USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ 170:sc= 0.67 (180deg=-0.158) USER MOD Set 1.2: A 79 ASN : amide:sc= 1.18 K(o=1.8,f=-5.3!) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.156 X(o=0.16,f=0) USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.144 (180deg=-0.566) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0323 (180deg=-0.219) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 1.26 USER MOD Single : A 4 THR OG1 : rot -120:sc= -0.142 USER MOD Single : A 10 THR OG1 : rot 78:sc= 0.717 USER MOD Single : A 15 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 16 CYS SG : rot -61:sc= -3.57! USER MOD Single : A 22 THR OG1 : rot -24:sc= 1.19 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.847 USER MOD Single : A 27 SER OG : rot 98:sc= 0.347 USER MOD Single : A 28 HIS : no HD1:sc= -2.94 K(o=-2.9,f=-10!) USER MOD Single : A 49 LYS NZ :NH3+ 127:sc= -0.749 (180deg=-0.801) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= -0.0044 (180deg=-0.173) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 73:sc= 1.08 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.273 F(o=-1!,f=-0.27) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 0.721 (180deg=0.319) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 91 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0101) USER MOD Single : A 96 HIS : no HD1:sc=-0.00485 X(o=-0.0048,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.00037) USER MOD Single : A 98 HIS : no HD1:sc= -0.0402 K(o=-0.04,f=-1.8) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 PNS O33 : rot 111:sc= 0.123 USER MOD Single : A 102 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.389 4.438 -1.324 1.00 0.00 N ATOM 2 CA MET A 1 -17.522 4.590 -2.517 1.00 0.00 C ATOM 3 C MET A 1 -16.136 5.071 -2.066 1.00 0.00 C ATOM 4 O MET A 1 -15.921 6.278 -1.898 1.00 0.00 O ATOM 5 CB MET A 1 -18.149 5.597 -3.522 1.00 0.00 C ATOM 6 CG MET A 1 -19.586 5.274 -3.946 1.00 0.00 C ATOM 7 SD MET A 1 -20.287 6.516 -5.048 1.00 0.00 S ATOM 8 CE MET A 1 -20.241 8.006 -4.038 1.00 0.00 C ATOM 0 H1 MET A 1 -19.247 3.910 -1.583 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.874 3.920 -0.584 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.656 5.378 -0.967 1.00 0.00 H new ATOM 0 HA MET A 1 -17.427 3.629 -3.023 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.132 6.591 -3.076 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.523 5.636 -4.413 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.604 4.304 -4.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.211 5.189 -3.057 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.943 8.738 -4.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.517 7.759 -3.013 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.234 8.424 -4.052 1.00 0.00 H new ATOM 20 N THR A 2 -15.215 4.124 -1.824 1.00 0.00 N ATOM 21 CA THR A 2 -13.863 4.426 -1.321 1.00 0.00 C ATOM 22 C THR A 2 -12.875 3.349 -1.795 1.00 0.00 C ATOM 23 O THR A 2 -12.987 2.184 -1.394 1.00 0.00 O ATOM 24 CB THR A 2 -13.854 4.482 0.252 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.863 5.392 0.729 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.491 4.913 0.817 1.00 0.00 C ATOM 0 H THR A 2 -15.385 3.129 -1.971 1.00 0.00 H new ATOM 0 HA THR A 2 -13.563 5.398 -1.712 1.00 0.00 H new ATOM 0 HB THR A 2 -14.062 3.470 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.846 5.415 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.539 4.935 1.906 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.726 4.204 0.502 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.240 5.906 0.444 1.00 0.00 H new ATOM 34 N SER A 3 -11.922 3.728 -2.669 1.00 0.00 N ATOM 35 CA SER A 3 -10.823 2.828 -3.081 1.00 0.00 C ATOM 36 C SER A 3 -9.638 2.981 -2.103 1.00 0.00 C ATOM 37 O SER A 3 -9.709 3.765 -1.137 1.00 0.00 O ATOM 38 CB SER A 3 -10.369 3.129 -4.537 1.00 0.00 C ATOM 39 OG SER A 3 -9.646 4.346 -4.637 1.00 0.00 O ATOM 0 H SER A 3 -11.890 4.650 -3.104 1.00 0.00 H new ATOM 0 HA SER A 3 -11.184 1.800 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.747 2.309 -4.