOM 280 NZ LYS A 17 5.799 8.112 0.186 1.00 0.00 N ATOM 0 H LYS A 17 5.548 10.646 4.043 1.00 0.00 H new ATOM 0 HA LYS A 17 4.513 13.071 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.363 10.345 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.333 11.642 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.879 10.531 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.032 11.850 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.791 10.435 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.091 9.564 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.962 8.038 1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.964 9.122 -0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.607 7.695 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.558 8.818 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.095 7.364 0.845 1.00 0.00 H new ATOM 294 N VAL A 18 3.435 12.168 6.041 1.00 0.00 N ATOM 295 CA VAL A 18 2.780 12.664 7.245 1.00 0.00 C ATOM 296 C VAL A 18 2.665 11.570 8.301 1.00 0.00 C ATOM 297 O VAL A 18 2.457 10.401 7.978 1.00 0.00 O ATOM 298 CB VAL A 18 1.373 13.210 6.935 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.424 14.709 6.688 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.771 12.486 5.740 1.00 0.00 C ATOM 0 H VAL A 18 3.771 11.207 6.108 1.00 0.00 H new ATOM 0 HA VAL A 18 3.400 13.473 7.630 1.00 0.00 H new ATOM 0 HB VAL A 18 0.735 13.029 7.800 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.421 15.076 6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.810 15.211 7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.078 14.916 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.223 12.885 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.407 12.633 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.696 11.421 5.960 1.00 0.00 H new ATOM 310 N ASP A 19 2.801 11.957 9.565 1.00 0.00 N ATOM 311 CA ASP A 19 2.713 11.010 10.668 1.00 0.00 C ATOM 312 C ASP A 19 1.305 10.432 10.778 1.00 0.00 C ATOM 313 O ASP A 19 0.331 11.169 10.934 1.00 0.00 O ATOM 314 CB ASP A 19 3.102 11.689 11.983 1.00 0.00 C ATOM 315 CG ASP A 19 2.820 10.815 13.190 1.00 0.00 C ATOM 316 OD1 ASP A 19 2.680 9.587 13.014 1.00 0.00 O ATOM 317 OD2 ASP A 19 2.740 11.360 14.311 1.00 0.00 O ATOM 0 H ASP A 19 2.973 12.921 9.850 1.00 0.00 H new ATOM 0 HA ASP A 19 3.407 10.193 10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.162 11.940 11.959 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.555 12.626 12.081 1.00 0.00 H new ATOM 322 N ALA A 20 1.206 9.110 10.694 1.00 0.00 N ATOM 323 CA ALA A 20 -0.082 8.433 10.782 1.00 0.00 C ATOM 324 C ALA A 20 -0.793 8.771 12.088 1.00 0.00 C ATOM 325 O ALA A 20 -1.988 8.517 12.239 1.00 0.00 O ATOM 326 CB ALA A 20 0.103 6.928 10.655 1.00 0.00 C ATOM 0 H ALA A 20 2.002 8.486 10.565 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.705 8.783 9.959 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.867 6.435 10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.561 6.698 9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.748 6.572 11.458 1.00 0.00 H new ATOM 332 N SER A 21 -0.050 9.341 13.031 1.00 0.00 N ATOM 333 CA SER A 21 -0.610 9.711 14.324 1.00 0.00 C ATOM 334 C SER A 21 -1.628 10.836 14.175 1.00 0.00 C ATOM 335 O SER A 21 -2.470 11.045 15.048 1.00 0.00 O ATOM 336 CB SER A 21 0.503 10.138 15.281 1.00 0.00 C ATOM 337 OG SER A 21 0.017 10.256 16.608 1.00 0.00 O ATOM 0 H SER A 21 0.941 9.556 12.923 1.00 0.00 H new ATOM 0 HA SER A 21 -1.118 8.839 14.735 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.313 9.409 15.250 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.920 11.092 14.957 1.00 0.00 H new ATOM 0 HG SER A 21 0.748 10.529 17.201 1.00 0.00 H new ATOM 343 N LYS A 22 -1.545 11.557 13.062 1.00 0.00 N ATOM 344 CA LYS A 22 -2.456 12.658 12.795 1.00 0.00 C ATOM 345 C LYS A 22 -3.649 12.192 11.968 1.00 0.00 C ATOM 346 O LYS A 22 -4.664 12.883 11.881 1.00 0.00 O ATOM 347 CB LYS A 22 -1.724 13.788 12.066 1.00 0.00 C ATOM 348 CG LYS A 22 -1.049 13.343 10.779 1.00 0.00 C ATOM 349 CD LYS A 22 0.455 13.564 10.834 1.00 0.00 C ATOM 350 CE LYS A 22 0.794 15.013 11.145 1.00 0.00 C ATOM 351 NZ LYS A 22 2.175 15.365 10.714 1.00 0.00 N ATOM 0 H LYS A 22 -0.853 11.396 12.330 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.825 13.030 13.751 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.434 14.583 11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.973 14.213 12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.257 12.287 10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.468 13.894 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.892 12.916 11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.900 13.282 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.080 15.668 10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.692 15.188 12.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.355 16.370 10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.860 14.781 11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.275 15.191 9.694 1.00 0.00 H new ATOM 365 N VAL A 23 -3.517 11.017 11.361 1.00 0.00 N ATOM 366 CA VAL A 23 -4.582 10.458 10.539 1.00 0.00 C ATOM 367 C VAL A 23 -5.795 10.084 11.384 1.00 0.00 C ATOM 368 O VAL A 23 -5.683 9.325 12.346 1.00 0.00 O ATOM 369 CB VAL A 23 -4.103 9.213 9.770 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.880 9.542 8.929 1.00 0.00 C ATOM 371 CG2 VAL A 23 -3.807 8.073 10.732 1.00 0.00 C ATOM 0 H VAL A 23 -2.682 10.434 11.423 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.867 11.231 9.825 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.901 8.894 9.099 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.556 8.650 8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.131 10.325 8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.075 9.888 9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.470 7.202 10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.028 8.379 11.430 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.711 7.820 11.286 1.00 0.00 H new ATOM 381 N THR A 24 -6.953 10.620 11.016 1.00 0.00 N ATOM 382 CA THR A 24 -8.185 10.347 11.730 1.00 0.00 C ATOM 383 C THR A 24 -9.158 9.568 10.849 1.00 0.00 C ATOM 384 O THR A 24 -9.061 9.600 9.622 1.00 0.00 O ATOM 385 CB THR A 24 -8.825 11.652 12.207 1.00 0.00 C ATOM 386 OG1 THR A 24 -9.391 11.492 13.496 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.913 12.160 11.287 1.00 0.00 C ATOM 0 H THR A 24 -7.060 11.250 10.221 1.00 0.00 H new ATOM 0 HA THR A 24 -7.948 9.736 12.601 1.00 0.00 H new ATOM 0 HB THR A 24 -8.015 12.381 12.219 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.368 11.521 13.430 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.323 13.088 11.686 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.496 12.344 10.297 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.705 11.415 11.214 1.00 0.00 H new ATOM 395 N PRO A 25 -10.111 8.853 11.467 1.00 0.00 N ATOM 396 CA PRO A 25 -11.104 8.058 10.737 1.00 0.00 C ATOM 397 C PRO A 25 -11.911 8.899 9.752 1.00 0.00 C ATOM 398 O PRO A 25 -12.276 8.429 8.675 1.00 0.00 O ATOM 399 CB PRO A 25 -12.017 7.503 11.841 1.00 0.00 C ATOM 400 CG PRO A 25 -11.726 8.332 13.047 1.00 0.00 C ATOM 401 CD PRO A 25 -10.294 8.759 12.920 1.00 0.00 C ATOM 0 HA PRO A 25 -10.632 7.283 10.133 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.067 7.577 11.557 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.811 6.449 12.029 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.388 9.197 13.095 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.883 7.759 13.961 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.111 9.714 13.413 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.614 8.034 13.367 