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.244 3.175 -5.185 1.00 0.00 H new ATOM 0 HG SER A 3 -10.197 5.083 -4.300 1.00 0.00 H new ATOM 45 N THR A 4 -8.557 2.232 -2.359 1.00 0.00 N ATOM 46 CA THR A 4 -7.305 2.341 -1.598 1.00 0.00 C ATOM 47 C THR A 4 -6.697 3.748 -1.757 1.00 0.00 C ATOM 48 O THR A 4 -6.196 4.315 -0.785 1.00 0.00 O ATOM 49 CB THR A 4 -6.299 1.249 -2.062 1.00 0.00 C ATOM 50 OG1 THR A 4 -6.908 -0.042 -1.883 1.00 0.00 O ATOM 51 CG2 THR A 4 -4.957 1.305 -1.309 1.00 0.00 C ATOM 0 H THR A 4 -8.526 1.532 -3.101 1.00 0.00 H new ATOM 0 HA THR A 4 -7.522 2.184 -0.542 1.00 0.00 H new ATOM 0 HB THR A 4 -6.070 1.432 -3.112 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.365 -0.577 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.299 0.518 -1.678 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.489 2.276 -1.472 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.132 1.161 -0.243 1.00 0.00 H new ATOM 59 N PHE A 5 -6.802 4.318 -2.978 1.00 0.00 N ATOM 60 CA PHE A 5 -6.354 5.698 -3.251 1.00 0.00 C ATOM 61 C PHE A 5 -7.110 6.704 -2.365 1.00 0.00 C ATOM 62 O PHE A 5 -6.496 7.599 -1.801 1.00 0.00 O ATOM 63 CB PHE A 5 -6.532 6.078 -4.753 1.00 0.00 C ATOM 64 CG PHE A 5 -6.329 7.583 -5.017 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.065 8.165 -4.893 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.413 8.426 -5.308 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.893 9.525 -5.054 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.229 9.787 -5.479 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.971 10.334 -5.344 1.00 0.00 C ATOM 0 H PHE A 5 -7.194 3.841 -3.790 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.291 5.742 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.822 5.510 -5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.530 5.788 -5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.211 7.543 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.404 8.007 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.909 9.958 -4.952 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.071 10.420 -5.718 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.830 11.398 -5.466 1.00 0.00 H new ATOM 79 N ASP A 6 -8.439 6.540 -2.280 1.00 0.00 N ATOM 80 CA ASP A 6 -9.322 7.445 -1.507 1.00 0.00 C ATOM 81 C ASP A 6 -8.919 7.497 -0.023 1.00 0.00 C ATOM 82 O ASP A 6 -8.867 8.580 0.574 1.00 0.00 O ATOM 83 CB ASP A 6 -10.804 7.028 -1.646 1.00 0.00 C ATOM 84 CG ASP A 6 -11.392 7.320 -3.037 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.237 6.483 -3.950 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.021 8.391 -3.228 1.00 0.00 O ATOM 0 H ASP A 6 -8.937 5.779 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.203 8.445 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.895 5.962 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.393 7.551 -0.893 1.00 0.00 H new ATOM 91 N ARG A 7 -8.625 6.313 0.543 1.00 0.00 N ATOM 92 CA ARG A 7 -8.119 6.177 1.926 1.00 0.00 C ATOM 93 C ARG A 7 -6.778 6.919 2.091 1.00 0.00 C ATOM 94 O ARG A 7 -6.643 7.761 2.975 1.00 0.00 O ATOM 95 CB ARG A 7 -7.943 4.682 2.290 1.00 0.00 C ATOM 96 CG ARG A 7 -9.255 3.873 2.332 1.00 0.00 C ATOM 97 CD ARG A 7 -10.166 4.277 3.510 1.00 0.00 C ATOM 98 NE ARG A 7 -9.587 3.894 4.812 1.00 0.00 N ATOM 99 CZ ARG A 7 -9.814 4.500 5.984 1.00 0.00 C ATOM 100 NH1 ARG A 7 -10.571 5.585 6.062 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.266 4.001 7.088 1.00 0.00 N ATOM 0 H ARG A 7 -8.730 5.422 0.057 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.849 6.623 2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.271 4.222 1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.458 4.613 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.795 4.015 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.020 2.811 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.330 5.354 3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.141 3.804 3.393 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.955 3.093 4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.993 5.974 5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.731 6.031 6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.681 3.167 7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.430 4.452 7.988 1.00 0.00 H new ATOM 115 N VAL A 8 -5.828 6.621 1.187 1.00 0.00 N ATOM 116 CA VAL A 8 -4.462 7.185 1.213 1.00 0.00 C ATOM 117 C VAL A 8 -4.475 8.720 1.041 1.00 0.00 C ATOM 118 O VAL A 8 -3.706 9.422 1.683 1.00 0.00 O ATOM 119 CB VAL A 8 -3.556 6.501 0.117 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.169 7.190 -0.032 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.392 4.993 0.434 1.00 0.00 C ATOM 0 H VAL A 8 -5.985 5.978 0.411 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.035 6.972 2.193 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.061 6.617 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.589 6.678 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.309 8.232 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.636 7.144 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.765 4.527 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.924 4.875 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.371 4.514 0.441 1.00 0.00 H new ATOM 131 N ALA A 9 -5.392 9.218 0.202 1.00 0.00 N