1.00 0.00 H new ATOM 409 N GLU A 26 -12.184 10.144 10.128 1.00 0.00 N ATOM 410 CA GLU A 26 -12.944 11.046 9.278 1.00 0.00 C ATOM 411 C GLU A 26 -12.014 11.977 8.505 1.00 0.00 C ATOM 412 O GLU A 26 -12.466 12.888 7.812 1.00 0.00 O ATOM 413 CB GLU A 26 -13.925 11.867 10.118 1.00 0.00 C ATOM 414 CG GLU A 26 -13.263 12.633 11.252 1.00 0.00 C ATOM 415 CD GLU A 26 -13.405 11.931 12.589 1.00 0.00 C ATOM 416 OE1 GLU A 26 -14.157 10.936 12.660 1.00 0.00 O ATOM 417 OE2 GLU A 26 -12.765 12.377 13.564 1.00 0.00 O ATOM 0 H GLU A 26 -11.889 10.549 11.016 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.505 10.445 8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.444 12.572 9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.681 11.200 10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.205 12.767 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.703 13.628 11.319 1.00 0.00 H new ATOM 424 N SER A 27 -10.712 11.743 8.635 1.00 0.00 N ATOM 425 CA SER A 27 -9.716 12.557 7.956 1.00 0.00 C ATOM 426 C SER A 27 -9.593 12.167 6.487 1.00 0.00 C ATOM 427 O SER A 27 -9.565 10.984 6.149 1.00 0.00 O ATOM 428 CB SER A 27 -8.359 12.420 8.647 1.00 0.00 C ATOM 429 OG SER A 27 -7.381 11.913 7.755 1.00 0.00 O ATOM 0 H SER A 27 -10.323 10.993 9.207 1.00 0.00 H new ATOM 0 HA SER A 27 -10.041 13.596 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.041 13.391 9.026 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.451 11.756 9.507 1.00 0.00 H new ATOM 0 HG SER A 27 -6.522 11.836 8.221 1.00 0.00 H new ATOM 435 N HIS A 28 -9.520 13.171 5.620 1.00 0.00 N ATOM 436 CA HIS A 28 -9.397 12.938 4.190 1.00 0.00 C ATOM 437 C HIS A 28 -7.957 12.603 3.816 1.00 0.00 C ATOM 438 O HIS A 28 -7.015 13.071 4.457 1.00 0.00 O ATOM 439 CB HIS A 28 -9.869 14.166 3.410 1.00 0.00 C ATOM 440 CG HIS A 28 -11.159 13.952 2.681 1.00 0.00 C ATOM 441 ND1 HIS A 28 -11.275 13.128 1.580 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.395 14.459 2.901 1.00 0.00 C ATOM 443 CE1 HIS A 28 -12.526 13.139 1.154 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.226 13.938 1.938 1.00 0.00 N ATOM 0 H HIS A 28 -9.544 14.155 5.886 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.027 12.088 3.929 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.985 15.002 4.100 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.098 14.449 2.693 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.676 15.145 3.687 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.910 12.588 0.308 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.222 14.137 1.844 1.00 0.00 H new ATOM 453 N PHE A 29 -7.792 11.790 2.778 1.00 0.00 N ATOM 454 CA PHE A 29 -6.466 11.393 2.324 1.00 0.00 C ATOM 455 C PHE A 29 -5.714 12.583 1.736 1.00 0.00 C ATOM 456 O PHE A 29 -5.786 13.695 2.259 1.00 0.00 O ATOM 457 CB PHE A 29 -6.572 10.276 1.285 1.00 0.00 C ATOM 458 CG PHE A 29 -5.315 9.464 1.146 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.219 9.717 1.954 1.00 0.00 C ATOM 460 CD2 PHE A 29 -5.232 8.449 0.206 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.062 8.972 1.828 1.00 0.00 C ATOM 462 CE2 PHE A 29 -4.077 7.701 0.077 1.00 0.00 C ATOM 463 CZ PHE A 29 -2.991 7.962 0.888 1.00 0.00 C ATOM 0 H PHE A 29 -8.560 11.394 2.236 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.909 11.025 3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.394 9.614 1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.822 10.713 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.269 10.505 2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.078 8.241 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.214 9.179 2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.024 6.912 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.088 7.378 0.788 1.00 0.00 H new ATOM 473 N VAL A 30 -4.994 12.341 0.646 1.00 0.00 N ATOM 474 CA VAL A 30 -4.229 13.393 -0.012 1.00 0.00 C ATOM 475 C VAL A 30 -4.910 14.746 0.142 1.00 0.00 C ATOM 476 O VAL A 30 -4.253 15.784 0.208 1.00 0.00 O ATOM 477 CB VAL A 30 -4.032 13.096 -1.510 1.00 0.00 C ATOM 478 CG1 VAL A 30 -2.555 13.121 -1.870 1.00 0.00 C ATOM 479 CG2 VAL A 30 -4.655 11.758 -1.875 1.00 0.00 C ATOM 0 H VAL A 30 -4.924 11.426 0.200 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.254 13.423 0.474 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.535 13.874 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.436 12.909 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.143 14.105 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.026 12.367 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.506 11.565 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.184 10.966 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.723 11.782 -1.657 1.00 0.00 H new ATOM 489 N LYS A 31 -6.232 14.719 0.197 1.00 0.00 N ATOM 490 CA LYS A 31 -7.022 15.936 0.342 1.00 0.00 C ATOM 491 C LYS A 31 -6.741 16.617 1.677 1.00 0.00 C ATOM 492 O LYS A 31 -6.475 17.818 1.728 1.00 0.00 O ATOM 493 CB LYS A 31 -8.514 15.616 0.224 1.00 0.00 C ATOM 494 CG LYS A 31 -8.908 15.039 -1.126 1.00 0.00 C ATOM 495 CD LYS A 31 -8.752 13.527 -1.152 1.00 0.00 C ATOM 496 CE LYS A 31 -7.605 13.101 -2.053 1.00 0.00 C ATOM 497 NZ LYS A 31 -7.342 14.099 -3.127 1.00 0.00 N ATOM 0 H LYS A 31 -6.785 13.864 0.143 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.737 16.619 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.788 14.908 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.087 16.526 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.942 15.303 -1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.291 15.483 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.577 13.161 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.679 13.070 -1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.704 12.966 -1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.836 12.136 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.813 13.646 -3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.245 14.462 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.783 14.886 -2.740 1.00 0.00 H new ATOM 511 N ASP A 32 -6.805 15.844 2.756 1.00 0.00 N ATOM 512 CA ASP A 32 -6.563 16.369 4.088 1.00 0.00 C ATOM 513 C ASP A 32 -5.076 16.340 4.426 1.00 0.00 C ATOM 514 O ASP A 32 -4.686 16.557 5.572 1.00 0.00 O ATOM 515 CB ASP A 32 -7.350 15.568 5.126 1.00 0.00 C ATOM 516 CG ASP A 32 -7.913 16.444 6.227 1.00 0.00 C ATOM 517 OD1 ASP A 32 -8.473 17.514 5.907 1.00 0.00 O ATOM 518 OD2 ASP A 32 -7.796 16.061 7.411 1.00 0.00 O ATOM 0 H ASP A 32 -7.024 14.848 2.730 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.900 17.406 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.166 15.041 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.701 14.810 5.565 1.00 0.00 H new ATOM 523 N LEU A 33 -4.253 16.068 3.417 1.00 0.00 N ATOM 524 CA LEU A 33 -2.807 16.006 3.596 1.00 0.00 C ATOM 525 C LEU A 33 -2.305 14.574 3.446 1.00 0.00 C ATOM 526 O LEU A 33 -1.415 14.136 4.174 1.00 0.00 O ATOM 527 CB LEU A 33 -2.410 16.554 4.969 1.00 0.00 C ATOM 528 CG LEU A 33 -2.818 18.005 5.229 1.00 0.00 C ATOM 529 CD1 LEU A 33 -2.848 18.292 6.722 1.00 0.00 C ATOM 530 CD2 LEU A 33 -1.868 18.960 4.521 1.00 0.00 C ATOM 0 H LEU A 33 -4.565 15.886 2.463 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.346 16.622 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.856 15.924 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.329 16.472 5.077 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.821 18.157 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.140 19.329 6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.567 17.631 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.858 18.122 7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.173 19.988 