ATOM 132 CA ALA A 9 -5.545 10.659 -0.093 1.00 0.00 C ATOM 133 C ALA A 9 -5.963 11.426 1.170 1.00 0.00 C ATOM 134 O ALA A 9 -5.411 12.481 1.489 1.00 0.00 O ATOM 135 CB ALA A 9 -6.577 10.864 -1.224 1.00 0.00 C ATOM 0 H ALA A 9 -6.058 8.630 -0.299 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.584 11.052 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.681 11.929 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.238 10.350 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.541 10.459 -0.915 1.00 0.00 H new ATOM 141 N THR A 10 -6.940 10.855 1.890 1.00 0.00 N ATOM 142 CA THR A 10 -7.426 11.394 3.170 1.00 0.00 C ATOM 143 C THR A 10 -6.321 11.323 4.247 1.00 0.00 C ATOM 144 O THR A 10 -6.165 12.252 5.043 1.00 0.00 O ATOM 145 CB THR A 10 -8.705 10.626 3.637 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.640 10.562 2.553 1.00 0.00 O ATOM 147 CG2 THR A 10 -9.398 11.290 4.845 1.00 0.00 C ATOM 0 H THR A 10 -7.418 10.002 1.600 1.00 0.00 H new ATOM 0 HA THR A 10 -7.690 12.441 3.024 1.00 0.00 H new ATOM 0 HB THR A 10 -8.383 9.631 3.946 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.363 9.864 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.279 10.711 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.707 11.325 5.687 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.699 12.304 4.580 1.00 0.00 H new ATOM 155 N ILE A 11 -5.545 10.217 4.235 1.00 0.00 N ATOM 156 CA ILE A 11 -4.371 10.025 5.117 1.00 0.00 C ATOM 157 C ILE A 11 -3.331 11.148 4.908 1.00 0.00 C ATOM 158 O ILE A 11 -2.869 11.742 5.878 1.00 0.00 O ATOM 159 CB ILE A 11 -3.716 8.597 4.892 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.640 7.478 5.472 1.00 0.00 C ATOM 161 CG2 ILE A 11 -2.282 8.497 5.473 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.166 6.049 5.218 1.00 0.00 C ATOM 0 H ILE A 11 -5.716 9.429 3.611 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.718 10.076 6.149 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.620 8.452 3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.734 7.627 6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.637 7.595 5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.884 7.499 5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.642 9.237 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.310 8.685 6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.874 5.347 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.101 5.873 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.184 5.906 5.669 1.00 0.00 H new ATOM 174 N ILE A 12 -3.016 11.462 3.638 1.00 0.00 N ATOM 175 CA ILE A 12 -1.997 12.475 3.280 1.00 0.00 C ATOM 176 C ILE A 12 -2.435 13.878 3.763 1.00 0.00 C ATOM 177 O ILE A 12 -1.612 14.663 4.269 1.00 0.00 O ATOM 178 CB ILE A 12 -1.739 12.466 1.725 1.00 0.00 C ATOM 179 CG1 ILE A 12 -1.087 11.115 1.284 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.883 13.667 1.261 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.936 10.946 -0.222 1.00 0.00 C ATOM 0 H ILE A 12 -3.458 11.024 2.830 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.062 12.224 3.781 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.710 12.564 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.103 11.034 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.689 10.293 1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.735 13.613 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.394 14.597 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.085 13.639 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.475 9.981 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.918 10.992 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.307 11.744 -0.616 1.00 0.00 H new ATOM 193 N ALA A 13 -3.742 14.157 3.609 1.00 0.00 N ATOM 194 CA ALA A 13 -4.381 15.387 4.114 1.00 0.00 C ATOM 195 C ALA A 13 -4.179 15.547 5.637 1.00 0.00 C ATOM 196 O ALA A 13 -3.798 16.625 6.112 1.00 0.00 O ATOM 197 CB ALA A 13 -5.881 15.390 3.754 1.00 0.00 C ATOM 0 H ALA A 13 -4.389 13.532 3.128 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.902 16.240 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.344 16.302 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.995 15.346 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.365 14.524 4.205 1.00 0.00 H new ATOM 203 N GLU A 14 -4.402 14.452 6.385 1.00 0.00 N ATOM 204 CA GLU A 14 -4.301 14.434 7.858 1.00 0.00 C ATOM 205 C GLU A 14 -2.839 14.442 8.353 1.00 0.00 C ATOM 206 O GLU A 14 -2.554 14.982 9.428 1.00 0.00 O ATOM 207 CB GLU A 14 -5.046 13.192 8.412 1.00 0.00 C ATOM 208 CG GLU A 14 -6.564 13.191 8.144 1.00 0.00 C ATOM 209 CD GLU A 14 -7.299 14.371 8.809 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.544 14.312 10.035 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.632 15.362 8.117 1.00 0.00 O ATOM 0 H GLU A 14 -4.659 13.550 5.984 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.765 15.347 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.611 12.295 7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.879 13.132 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.736 13.224 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.990 12.255 8.507 1.00 0.00 H new ATOM 218 N THR A 15 -1.924 13.834 7.575 1.00 0.00 N ATOM 219 CA THR A 15 -0.513 13.668 7.981 1.00 0.00 C ATOM 220 C THR A 15 0.309 14.960 7.753 1.00 0.00 C ATOM 221 O THR A 15 0.786 15.573 8.715 1.00 0.00 O ATOM 222 CB THR A 15 0.159 12.470 7.218 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.636 11.283 7.382 1.00 0.00 O ATOM 224 CG2 THR A 15 1.585 12.185 7.718 1.00 0.00 C ATOM 0 H THR A 15 -2.137 13.447 6.656 1.00 0.00 H new ATOM 0 HA THR A 15 -0.517 13.451 9.049 1.00 0.00 H new ATOM 0 HB THR A 15 0.219 12.752 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.393 11.308 6.760 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.006 11.349 7.160 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.206 13.069 7.571 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.556 11.935 8.779 1.00 0.00 H new ATOM 232 N CYS A 16 0.429 15.384 6.483 1.00 0.00 N ATOM 233 CA CYS A 16 1.387 16.436 6.067 1.00 0.00 C ATOM 234 C CYS A 16 0.684 17.742 5.641 1.00 0.00 C ATOM 235 O CYS A 16 1.351 18.679 5.179 1.00 0.00 O ATOM 236 CB CYS A 16 2.263 15.879 4.923 1.00 0.00 C ATOM 237 SG CYS A 16 3.282 14.475 5.410 1.00 0.00 S ATOM 0 H CYS A 16 -0.130 15.012 5.715 1.00 0.00 H new ATOM 0 HA CYS A 16 2.009 16.696 6.923 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.619 15.580 4.096 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.909 16.674 4.552 1.00 0.00 H new ATOM 0 HG CYS A 16 4.098 14.838 6.355 1.00 0.00 H new ATOM 243 N ASP A 17 -0.656 17.790 5.820 1.00 0.00 N ATOM 244 CA ASP A 17 -1.511 18.944 5.450 1.00 0.00 C ATOM 245 C ASP A 17 -1.378 19.321 3.956 1.00 0.00 C ATOM 246 O ASP A 17 -0.748 20.320 3.598 1.00 0.00 O ATOM 247 CB ASP A 17 -1.269 20.164 6.391 1.00 0.00 C ATOM 248 CG ASP A 17 -2.198 21.366 6.109 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.439 21.211 6.211 1.00 0.00 O ATOM 250 OD2 ASP A 17 -1.700 22.475 5.804 1.00 0.00 O ATOM 0 H ASP A 17 -1.182 17.019 6.231 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.545 18.630 5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.406 19.846 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.233 20.487 6.292 1.00 0.00 H new ATOM 255 N ILE A 18 -1.903 18.447 3.088 1.00 0.00 N ATOM 256 CA ILE A 18 -2.122 18.749 1.660 1.00 0.00 C ATOM 257 C ILE A 18 -3.639 18.638 1.437 1.00 0.00 C ATOM 258 O ILE A 18 -4.202 17.604 1.810 1.00 0.00 O ATOM 259 CB ILE A 18 -1.356 17.774 0.657 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.200 17.773 0.895 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.683 18.129 -0.816 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.669 16.974 2.081 1.00 0.00 C ATOM 0 H ILE A 18 -2.190 17.505 3.354 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.722 19.740 1.444 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.713 16.765 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.687 17.385 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.533 18.804 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.149 17.450 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.756 18.032 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.375 19.154 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.754 17.038 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.218 17.373 2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.375 15.932 1.957 1.00 0.00 H new ATOM 274 N PRO A 19 -4.333 19.683 0.859 1.00 0.00 N ATOM 275 CA PRO A 19 -5.797 19.631 0.614 1.00 0.00 C ATOM 276 C PRO A 19 -6.189 18.357 -0.157 1.00 0.00 C ATOM 277 O PRO A 19 -5.640 18.095 -1.229 1.00 0.00 O ATOM 278 CB PRO A 19 -6.082 20.909 -0.226 1.00 0.00 C ATOM 279 CG PRO A 19 -4.974 21.843 0.138 1.00 0.00 C ATOM 280 CD PRO A 19 -3.759 20.969 0.384 1.00 0.00 C ATOM 0 HA PRO A 19 -6.375 19.600 1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.084 20.691 -1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.056 21.334 0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.786 22.557 -0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.226 22.421 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.174 20.833 -0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.095 21.409 1.128 1.00 0.00 H new ATOM 288 N ARG A 20 -7.095 17.558 0.430 1.00 0.00 N ATOM 289 CA ARG A 20 -7.540 