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.854 18.806 4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.895 18.771 3.448 1.00 0.00 H new ATOM 542 N GLY A 34 -2.885 13.849 2.494 1.00 0.00 N ATOM 543 CA GLY A 34 -2.487 12.473 2.264 1.00 0.00 C ATOM 544 C GLY A 34 -1.316 12.360 1.309 1.00 0.00 C ATOM 545 O GLY A 34 -0.737 13.366 0.902 1.00 0.00 O ATOM 0 H GLY A 34 -3.623 14.190 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.222 12.011 3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.334 11.915 1.863 1.00 0.00 H new ATOM 549 N LEU A 35 -0.967 11.128 0.949 1.00 0.00 N ATOM 550 CA LEU A 35 0.143 10.883 0.038 1.00 0.00 C ATOM 551 C LEU A 35 -0.165 11.425 -1.355 1.00 0.00 C ATOM 552 O LEU A 35 -1.191 11.091 -1.947 1.00 0.00 O ATOM 553 CB LEU A 35 0.440 9.385 -0.042 1.00 0.00 C ATOM 554 CG LEU A 35 1.361 8.848 1.055 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.232 9.685 2.317 1.00 0.00 C ATOM 556 CD2 LEU A 35 1.047 7.388 1.346 1.00 0.00 C ATOM 0 H LEU A 35 -1.438 10.284 1.275 1.00 0.00 H new ATOM 0 HA LEU A 35 1.020 11.403 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.503 8.840 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.891 9.171 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 35 2.391 8.915 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.894 9.288 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.507 10.717 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.202 9.651 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.711 7.022 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.012 7.297 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.192 6.797 0.441 1.00 0.00 H new ATOM 568 N ASN A 36 0.729 12.261 -1.871 1.00 0.00 N ATOM 569 CA ASN A 36 0.552 12.846 -3.194 1.00 0.00 C ATOM 570 C ASN A 36 0.550 11.764 -4.270 1.00 0.00 C ATOM 571 O ASN A 36 0.284 10.596 -3.987 1.00 0.00 O ATOM 572 CB ASN A 36 1.650 13.872 -3.473 1.00 0.00 C ATOM 573 CG ASN A 36 2.946 13.225 -3.903 1.00 0.00 C ATOM 574 OD1 ASN A 36 3.646 12.617 -3.094 1.00 0.00 O ATOM 575 ND2 ASN A 36 3.274 13.354 -5.181 1.00 0.00 N ATOM 0 H ASN A 36 1.583 12.548 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.413 13.352 -3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.314 14.558 -4.251 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.824 14.467 -2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.138 12.940 -5.530 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.662 13.867 -5.815 1.00 0.00 H new ATOM 582 N SER A 37 0.842 12.159 -5.504 1.00 0.00 N ATOM 583 CA SER A 37 0.868 11.219 -6.619 1.00 0.00 C ATOM 584 C SER A 37 1.962 10.178 -6.439 1.00 0.00 C ATOM 585 O SER A 37 1.691 8.981 -6.342 1.00 0.00 O ATOM 586 CB SER A 37 1.072 11.967 -7.938 1.00 0.00 C ATOM 587 OG SER A 37 -0.167 12.220 -8.579 1.00 0.00 O ATOM 0 H SER A 37 1.064 13.122 -5.758 1.00 0.00 H new ATOM 0 HA SER A 37 -0.092 10.703 -6.643 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.586 12.909 -7.749 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.713 11.381 -8.597 1.00 0.00 H new ATOM 592 N LEU A 38 3.197 10.648 -6.401 1.00 0.00 N ATOM 593 CA LEU A 38 4.348 9.769 -6.242 1.00 0.00 C ATOM 594 C LEU A 38 4.398 9.175 -4.837 1.00 0.00 C ATOM 595 O LEU A 38 5.159 8.244 -4.573 1.00 0.00 O ATOM 596 CB LEU A 38 5.640 10.530 -6.555 1.00 0.00 C ATOM 597 CG LEU A 38 6.295 11.251 -5.381 1.00 0.00 C ATOM 598 CD1 LEU A 38 6.849 12.596 -5.827 1.00 0.00 C ATOM 599 CD2 LEU A 38 5.315 11.435 -4.234 1.00 0.00 C ATOM 0 H LEU A 38 3.431 11.638 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 38 4.248 8.944 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.361 9.826 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.426 11.264 -7.332 1.00 0.00 H new ATOM 0 HG LEU A 38 7.119 10.633 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.313 13.098 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.593 12.442 -6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.038 13.213 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.810 11.952 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.464 12.025 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.967 10.460 -3.893 1.00 0.00 H new ATOM 611 N ASP A 39 3.579 9.715 -3.942 1.00 0.00 N ATOM 612 CA ASP A 39 3.526 9.236 -2.566 1.00 0.00 C ATOM 613 C ASP A 39 2.690 7.969 -2.473 1.00 0.00 C ATOM 614 O ASP A 39 3.203 6.891 -2.174 1.00 0.00 O ATOM 615 CB ASP A 39 2.948 10.314 -1.648 1.00 0.00 C ATOM 616 CG ASP A 39 4.009 11.273 -1.143 1.00 0.00 C ATOM 617 OD1 ASP A 39 5.207 10.926 -1.220 1.00 0.00 O ATOM 618 OD2 ASP A 39 3.642 12.370 -0.673 1.00 0.00 O ATOM 0 H ASP A 39 2.942 10.485 -4.145 1.00 0.00 H new ATOM 0 HA ASP A 39 4.542 9.008 -2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.183 10.874 -2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.457 9.839 -0.798 1.00 0.00 H new ATOM 623 N VAL A 40 1.403 8.112 -2.737 1.00 0.00 N ATOM 624 CA VAL A 40 0.482 6.986 -2.691 1.00 0.00 C ATOM 625 C VAL A 40 0.956 5.859 -3.602 1.00 0.00 C ATOM 626 O VAL A 40 0.744 4.682 -3.311 1.00 0.00 O ATOM 627 CB VAL A 40 -0.943 7.400 -3.103 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.233 6.977 -4.535 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.965 6.805 -2.146 1.00 0.00 C ATOM 0 H VAL A 40 0.969 9.001 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 40 0.461 6.637 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.016 8.486 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.245 7.279 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.520 7.454 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.143 5.894 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.967 7.107 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.892 5.718 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.769 7.164 -1.136 1.00 0.00 H new ATOM 639 N VAL A 41 1.600 6.226 -4.706 1.00 0.00 N ATOM 640 CA VAL A 41 2.105 5.244 -5.657 1.00 0.00 C ATOM 641 C VAL A 41 3.187 4.376 -5.024 1.00 0.00 C ATOM 642 O VAL A 41 3.071 3.150 -4.991 1.00 0.00 O ATOM 643 CB VAL A 41 2.679 5.919 -6.916 1.00 0.00 C ATOM 644 CG1 VAL A 41 3.079 4.874 -7.946 1.00 0.00 C ATOM 645 CG2 VAL A 41 1.674 6.899 -7.503 1.00 0.00 C ATOM 0 H VAL A 41 1.784 7.196 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 41 1.259 4.620 -5.944 1.00 0.00 H new ATOM 0 HB VAL A 41 3.571 6.477 -6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.483 5.369 -8.829 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.837 4.216 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.205 4.287 -8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.098 7.366 -8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.762 6.367 -7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.441 7.667 -6.765 1.00 0.00 H new ATOM 655 N GLU A 42 4.237 5.016 -4.523 1.00 0.00 N ATOM 656 CA GLU A 42 5.337 4.298 -3.892 1.00 0.00 C ATOM 657 C GLU A 42 4.829 3.416 -2.761 1.00 0.00 C ATOM 658 O GLU A 42 5.223 2.258 -2.632 1.00 0.00 O ATOM 659 CB GLU A 42 6.382 5.281 -3.361 1.00 0.00 C ATOM 660 CG GLU A 42 7.357 5.761 -4.425 1.00 0.00 C ATOM 661 CD GLU A 42 8.736 6.048 -3.865 1.00 0.00 C ATOM 662 OE1 GLU A 42 8.910 5.945 -2.632 1.00 0.00 O ATOM 663 OE2 GLU A 42 9.642 6.375 -4.659 1.00 0.00 O ATOM 0 H GLU A 42 4.350 6.030 -4.542 1.00 0.00 H new ATOM 0 HA GLU A 42 5.802 3.662 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.873 6.143 -2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.941 4.805 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.436 5.006 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.964 6.664 -4.892 1.00 0.00 H new ATOM 670 N VAL A 43 3.948 3.977 -1.948 1.00 0.00 N ATOM 671 CA VAL A 43 3.372 3.250 -0.825 1.00 0.00 C ATOM 672 C VAL A 43 2.594 2.037 -1.304 1.00 0.00 C ATOM 673 O VAL A 43 2.779 0.926 -0.807 1.00 0.00 O ATOM 674 CB VAL A 43 2.432 4.139 0.009 1.00 0.00 C ATOM 675 CG1 VAL A 43 1.730 5.158 -0.873 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.421 3.288 0.747 1.00 0.00 C ATOM 0 H VAL A 43 3.615 4.936 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 43 4.206 2.931 -0.200 1.00 0.00 H new ATOM 0 HB VAL A 43 3.031 4.680 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.071 5.775 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.472 5.791 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.143 4.640 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.763 3.930 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.829 2.721 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.942 2.599 1.412 1.00 0.00 H new ATOM 686 N VAL A 44 1.728 2.259 -2.279 1.00 0.00 N ATOM 687 CA VAL A 44 0.920 1.186 -2.839 1.00 0.00 C ATOM 688 C VAL A 44 1.817 0.083 -3.377 1.00 0.00 C ATOM 689 O VAL A 44 1.494 -1.101 -3.280 1.00 0.00 O ATOM 690 CB VAL A 44 0.003 1.692 -3.967 1.00 0.00 C ATOM 691 CG1 VAL A 44 -0.810 2.890 -3.500 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.818 2.040 -5.203 1.00 0.00 C ATOM 0 H VAL A 44 1.566 3.174 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 44 0.292 0.797 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.691 0.894 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.452 3.233 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.425 2.602 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.136 3.695 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.152 2.396 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.538 2.820 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.349 1.154 -5.550 1.00 0.00 H new ATOM 702 N PHE A 45 2.957 0.482 -3.930 1.00 0.00 N ATOM 703 CA PHE A 45 3.916 -0.469 -4.466 1.00 0.00 C ATOM 704 C PHE A 45 4.601 -1.209 -3.325 1.00 0.00 C ATOM 705 O PHE A 45 5.133 -2.305 -3.506 1.00 0.00 O ATOM 706 CB PHE A 45 4.954 0.249 -5.330 1.00 0.00 C ATOM 707 CG PHE A 45 4.386 0.803 -6.605 1.00 0.00 C ATOM 708 CD1 PHE A 45 3.354 0.148 -7.257 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.884 1.975 -7.152 1.00 0.00 C ATOM 710 CE1 PHE A 45 2.828 0.652 -8.432 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.362 2.484 -8.326 1.00 0.00 C ATOM 712 CZ PHE A 45 3.332 1.821 -8.967 1.00 0.00 C ATOM 0 H PHE A 45 3.237 1.459 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 45 3.387 -1.189 -5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.396 1.062 -4.754 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.759 -0.445 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.956 -0.767 -6.843 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.689 2.496 -6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.024 0.132 -8.931 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.758 3.398 -8.742 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.922 2.217 -9.885 1.00 0.00 H new ATOM 722 N ALA A 46 4.570 -0.599 -2.144 1.00 0.00 N ATOM 723 CA ALA A 46 5.172 -1.186 -0.961 1.00 0.00 C ATOM 724 C ALA A 46 4.282 -2.279 -0.391 1.00 0.00 C ATOM 725 O ALA A 46 4.632 -3.461 -0.403 1.00 0.00 O ATOM 726 CB ALA A 46 5.433 -0.113 0.087 1.00 0.00 C ATOM 0 H ALA A 46 4.130 0.307 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 46 6.124 -1.634 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.885 -0.568 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.110 0.637 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.492 0.361 0.365 1.00 0.00 H new ATOM 732 N ILE A 47 3.125 -1.869 0.102 1.00 0.00 N ATOM 733 CA ILE A 47 2.162 -2.798 0.675 1.00 0.00 C ATOM 734 C ILE A 47 1.800 -3.888 -0.325 1.00 0.00 C ATOM 735 O ILE A 47 1.754 -5.069 0.017 1.00 0.00 O ATOM 736 CB ILE A 47 0.877 -2.074 1.118 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.437 -1.071 0.049 1.00 0.00 C ATOM 738 CG2 ILE A 47 1.097 -1.378 2.453 1.00 0.00 C ATOM 739 CD1 ILE A 47 -0.227 0.165 0.611 1.00 0.00 C ATOM 0 H ILE A 47 2.828 -0.893 0.117 1.00 0.00 H new ATOM 0 HA ILE A 47 2.633 -3.248 1.549 1.00 0.00 H new ATOM 0 HB ILE A 47 0.084 -2.811 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.307 -0.771 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.253 -1.563 -0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.181 -0.870 2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.368 -2.116 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.901 -0.648 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.511 0.829 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.117 -0.123 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.467 0.682 1.274 1.00 0.00 H new ATOM 751 N GLU A 48 1.552 -3.485 -1.567 1.00 0.00 N ATOM 752 CA GLU A 48 1.202 -4.434 -2.615 1.00 0.00 C ATOM 753 C GLU A 48 2.273 -5.507 -2.731 1.00 0.00 C ATOM 754 O GLU A 48 1.977 -6.681 -2.958 1.00 0.00 O ATOM 755 CB GLU A 48 1.031 -3.711 -3.953 1.00 0.00 C ATOM 756 CG GLU A 48 0.797 -4.647 -5.126 1.00 0.00 C ATOM 757 CD GLU A 48 1.937 -5.625 -5.329 1.00 0.00 C ATOM 758 OE1 GLU A 48 3.101 -5.177 -5.394 1.00 0.00 O ATOM 759 OE2 GLU A 48 1.666 -6.841 -5.421 1.00 0.00 O ATOM 0 H GLU A 48 1.587 -2.512 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 48 0.257 -4.909 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.192 -3.020 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.921 -3.112 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.128 -5.201 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.662 -4.059 -6.034 1.00 0.00 H new ATOM 766 N GLN A 49 3.519 -5.092 -2.555 1.00 0.00 N ATOM 767 CA GLN A 49 4.647 -6.009 -2.622 1.00 0.00 C ATOM 768 C GLN A 49 4.471 -7.140 -1.616 1.00 0.00 C ATOM 769 O GLN A 49 4.542 -8.317 -1.971 1.00 0.00 O ATOM 770 CB GLN A 49 5.957 -5.267 -2.350 1.00 0.00 C ATOM 771 CG GLN A 49 6.544 -4.599 -3.582 1.00 0.00 C ATOM 772 CD GLN A 49 7.617 -3.583 -3.239 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.236 -3.652 -2.178 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.841 -2.633 -4.139 1.00 0.00 N ATOM 0 H GLN A 49 3.775 -4.123 -2.364 1.00 0.00 H new ATOM 0 HA GLN A 49 4.686 -6.432 -3.626 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.784 -4.511 -1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.686 -5.970 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.966 -5.361 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.747 -4.106 -4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.303 -2.615 -5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.551 -1.922 -3.964 1.00 0.00 H new ATOM 783 N GLU A 50 4.232 -6.776 -0.359 1.00 0.00 N ATOM 784 CA GLU A 50 4.038 -7.758 0.690 1.00 0.00 C ATOM 785 C GLU A 50 2.558 -7.905 1.032 1.00 0.00 C ATOM 786 O GLU A 50 2.197 -8.132 2.187 1.00 0.00 O ATOM 787 CB GLU A 50 4.829 -7.365 1.939 1.00 0.00 C ATOM 788 CG GLU A 50 4.439 -8.153 3.179 1.00 0.00 C ATOM 789 CD GLU A 50 4.222 -9.626 2.891 1.00 0.00 C ATOM 790 OE1 GLU A 50 3.396 -9.942 2.008 1.00 0.00 O ATOM 791 OE2 GLU A 50 4.877 -10.462 3.546 1.00 0.00 O ATOM 0 H GLU A 50 4.169 -5.807 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 50 4.404 -8.718 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.892 -7.510 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.682 -6.302 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.219 -8.045 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.527 -7.731 3.601 1.00 0.00 H new ATOM 798 N PHE A 51 1.710 -7.780 0.017 1.00 0.00 N ATOM 799 CA PHE A 51 0.274 -7.900 0.194 1.00 0.00 C ATOM 800 C PHE A 51 -0.321 -8.895 -0.801 1.00 0.00 C ATOM 801 O PHE A 51 -1.446 -9.363 -0.626 1.00 0.00 O ATOM 802 CB PHE A 51 -0.404 -6.538 0.031 1.00 0.00 C ATOM 803 CG PHE A 51 -0.537 -5.767 1.314 1.00 0.00 C