16.265 -0.135 1.00 0.00 C ATOM 290 C ARG A 20 -8.095 16.455 -1.573 1.00 0.00 C ATOM 291 O ARG A 20 -7.939 15.572 -2.423 1.00 0.00 O ATOM 292 CB ARG A 20 -8.579 15.615 0.842 1.00 0.00 C ATOM 293 CG ARG A 20 -8.796 14.076 0.732 1.00 0.00 C ATOM 294 CD ARG A 20 -9.537 13.645 -0.537 1.00 0.00 C ATOM 295 NE ARG A 20 -9.961 12.239 -0.515 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.230 11.519 -1.605 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.905 11.956 -2.817 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.774 10.340 -1.470 1.00 0.00 N ATOM 0 H ARG A 20 -7.545 17.789 1.316 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.695 15.582 -0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.269 15.840 1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.541 16.104 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.826 13.579 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.356 13.734 1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.413 14.279 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.891 13.809 -1.400 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.056 11.784 0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.441 12.858 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.120 11.390 -3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.988 9.980 -0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.985 9.778 -2.295 1.00 0.00 H new ATOM 312 N GLU A 21 -8.678 17.639 -1.847 1.00 0.00 N ATOM 313 CA GLU A 21 -9.252 17.977 -3.164 1.00 0.00 C ATOM 314 C GLU A 21 -8.143 18.143 -4.231 1.00 0.00 C ATOM 315 O GLU A 21 -8.368 17.870 -5.414 1.00 0.00 O ATOM 316 CB GLU A 21 -10.109 19.271 -3.056 1.00 0.00 C ATOM 317 CG GLU A 21 -9.325 20.532 -2.631 1.00 0.00 C ATOM 318 CD GLU A 21 -10.203 21.788 -2.553 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.593 22.308 -3.620 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.530 22.249 -1.437 1.00 0.00 O ATOM 0 H GLU A 21 -8.764 18.388 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.894 17.155 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.579 19.460 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.911 19.100 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.865 20.356 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.515 20.705 -3.340 1.00 0.00 H new ATOM 327 N THR A 22 -6.941 18.577 -3.794 1.00 0.00 N ATOM 328 CA THR A 22 -5.783 18.787 -4.691 1.00 0.00 C ATOM 329 C THR A 22 -4.916 17.509 -4.802 1.00 0.00 C ATOM 330 O THR A 22 -3.886 17.515 -5.483 1.00 0.00 O ATOM 331 CB THR A 22 -4.891 20.001 -4.226 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.300 19.753 -2.935 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.701 21.307 -4.153 1.00 0.00 C ATOM 0 H THR A 22 -6.746 18.791 -2.816 1.00 0.00 H new ATOM 0 HA THR A 22 -6.190 19.021 -5.675 1.00 0.00 H new ATOM 0 HB THR A 22 -4.105 20.108 -4.973 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.843 19.099 -2.447 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.052 22.120 -3.829 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.108 21.538 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.518 21.189 -3.441 1.00 0.00 H new ATOM 341 N ILE A 23 -5.334 16.413 -4.136 1.00 0.00 N ATOM 342 CA ILE A 23 -4.605 15.131 -4.153 1.00 0.00 C ATOM 343 C ILE A 23 -5.199 14.241 -5.268 1.00 0.00 C ATOM 344 O ILE A 23 -6.231 13.594 -5.082 1.00 0.00 O ATOM 345 CB ILE A 23 -4.689 14.430 -2.742 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.004 15.319 -1.658 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.068 13.016 -2.763 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.107 14.799 -0.233 1.00 0.00 C ATOM 0 H ILE A 23 -6.184 16.393 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.549 15.302 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.743 14.314 -2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.950 15.427 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.445 16.315 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.147 12.569 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.600 12.396 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.018 13.084 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.600 15.488 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.157 14.719 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.638 13.817 -0.169 1.00 0.00 H new ATOM 360 N THR A 24 -4.550 14.272 -6.439 1.00 0.00 N ATOM 361 CA THR A 24 -4.996 13.564 -7.660 1.00 0.00 C ATOM 362 C THR A 24 -4.256 12.210 -7.804 1.00 0.00 C ATOM 363 O THR A 24 -3.147 12.067 -7.287 1.00 0.00 O ATOM 364 CB THR A 24 -4.763 14.483 -8.912 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.417 14.977 -8.922 