ATOM 804 CD1 PHE A 51 0.008 -6.253 2.492 1.00 0.00 C ATOM 805 CD2 PHE A 51 -1.209 -4.555 1.339 1.00 0.00 C ATOM 806 CE1 PHE A 51 -0.114 -5.542 3.671 1.00 0.00 C ATOM 807 CE2 PHE A 51 -1.334 -3.841 2.515 1.00 0.00 C ATOM 808 CZ PHE A 51 -0.786 -4.335 3.682 1.00 0.00 C ATOM 0 H PHE A 51 1.999 -7.594 -0.943 1.00 0.00 H new ATOM 0 HA PHE A 51 0.094 -8.269 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.166 -5.942 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.395 -6.685 -0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.533 -7.197 2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.640 -4.164 0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.316 -5.930 4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.860 -2.898 2.522 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.883 -3.778 4.602 1.00 0.00 H new ATOM 818 N ILE A 52 0.438 -9.211 -1.848 1.00 0.00 N ATOM 819 CA ILE A 52 -0.022 -10.146 -2.870 1.00 0.00 C ATOM 820 C ILE A 52 -1.218 -9.583 -3.629 1.00 0.00 C ATOM 821 O ILE A 52 -2.078 -10.329 -4.098 1.00 0.00 O ATOM 822 CB ILE A 52 -0.411 -11.503 -2.255 1.00 0.00 C ATOM 823 CG1 ILE A 52 0.320 -11.715 -0.930 1.00 0.00 C ATOM 824 CG2 ILE A 52 -0.104 -12.633 -3.224 1.00 0.00 C ATOM 825 CD1 ILE A 52 -0.610 -11.896 0.249 1.00 0.00 C ATOM 0 H ILE A 52 1.372 -8.834 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 52 0.808 -10.294 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.483 -11.502 -2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.962 -12.592 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.970 -10.861 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.385 -13.585 -2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.669 -12.486 -4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.962 -12.639 -3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.023 -12.042 1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.235 -11.010 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.243 -12.768 0.083 1.00 0.00 H new ATOM 837 N LEU A 53 -1.262 -8.260 -3.747 1.00 0.00 N ATOM 838 CA LEU A 53 -2.347 -7.588 -4.452 1.00 0.00 C ATOM 839 C LEU A 53 -2.067 -6.093 -4.567 1.00 0.00 C ATOM 840 O LEU A 53 -1.656 -5.454 -3.600 1.00 0.00 O ATOM 841 CB LEU A 53 -3.675 -7.819 -3.730 1.00 0.00 C ATOM 842 CG LEU A 53 -4.276 -6.577 -3.069 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.251 -5.889 -4.011 1.00 0.00 C ATOM 844 CD2 LEU A 53 -4.965 -6.950 -1.765 1.00 0.00 C ATOM 0 H LEU A 53 -0.557 -7.631 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.415 -8.008 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.396 -8.216 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.528 -8.583 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.468 -5.881 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.668 -5.008 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.729 -5.588 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.056 -6.577 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.387 -6.055 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.762 -7.665 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.240 -7.397 -1.085 1.00 0.00 H new ATOM 856 N ASP A 54 -2.287 -5.544 -5.757 1.00 0.00 N ATOM 857 CA ASP A 54 -2.053 -4.131 -5.997 1.00 0.00 C ATOM 858 C ASP A 54 -3.322 -3.315 -5.775 1.00 0.00 C ATOM 859 O ASP A 54 -4.423 -3.758 -6.100 1.00 0.00 O ATOM 860 CB ASP A 54 -1.535 -3.914 -7.421 1.00 0.00 C ATOM 861 CG ASP A 54 -1.529 -5.193 -8.235 1.00 0.00 C ATOM 862 OD1 ASP A 54 -2.376 -6.071 -7.968 1.00 0.00 O ATOM 863 OD2 ASP A 54 -0.676 -5.315 -9.140 1.00 0.00 O ATOM 0 H ASP A 54 -2.627 -6.059 -6.569 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.301 -3.791 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.156 -3.171 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.524 -3.508 -7.379 1.00 0.00 H new ATOM 868 N ILE A 55 -3.157 -2.120 -5.217 1.00 0.00 N ATOM 869 CA ILE A 55 -4.282 -1.239 -4.950 1.00 0.00 C ATOM 870 C ILE A 55 -4.408 -0.148 -6.013 1.00 0.00 C ATOM 871 O ILE A 55 -5.464 0.469 -6.153 1.00 0.00 O ATOM 872 CB ILE A 55 -4.159 -0.577 -3.564 1.00 0.00 C ATOM 873 CG1 ILE A 55 -5.506 0.007 -3.133 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.089 0.505 -3.587 1.00 0.00 C ATOM 875 CD1 ILE A 55 -5.380 1.261 -2.296 1.00 0.00 C ATOM 0 H ILE A 55 -2.251 -1.741 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.176 -1.862 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.865 -1.336 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.097 0.230 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.054 -0.745 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.014 0.963 -2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.130 0.062 -3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.356 1.265 -4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.373 1.620 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.816 1.039 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.860 2.029 -2.868 1.00 0.00 H new ATOM 887 N PRO A 56 -3.330 0.110 -6.775 1.00 0.00 N ATOM 888 CA PRO A 56 -3.328 1.133 -7.823 1.00 0.00 C ATOM 889 C PRO A 56 -4.596 1.109 -8.668 1.00 0.00 C ATOM 890 O PRO A 56 -5.602 0.514 -8.284 1.00 0.00 O ATOM 891 CB PRO A 56 -2.114 0.755 -8.669 1.00 0.00 C ATOM 892 CG PRO A 56 -1.174 0.113 -7.708 1.00 0.00 C ATOM 893 CD PRO A 56 -2.027 -0.576 -6.673 1.00 0.00 C ATOM 0 HA PRO A 56 -3.288 2.141 -7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.388 0.072 -9.473 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.667 1.633 -9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.527 -0.602 -8.216 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.525 0.856 -7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.120 -1.643 -6.877 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.601 -0.478 -5.674 1.00 0.00 H new ATOM 901 N ASP A 57 -4.541 1.765 -9.824 1.00 0.00 N ATOM 902 CA ASP A 57 -5.684 1.822 -10.725 1.00 0.00 C ATOM 903 C ASP A 57 -6.843 2.573 -10.080 1.00 0.00 C ATOM 904 O ASP A 57 -6.743 3.028 -8.940 1.00 0.00 O ATOM 905 CB ASP A 57 -6.128 0.410 -11.112 1.00 0.00 C ATOM 906 CG ASP A 57 -5.017 -0.386 -11.770 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.860 -0.282 -11.309 1.00 0.00 O ATOM 908 OD2 ASP A 57 -5.304 -1.111 -12.745 1.00 0.00 O ATOM 0 H ASP A 57 -3.716 2.264 -10.157 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.381 2.357 -11.625 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.470 -0.117 -10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.978 0.473 -11.792 1.00 0.00 H new ATOM 913 N HIS A 58 -7.944 2.700 -10.814 1.00 0.00 N ATOM 914 CA HIS A 58 -9.121 3.396 -10.310 1.00 0.00 C ATOM 915 C HIS A 58 -9.499 2.891 -8.921 1.00 0.00 C ATOM 916 O HIS A 58 -10.279 3.525 -8.211 1.00 0.00 O ATOM 917 CB HIS A 58 -10.298 3.213 -11.270 1.00 0.00 C ATOM 918 CG HIS A 58 -10.574 1.783 -11.612 1.00 0.00 C ATOM 919 ND1 HIS A 58 -11.835 1.306 -11.900 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.740 0.719 -11.715 1.00 0.00 C ATOM 921 CE1 HIS A 58 -11.767 0.013 -12.162 1.00 0.00 C ATOM 922 NE2 HIS A 58 -10.507 -0.367 -12.058 1.00 0.00 N ATOM 0 H HIS A 58 -8.045 2.330 -11.759 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.882 4.457 -10.238 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.191 3.650 -10.824 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.097 3.765 -12.188 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.672 0.725 -11.557 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.600 -0.625 -12.418 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -10.159 -1.314 -12.208 1.00 0.00 H new ATOM 931 N ASP A 59 -8.943 1.744 -8.543 1.00 0.00 N ATOM 932 CA ASP A 59 -9.223 1.153 -7.242 1.00 0.00 C ATOM 933 