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.737 15.678 -8.936 1.00 0.00 C ATOM 0 H THR A 24 -3.686 14.796 -6.573 1.00 0.00 H new ATOM 0 HA THR A 24 -6.061 13.346 -7.585 1.00 0.00 H new ATOM 0 HB THR A 24 -4.944 13.873 -9.797 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.284 15.547 -9.708 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.542 16.288 -9.818 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.763 15.311 -8.968 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.595 16.281 -8.039 1.00 0.00 H new ATOM 374 N PRO A 25 -4.860 11.172 -8.491 1.00 0.00 N ATOM 375 CA PRO A 25 -4.233 9.828 -8.630 1.00 0.00 C ATOM 376 C PRO A 25 -2.894 9.862 -9.402 1.00 0.00 C ATOM 377 O PRO A 25 -1.961 9.124 -9.077 1.00 0.00 O ATOM 378 CB PRO A 25 -5.310 8.987 -9.371 1.00 0.00 C ATOM 379 CG PRO A 25 -6.163 9.999 -10.072 1.00 0.00 C ATOM 380 CD PRO A 25 -6.196 11.205 -9.155 1.00 0.00 C ATOM 0 HA PRO A 25 -3.961 9.408 -7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.854 8.294 -10.079 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.896 8.390 -8.673 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.746 10.257 -11.045 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.167 9.612 -10.248 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.345 12.130 -9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.007 11.136 -8.430 1.00 0.00 H new ATOM 388 N GLU A 26 -2.780 10.787 -10.370 1.00 0.00 N ATOM 389 CA GLU A 26 -1.606 10.890 -11.259 1.00 0.00 C ATOM 390 C GLU A 26 -0.585 11.908 -10.694 1.00 0.00 C ATOM 391 O GLU A 26 0.357 12.309 -11.388 1.00 0.00 O ATOM 392 CB GLU A 26 -2.075 11.295 -12.680 1.00 0.00 C ATOM 393 CG GLU A 26 -3.112 10.341 -13.308 1.00 0.00 C ATOM 394 CD GLU A 26 -3.667 10.864 -14.645 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.636 11.655 -14.628 1.00 0.00 O ATOM 396 OE2 GLU A 26 -3.137 10.490 -15.711 1.00 0.00 O ATOM 0 H GLU A 26 -3.499 11.486 -10.560 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.106 9.923 -11.316 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.502 12.297 -12.636 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.205 11.347 -13.335 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.653 9.365 -13.467 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.936 10.196 -12.609 1.00 0.00 H new ATOM 403 N SER A 27 -0.782 12.299 -9.422 1.00 0.00 N ATOM 404 CA SER A 27 0.113 13.208 -8.702 1.00 0.00 C ATOM 405 C SER A 27 1.306 12.424 -8.156 1.00 0.00 C ATOM 406 O SER A 27 1.154 11.290 -7.696 1.00 0.00 O ATOM 407 CB SER A 27 -0.633 13.902 -7.538 1.00 0.00 C ATOM 408 OG SER A 27 0.240 14.692 -6.757 1.00 0.00 O ATOM 0 H SER A 27 -1.577 11.987 -8.864 1.00 0.00 H new ATOM 0 HA SER A 27 0.463 13.974 -9.394 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.431 14.528 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.105 13.149 -6.907 1.00 0.00 H new ATOM 0 HG SER A 27 0.181 15.627 -7.045 1.00 0.00 H new ATOM 414 N HIS A 28 2.490 13.035 -8.235 1.00 0.00 N ATOM 415 CA HIS A 28 3.709 12.500 -7.640 1.00 0.00 C ATOM 416 C HIS A 28 3.859 13.133 -6.246 1.00 0.00 C ATOM 417 O HIS A 28 3.987 14.352 -6.145 1.00 0.00 O ATOM 418 CB HIS A 28 4.925 12.829 -8.547 1.00 0.00 C ATOM 419 CG HIS A 28 6.158 12.025 -8.229 1.00 0.00 C ATOM 420 ND1 HIS A 28 7.009 12.373 -7.211 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.635 10.909 -8.832 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.974 11.475 -7.230 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.785 10.573 -8.192 1.00 0.00 N ATOM 0 H HIS A 28 2.627 13.922 -8.719 1.00 0.00 H new ATOM 0 HA HIS A 28 3.660 11.415 -7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.648 12.655 -9.587 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.160 13.889 -8.453 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.186 10.386 -9.664 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.813 11.471 -6.550 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.389 9.780 -8.407 1.00 0.00 H new ATOM 431 N ALA A 29 3.803 12.316 -5.177 1.00 0.00 N ATOM 432 CA ALA A 29 3.902 12.787 -3.773 1.00 0.00 C ATOM 433 C ALA A 29 5.107 13.719 -3.516 1.00 0.00 C ATOM 434 O ALA A 29 5.016 14.640 -2.710 1.00 0.00 O ATOM 435 CB ALA A 29 3.952 11.577 -2.828 1.00 0.00 C ATOM 0 H ALA A 29 3.687 11.306 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 29 3.012 13.386 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.025 11.923 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.046 10.984 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.821 10.964 -3.067 1.00 0.00 H new ATOM 441 N ILE A 30 6.205 13.514 -4.258 1.00 0.00 N ATOM 442 CA ILE A 30 7.463 14.245 -4.041 1.00 0.00 C ATOM 443 C ILE A 30 7.539 15.458 -5.003 1.00 0.00 C ATOM 444 O ILE A 30 7.650 16.602 -4.549 1.00 0.00 O ATOM 445 CB ILE A 30 8.691 13.270 -4.227 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.643 12.136 -3.148 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.055 14.005 -4.219 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.801 11.150 -3.196 1.00 0.00 C ATOM 0 H ILE A 30 6.247 12.840 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 30 7.496 14.627 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 30 8.603 12.822 -5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.619 12.596 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.711 11.584 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.859 13.281 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.082 14.730 -5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.184 14.522 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.677 10.405 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.817 10.655 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.740 11.683 -3.045 1.00 0.00 H new ATOM 460 N ASP A 31 7.402 15.207 -6.325 1.00 0.00 N ATOM 461 CA ASP A 31 7.617 16.237 -7.384 1.00 0.00 C ATOM 462 C ASP A 31 6.376 17.117 -7.649 1.00 0.00 C ATOM 463 O ASP A 31 6.466 18.086 -8.414 1.00 0.00 O ATOM 464 CB ASP A 31 8.074 15.565 -8.710 1.00 0.00 C ATOM 465 CG ASP A 31 9.524 15.060 -8.659 1.00 0.00 C ATOM 466 OD1 ASP A 31 10.452 15.879 -8.861 1.00 0.00 O ATOM 467 OD2 ASP A 31 9.751 13.859 -8.415 1.00 0.00 O ATOM 0 H ASP A 31 7.141 14.292 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 31 8.399 16.897 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.412 14.729 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.973 16.280 -9.527 1.00 0.00 H new ATOM 472 N ASP A 32 5.222 16.781 -7.048 1.00 0.00 N ATOM 473 CA ASP A 32 3.972 17.561 -7.235 1.00 0.00 C ATOM 474 C ASP A 32 3.472 18.096 -5.888 1.00 0.00 C ATOM 475 O ASP A 32 3.400 19.312 -5.682 1.00 0.00 O ATOM 476 CB ASP A 32 2.880 16.697 -7.924 1.00 0.00 C ATOM 477 CG ASP A 32 1.596 17.487 -8.246 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.522 18.107 -9.326 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.653 17.498 -7.424 1.00 0.00 O ATOM 0 H ASP A 32 5.122 15.977 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 32 4.189 18.409 -7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.284 16.280 -8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.629 15.856 -7.277 1.00 0.00 H new ATOM 484 N LEU A 33 3.135 17.172 -4.962 1.00 0.00 N ATOM 485 CA LEU A 33 2.590 17.533 -3.633 1.00 0.00 C ATOM 486 C LEU A 33 3.670 18.156 -2.720 1.00 0.00 C ATOM 487 O LEU A 33 3.335 18.797 -1.720 1.00 0.00 O ATOM 488 CB LEU A 33 1.963 16.300 -2.932 1.00 0.00 C ATOM 489 CG LEU A 33 0.761 15.608 -3.646 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.219 14.445 -2.788 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.354 16.617 -4.011 1.00 0.00 C ATOM 0 H LEU A 33 3.231 16.167 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 33 1.813 18.278 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.747 15.556 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.635 16.607 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 33 1.125 15.194 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.619 13.974 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.008 13.710 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.116 14.829 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.171 16.093 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.725 17.093 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.048 17.377 -4.681 1.00 0.00 H new ATOM 503 N GLY A 34 4.956 17.961 -3.083 1.00 0.00 N ATOM 504 CA GLY A 34 6.092 18.522 -2.335 1.00 0.00 C ATOM 505 C GLY A 34 6.219 17.958 -0.926 1.00 0.00 C ATOM 506 O GLY A 34 6.584 18.671 0.017 1.00 0.00 O ATOM 0 H GLY A 34 5.230 17.413 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.013 18.324 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.982 19.605 -2.278 1.00 0.00 H new ATOM 510 N ILE A 35 5.891 16.668 -0.793 1.00 0.00 N ATOM 511 CA ILE A 35 6.032 15.922 0.460 1.00 0.00 C ATOM 512 C ILE A 35 7.455 15.378 0.524 1.00 0.00 C ATOM 513 O ILE A 35 7.864 14.612 -0.365 1.00 0.00 O ATOM 514 CB ILE A 35 5.016 14.723 0.530 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.555 15.226 0.334 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.163 13.932 1.856 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.529 14.120 0.165 1.00 0.00 C ATOM 0 H ILE A 35 5.517 16.109 -1.560 1.00 0.00 H new ATOM 0 HA ILE A 35 5.824 16.587 1.298 1.00 0.00 H new ATOM 0 HB ILE A 35 5.251 14.038 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.275 15.836 