C ASP A 59 -8.622 1.989 -6.117 1.00 0.00 C ATOM 934 O ASP A 59 -9.275 2.248 -5.106 1.00 0.00 O ATOM 935 CB ASP A 59 -8.676 -0.275 -7.180 1.00 0.00 C ATOM 936 CG ASP A 59 -8.677 -0.954 -8.535 1.00 0.00 C ATOM 937 OD1 ASP A 59 -8.271 -0.308 -9.524 1.00 0.00 O ATOM 938 OD2 ASP A 59 -9.084 -2.132 -8.608 1.00 0.00 O ATOM 0 H ASP A 59 -8.296 1.207 -9.120 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.305 1.129 -7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.659 -0.255 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.275 -0.861 -6.483 1.00 0.00 H new ATOM 943 N ALA A 60 -7.373 2.409 -6.297 1.00 0.00 N ATOM 944 CA ALA A 60 -6.686 3.213 -5.297 1.00 0.00 C ATOM 945 C ALA A 60 -7.080 4.680 -5.404 1.00 0.00 C ATOM 946 O ALA A 60 -7.079 5.409 -4.412 1.00 0.00 O ATOM 947 CB ALA A 60 -5.179 3.057 -5.435 1.00 0.00 C ATOM 0 H ALA A 60 -6.817 2.204 -7.128 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.988 2.855 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.680 3.664 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.907 2.011 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.869 3.384 -6.427 1.00 0.00 H new ATOM 953 N GLU A 61 -7.415 5.104 -6.614 1.00 0.00 N ATOM 954 CA GLU A 61 -7.811 6.483 -6.861 1.00 0.00 C ATOM 955 C GLU A 61 -9.243 6.732 -6.398 1.00 0.00 C ATOM 956 O GLU A 61 -9.592 7.842 -5.997 1.00 0.00 O ATOM 957 CB GLU A 61 -7.679 6.816 -8.349 1.00 0.00 C ATOM 958 CG GLU A 61 -8.957 6.586 -9.139 1.00 0.00 C ATOM 959 CD GLU A 61 -8.751 6.731 -10.634 1.00 0.00 C ATOM 960 OE1 GLU A 61 -7.910 5.996 -11.192 1.00 0.00 O ATOM 961 OE2 GLU A 61 -9.431 7.581 -11.247 1.00 0.00 O ATOM 0 H GLU A 61 -7.420 4.510 -7.443 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.147 7.131 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.379 7.859 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.882 6.210 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.339 5.588 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.716 7.296 -8.810 1.00 0.00 H new ATOM 968 N LYS A 62 -10.068 5.692 -6.458 1.00 0.00 N ATOM 969 CA LYS A 62 -11.461 5.796 -6.048 1.00 0.00 C ATOM 970 C LYS A 62 -11.581 5.889 -4.530 1.00 0.00 C ATOM 971 O LYS A 62 -12.680 6.017 -3.992 1.00 0.00 O ATOM 972 CB LYS A 62 -12.256 4.594 -6.561 1.00 0.00 C ATOM 973 CG LYS A 62 -12.992 4.861 -7.863 1.00 0.00 C ATOM 974 CD LYS A 62 -13.637 6.237 -7.865 1.00 0.00 C ATOM 975 CE LYS A 62 -12.828 7.230 -8.684 1.00 0.00 C ATOM 976 NZ LYS A 62 -13.151 7.149 -10.135 1.00 0.00 N ATOM 0 H LYS A 62 -9.794 4.766 -6.787 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.872 6.708 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.576 3.754 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.977 4.295 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.296 4.783 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.757 4.099 -8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.646 6.166 -8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.729 6.598 -6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.023 8.240 -8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.765 7.040 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.578 7.842 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.941 6.192 -10.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.160 7.356 -10.278 1.00 0.00 H new ATOM 990 N ILE A 63 -10.444 5.825 -3.846 1.00 0.00 N ATOM 991 CA ILE A 63 -10.423 5.901 -2.395 1.00 0.00 C ATOM 992 C ILE A 63 -9.881 7.246 -1.921 1.00 0.00 C ATOM 993 O ILE A 63 -8.758 7.625 -2.249 1.00 0.00 O ATOM 994 CB ILE A 63 -9.571 4.773 -1.783 1.00 0.00 C ATOM 995 CG1 ILE A 63 -10.224 4.247 -0.505 1.00 0.00 C ATOM 996 CG2 ILE A 63 -8.161 5.268 -1.500 1.00 0.00 C ATOM 997 CD1 ILE A 63 -10.352 2.739 -0.467 1.00 0.00 C ATOM 0 H ILE A 63 -9.525 5.721 -4.276 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.454 5.789 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.510 3.954 -2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.639 4.575 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -11.215 4.690 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.571 4.459 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.698 5.598 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.202 6.102 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.824 2.437 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.962 2.404 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.362 2.288 -0.536 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.690 7.962 -1.146 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.299 9.258 -0.626 1.00 0.00 C ATOM 1011 C GLN A 64 -10.260 9.246 0.899 1.00 0.00 C ATOM 1012 O GLN A 64 -9.750 10.176 1.524 1.00 0.00 O ATOM 1013 CB GLN A 64 -11.258 10.342 -1.119 1.00 0.00 C ATOM 1014 CG GLN A 64 -11.431 10.363 -2.629 1.00 0.00 C ATOM 1015 CD GLN A 64 -12.730 9.721 -3.076 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -13.683 10.410 -3.440 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -12.775 8.394 -3.048 1.00 0.00 N ATOM 0 H GLN A 64 -11.623 7.661 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.297 9.480 -0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.232 10.193 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.893 11.315 -0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.400 11.394 -2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.594 9.843 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.961 7.863 -2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.623 7.906 -3.336 1.00 0.00 H new ATOM 1026 N SER A 65 -10.804 8.188 1.491 1.00 0.00 N ATOM 1027 CA SER A 65 -10.833 8.056 2.943 1.00 0.00 C ATOM 1028 C SER A 65 -9.671 7.203 3.438 1.00 0.00 C ATOM 1029 O SER A 65 -9.337 6.179 2.841 1.00 0.00 O ATOM 1030 CB SER A 65 -12.160 7.442 3.394 1.00 0.00 C ATOM 1031 OG SER A 65 -13.091 7.397 2.326 1.00 0.00 O ATOM 0 H SER A 65 -11.231 7.410 0.988 1.00 0.00 H new ATOM 0 HA SER A 65 -10.736 9.053 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.988 6.435 3.773 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.573 8.026 4.216 1.00 0.00 H new ATOM 0 HG SER A 65 -13.930 6.999 2.640 1.00 0.00 H new ATOM 1037 N ILE A 66 -9.061 7.636 4.534 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.936 6.923 5.120 1.00 0.00 C ATOM 1039 C ILE A 66 -8.359 5.553 5.639 1.00 0.00 C ATOM 1040 O ILE A 66 -7.694 4.547 5.384 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.309 7.728 6.273 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.864 9.154 6.282 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.793 7.742 6.148 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -7.698 9.874 4.962 1.00 0.00 C ATOM 0 H ILE A 66 -9.329 8.482 5.036 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.196 6.791 4.330 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.568 7.249 7.217 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -8.923 9.122 6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.364 9.725 7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.365 8.315 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.416 6.720 6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.510 8.201 5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -8.113 10.879 5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.639 9.938 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.222 9.325 4.180 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.478 5.496 6.376 1.00 0.00 N ATOM 1057 CA PRO A 67 -9.996 4.242 6.935 1.00 0.00 C ATOM 1058 C PRO A 67 -10.450 3.272 5.850 1.00 0.00 C ATOM 1059 O PRO A 67 -10.289 2.059 5.984 1.00 0.00 O ATOM 1060 CB PRO A 67 -11.188 4.691 7.787 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.591 6.007 7.219 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.327 6.649 6.722 1.00 0.00 C ATOM 0 HA PRO A 67 -9.235 3.704 7.500 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.005 3.971 7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.911 4.782 8.837 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.308 5.879 6.408 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.072 6.627 7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.512 7.287 5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.865 7.274 7.486 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.017 3.813 4.777 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.491 2.993 3.671 1.00 0.00 C ATOM 1072 C ASP A 68 -10.330 2.279 2.990 1.00 0.00 C ATOM 1073 O ASP A 68 -10.496 1.199 2.422 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.245 3.854 2.655 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.741 3.608 2.687 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -14.225 3.020 3.676 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.428 4.006 1.723 1.00 0.00 O ATOM 0 H ASP A 68 -11.159 4.815 4.651 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.171 2.242 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.048 4.907 2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.866 3.646 1.654 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.156 2.891 3.054 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.962 2.323 2.448 1.00 0.00 C ATOM 1084 C ALA A 69 -7.474 1.111 3.229 1.00 0.00 C ATOM 1085 O ALA A 69 -7.407 0.000 2.703 1.00 0.00 O ATOM 1086 CB ALA A 69 -6.864 3.373 2.360 1.00 0.00 C ATOM 0 H ALA A 69 -9.006 3.785 3.522 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.218 1.995 1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.976 2.934 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.208 4.209 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.620 3.729 3.361 1.00 0.00 H new ATOM 1092 N VAL A 70 -7.138 1.341 4.487 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.654 0.277 5.358 1.00 0.00 C ATOM 1094 C VAL A 70 -7.745 -0.752 5.620 1.00 0.00 C ATOM 1095 O VAL A 70 -7.463 -1.888 6.003 1.00 0.00 O ATOM 1096 CB VAL A 70 -6.155 0.836 6.703 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -7.324 1.109 7.636 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -5.165 -0.126 7.345 1.00 0.00 C ATOM 0 H VAL A 70 -7.191 2.257 4.932 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.821 -0.202 4.843 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.643 1.780 6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.951 1.503 8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.993 1.837 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.868 0.182 7.819 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.822 0.285 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.651 -1.086 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.312 -0.266 6.682 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.992 -0.347 5.410 1.00 0.00 N ATOM 1109 CA GLU A 71 -10.130 -1.230 5.620 1.00 0.00 C ATOM 1110 C GLU A 71 -10.115 -2.380 4.618 1.00 0.00 C ATOM 1111 O GLU A 71 -10.234 -3.546 4.995 1.00 0.00 O ATOM 1112 CB GLU A 71 -11.440 -0.449 5.499 1.00 0.00 C ATOM 1113 CG GLU A 71 -12.018 -0.021 6.838 1.00 0.00 C ATOM 1114 CD GLU A 71 -12.164 -1.178 7.807 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -11.163 -1.532 8.465 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -13.280 -1.732 7.906 1.00 0.00 O ATOM 0 H GLU A 71 -9.240 0.590 5.093 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.056 -1.645 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.270 0.436 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.173 -1.063 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.375 0.740 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.993 0.439 6.678 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.967 -2.042 3.342 1.00 0.00 N ATOM 1124 CA TYR A 72 -9.936 -3.046 2.285 1.00 0.00 C ATOM 1125 C TYR A 72 -8.743 -3.975 2.456 1.00 0.00 C ATOM 1126 O TYR A 72 -8.870 -5.196 2.362 1.00 0.00 O ATOM 1127 CB TYR A 72 -9.883 -2.374 0.912 1.00 0.00 C ATOM 1128 CG TYR A 72 -8.503 -2.369 0.294 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -7.888 -3.554 -0.090 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -7.815 -1.179 0.092 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -6.628 -3.555 -0.656 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -6.554 -1.171 -0.474 1.00 0.00 C ATOM 1133 CZ TYR A 72 -5.966 -2.360 -0.845 1.00 0.00 C ATOM 1134 OH TYR A 72 -4.709 -2.356 -1.409 1.00 0.00 O ATOM 0 H TYR A 72 -9.867 -1.081 3.015 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.849 -3.638 2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -10.571 -2.886 0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.234 -1.346 1.006 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.404 -4.491 0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.273 -0.245 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.164 -4.485 -0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.032 -0.237 -0.625 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.675 -3.012 -2.136 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.586 -3.383 2.712 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.360 -4.147 2.900 1.00 0.00 C ATOM 1146 C ILE A 73 -6.454 -5.043 4.128 1.00 0.00 C ATOM 1147 O ILE A 73 -5.917 -6.149 4.150 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.139 -3.228 3.040 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.042 -2.283 1.841 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -3.868 -4.052 3.181 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.582 -0.889 2.208 1.00 0.00 C ATOM 0 H ILE A 73 -7.470 -2.373 2.795 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.235 -4.766 2.011 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.258 -2.626 3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.351 -2.705 1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.017 -2.220 1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.011 -3.385 3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.940 -4.683 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.741 -4.679 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.536 -0.273 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.285 -0.448 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.593 -0.940 2.664 1.00 0.00 H new ATOM 1163 N ALA A 74 -7.142 -4.556 5.148 1.00 0.00 N ATOM 1164 CA ALA A 74 -7.312 -5.312 6.378 1.00 0.00 C ATOM 1165 C ALA A 74 -8.127 -6.571 6.129 1.00 0.00 C ATOM 1166 O ALA A 74 -7.741 -7.670 6.526 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.973 -4.451 7.443 1.00 0.00 C ATOM 0 H ALA A 74 -7.592 -3.641 5.148 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.326 -5.610 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.093 -5.032 8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.350 -3.580 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.951 -4.123 7.090 1.00 0.00 H new ATOM 1173 N GLN A 75 -9.253 -6.399 5.458 1.00 0.00 N ATOM 1174 CA GLN A 75 -10.135 -7.510 5.146 1.00 0.00 C ATOM 1175 C GLN A 75 -9.605 -8.297 3.960 1.00 0.00 C ATOM 1176 O GLN A 75 -8.941 -9.319 4.127 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.547 -7.003 4.849 1.00 0.00 C ATOM 1178 CG GLN A 75 -12.455 -6.985 6.067 1.00 0.00 C ATOM 1179 CD GLN A 75 -11.960 -6.052 7.148 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -12.242 -6.244 8.331 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -11.218 -5.035 6.744 1.00 0.00 N ATOM 0 H GLN A 75 -9.579 -5.495 5.117 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.173 -8.169 6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.483 -5.995 4.439 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.996 -7.632 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.458 -6.684 5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.534 -7.994 6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.011 -4.917 5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.853 -4.368 7.424 1.00 0.00 H new ATOM 1190 N ASN A 76 -9.896 -7.816 2.765 1.00 0.00 N ATOM 1191 CA ASN A 76 -9.438 -8.479 1.554 1.00 0.00 C ATOM 1192 C ASN A 76 -8.183 -9.299 1.845 1.00 0.00 C ATOM 1193 O ASN A 76 -8.228 -10.529 1.871 1.00 0.00 O ATOM 1194 CB ASN A 76 -9.162 -7.453 0.453 1.00 0.00 C ATOM 1195 CG ASN A 76 -10.330 -7.297 -0.500 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -10.805 -8.271 -1.084 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -10.800 -6.066 -0.663 1.00 0.00 N ATOM 0 H ASN A 76 -10.445 -6.972 2.605 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.223 -9.152 1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.937 -6.488 0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.277 -7.755 -0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.585 -5.899 -1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.376 -5.287 -0.159 1.00 0.00 H new ATOM 1204 N PRO A 77 -7.042 -8.625 2.072 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.773 -9.301 2.366 1.00 0.00 C ATOM 1206 C PRO A 77 -5.877 -10.257 3.553 1.00 0.00 C ATOM 1207 O PRO A 77 -5.243 -11.312 3.563 1.00 0.00 O ATOM 1208 CB PRO A 77 -4.820 -8.147 2.690 1.00 0.00 C ATOM 1209 CG PRO A 77 -5.405 -6.972 1.988 1.00 0.00 C ATOM 1210 CD PRO A 77 -6.895 -7.160 2.058 1.00 0.00 C ATOM 0 HA PRO A 77 -5.445 -9.923 1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.755 -7.976 3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.809 -8.356 2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.105 -6.040 2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.064 -6.924 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.318 -6.703 2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.399 -6.712 1.202 1.00 0.00 H new ATOM 1218 N MET A 78 -6.679 -9.893 4.556 1.00 0.00 N ATOM 1219 CA MET A 78 -6.847 -10.738 5.731 1.00 0.00 C ATOM 1220 C MET A 78 -7.570 -12.033 5.371 1.00 0.00 C ATOM 1221 O MET A 78 -7.511 -13.016 6.109 1.00 0.00 O ATOM 1222 CB MET A 78 -7.624 -9.997 6.819 1.00 0.00 C ATOM 1223 CG MET A 78 -8.185 -10.910 7.897 1.00 0.00 C ATOM 1224 SD MET A 78 -9.645 -10.222 8.701 1.00 0.00 S ATOM 1225 CE MET A 78 -10.934 -10.769 7.585 1.00 0.00 C ATOM 0 H MET A 78 -7.216 -9.026 4.575 1.00 0.00 H new ATOM 0 HA MET A 78 -5.855 -10.985 6.109 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.969 -9.260 7.284 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.444 -9.447 6.357 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.439 -11.874 7.455 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.416 -11.096 8.647 1.00 0.00 H new ATOM 0 HE1 MET A 78 -11.901 -10.421 7.948 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.751 -10.362 6.591 1.00 0.00 H new ATOM 0 HE3 MET A 78 -10.935 -11.858 7.537 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.256 -12.023 4.232 1.00 0.00 N ATOM 1236 CA ALA A 79 -8.992 -13.188 3.774 1.00 0.00 C ATOM 1237 C ALA A 79 -8.092 -14.141 2.999 1.00 0.00 C ATOM 1238 O ALA A 79 -8.261 -15.359 3.056 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.176 -12.763 2.919 1.00 0.00 C ATOM 0 H ALA A 79 -8.315 -11.217 3.610 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.363 -13.717 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.718 -13.647 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.841 -12.131 3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.818 -12.206 2.053 1.00 0.00 H new ATOM 1245 N LYS A 80 -7.138 -13.575 2.274 1.00 0.00 N ATOM 1246 CA LYS A 80 -6.205 -14.368 1.483 1.00 0.00 C ATOM 1247 C LYS A 80 -5.362 -15.271 2.377 1.00 0.00 C ATOM 1248 O LYS A 80 -5.069 -14.863 3.521 1.00 0.00 O ATOM 1249 CB LYS A 80 -5.296 -13.454 0.659 1.00 0.00 C ATOM 1250 CG LYS A 80 -4.725 -12.289 1.452 1.00 0.00 C ATOM 1251 CD LYS A 80 -3.598 -11.601 0.698 1.00 0.00 C ATOM 1252 CE LYS A 80 -3.012 -10.453 1.503 1.00 0.00 C ATOM 1253 NZ LYS A 80 -1.779 -10.859 2.234 1.00 0.00 N ATOM 1254 OXT LYS A 80 -5.002 -16.379 1.926 1.00 0.00 O ATOM 0 H LYS A 80 -6.989 -12.568 2.216 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.785 -14.997 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.474 -14.043 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.859 -13.064 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.516 -11.569 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.356 -12.648 2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.815 -12.325 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.972 -11.226 -0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.781 -9.622 0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.754 -10.093 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.864 -10.588 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.657 -11.889 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.955 -10.383 1.815 1.00 0.00 H new TER 1268 LYS A 80 HETATM 1269 P24 PNS A 101 -0.039 13.538 -9.493 1.00 0.00 P HETATM 1270 O25 PNS A 101 -1.070 14.659 -8.968 1.00 0.00 O HETATM 1271 O26 PNS A 101 -0.383 13.166 -11.021 1.00 0.00 O HETATM 1272 O27 PNS A 101 1.464 14.109 -9.405 1.00 0.00 O HETATM 1273 C28 PNS A 101 2.042 14.133 -10.711 1.00 0.00 C HETATM 1274 C29 PNS A 101 3.511 13.765 -10.630 1.00 0.00 C HETATM 1275 C30 PNS A 101 4.242 14.797 -9.811 1.00 0.00 C HETATM 1276 C31 PNS A 101 3.655 12.414 -9.979 1.00 0.00 C HETATM 1277 C32 PNS A 101 4.100 13.719 -12.032 1.00 0.00 C HETATM 1278 O33 PNS A 101 4.079 14.966 -12.718 1.00 0.00 O HETATM 1279 C34 PNS A 101 5.166 12.710 -12.355 1.00 0.00 C HETATM 1280 O35 PNS A 101 5.368 12.354 -13.517 1.00 0.00 O HETATM 1281 N36 PNS A 101 6.127 12.771 -11.440 1.00 0.00 N HETATM 1282 C37 PNS A 101 7.546 12.614 -11.745 1.00 0.00 C HETATM 1283 C38 PNS A 101 8.144 13.878 -12.342 1.00 0.00 C HETATM 1284 C39 PNS A 101 7.650 14.147 -13.750 1.00 0.00 C HETATM 1285 O40 PNS A 101 7.864 13.345 -14.659 1.00 0.00 O HETATM 1286 N41 PNS A 101 6.565 14.914 -13.700 1.00 0.00 N HETATM 1287 C42 PNS A 101 6.583 16.355 -13.929 1.00 0.00 C HETATM 1288 C43 PNS A 101 7.264 17.105 -12.796 1.00 0.00 C HETATM 1289 S44 PNS A 101 9.064 16.978 -12.920 1.00 0.00 S HETATM 0 H432 PNS A 101 6.968 18.154 -12.820 1.00 0.00 H new HETATM 0 H431 PNS A 101 6.933 16.702 -11.839 1.00 0.00 H new HETATM 0 H422 PNS A 101 5.561 16.717 -14.040 1.00 0.00 H new HETATM 0 H421 PNS A 101 7.099 16.566 -14.865 1.00 0.00 H new HETATM 0 H382 PNS A 101 9.231 13.792 -12.352 1.00 0.00 H new HETATM 0 H381 PNS A 101 7.897 14.728 -11.706 1.00 0.00 H new HETATM 0 H372 PNS A 101 7.677 11.787 -12.442 1.00 0.00 H new HETATM 0 H371 PNS A 101 8.086 12.353 -10.835 1.00 0.00 H new HETATM 0 H313 PNS A 101 4.711 12.149 -9.921 1.00 0.00 H new HETATM 0 H312 PNS A 101 3.126 11.667 -10.570 1.00 0.00 H new HETATM 0 H311 PNS A 101 3.233 12.447 -8.975 1.00 0.00 H new HETATM 0 H303 PNS A 101 5.298 14.533 -9.752 1.00 0.00 H new HETATM 0 H302 PNS A 101 3.820 14.830 -8.807 1.00 0.00 H new HETATM 0 H301 PNS A 101 4.138 15.775 -10.281 1.00 0.00 H new HETATM 0 H282 PNS A 101 1.930 15.124 -11.150 1.00 0.00 H new HETATM 0 H281 PNS A 101 1.518 13.434 -11.363 1.00 0.00 H new HETATM 0 H44 PNS A 101 9.614 17.631 -11.939 1.00 0.00 H new HETATM 0 H41 PNS A 101 5.671 14.471 -13.490 1.00 0.00 H new HETATM 0 H36 PNS A 101 5.858 12.937 -10.470 1.00 0.00 H new HETATM 0 H33 PNS A 101 3.830 14.820 -13.655 1.00 0.00 H new HETATM 0 H32 PNS A 101 3.351 13.147 -12.579 1.00 0.00 H new