1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.521 15.874 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.446 13.111 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.174 13.532 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.972 14.596 2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.540 14.558 0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.780 13.522 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.530 13.484 1.050 1.00 0.00 H new ATOM 529 N ASP A 36 8.212 15.795 1.547 1.00 0.00 N ATOM 530 CA ASP A 36 9.593 15.330 1.743 1.00 0.00 C ATOM 531 C ASP A 36 9.618 13.883 2.240 1.00 0.00 C ATOM 532 O ASP A 36 8.582 13.307 2.573 1.00 0.00 O ATOM 533 CB ASP A 36 10.356 16.266 2.711 1.00 0.00 C ATOM 534 CG ASP A 36 10.632 17.650 2.108 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.465 17.748 1.178 1.00 0.00 O ATOM 536 OD2 ASP A 36 10.031 18.648 2.562 1.00 0.00 O ATOM 0 H ASP A 36 7.891 16.456 2.254 1.00 0.00 H new ATOM 0 HA ASP A 36 10.100 15.359 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.777 16.383 3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.302 15.801 2.989 1.00 0.00 H new ATOM 541 N SER A 37 10.824 13.323 2.296 1.00 0.00 N ATOM 542 CA SER A 37 11.046 11.887 2.495 1.00 0.00 C ATOM 543 C SER A 37 10.581 11.402 3.883 1.00 0.00 C ATOM 544 O SER A 37 9.797 10.460 3.971 1.00 0.00 O ATOM 545 CB SER A 37 12.530 11.610 2.302 1.00 0.00 C ATOM 546 OG SER A 37 12.835 10.216 2.285 1.00 0.00 O ATOM 0 H SER A 37 11.688 13.858 2.204 1.00 0.00 H new ATOM 0 HA SER A 37 10.450 11.336 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.860 12.061 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.092 12.090 3.103 1.00 0.00 H new ATOM 551 N LEU A 38 11.052 12.080 4.955 1.00 0.00 N ATOM 552 CA LEU A 38 10.718 11.706 6.355 1.00 0.00 C ATOM 553 C LEU A 38 9.206 11.877 6.613 1.00 0.00 C ATOM 554 O LEU A 38 8.610 11.129 7.409 1.00 0.00 O ATOM 555 CB LEU A 38 11.551 12.531 7.382 1.00 0.00 C ATOM 556 CG LEU A 38 13.103 12.491 7.198 1.00 0.00 C ATOM 557 CD1 LEU A 38 13.811 13.447 8.185 1.00 0.00 C ATOM 558 CD2 LEU A 38 13.652 11.047 7.306 1.00 0.00 C ATOM 0 H LEU A 38 11.666 12.891 4.880 1.00 0.00 H new ATOM 0 HA LEU A 38 10.978 10.656 6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.226 13.570 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.315 12.171 8.383 1.00 0.00 H new ATOM 0 HG LEU A 38 13.323 12.843 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.889 13.396 8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.468 14.467 8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.576 13.153 9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.734 11.058 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.411 10.639 8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.198 10.426 6.534 1.00 0.00 H new ATOM 570 N ASP A 39 8.597 12.864 5.915 1.00 0.00 N ATOM 571 CA ASP A 39 7.130 13.072 5.906 1.00 0.00 C ATOM 572 C ASP A 39 6.424 11.873 5.253 1.00 0.00 C ATOM 573 O ASP A 39 5.434 11.368 5.785 1.00 0.00 O ATOM 574 CB ASP A 39 6.739 14.363 5.129 1.00 0.00 C ATOM 575 CG ASP A 39 7.208 15.657 5.800 1.00 0.00 C ATOM 576 OD1 ASP A 39 6.501 16.162 6.698 1.00 0.00 O ATOM 577 OD2 ASP A 39 8.286 16.175 5.444 1.00 0.00 O ATOM 0 H ASP A 39 9.108 13.537 5.343 1.00 0.00 H new ATOM 0 HA ASP A 39 6.814 13.175 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.160 14.313 4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.655 14.395 5.019 1.00 0.00 H new ATOM 582 N PHE A 40 6.972 11.419 4.108 1.00 0.00 N ATOM 583 CA PHE A 40 6.392 10.326 3.300 1.00 0.00 C ATOM 584 C PHE A 40 6.502 8.976 4.050 1.00 0.00 C ATOM 585 O PHE A 40 5.665 8.088 3.865 1.00 0.00 O ATOM 586 CB PHE A 40 7.104 10.250 1.919 1.00 0.00 C ATOM 587 CG PHE A 40 6.479 9.253 0.942 1.00 0.00 C ATOM 588 CD1 PHE A 40 5.279 9.555 0.299 1.00 0.00 C ATOM 589 CD2 PHE A 40 7.084 8.026 0.666 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.706 8.663 -0.583 1.00 0.00 C ATOM 591 CE2 PHE A 40 6.507 7.133 -0.217 1.00 0.00 C ATOM 592 CZ PHE A 40 5.321 7.453 -0.843 1.00 0.00 C ATOM 0 H PHE A 40 7.833 11.801 3.716 1.00 0.00 H new ATOM 0 HA PHE A 40 5.335 10.534 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.095 11.240 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.148 9.981 2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.792 10.499 0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.016 7.771 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.775 8.910 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.985 6.185 -0.417 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.872 6.758 -1.537 1.00 0.00 H new ATOM 602 N LEU A 41 7.549 8.847 4.890 1.00 0.00 N ATOM 603 CA LEU A 41 7.748 7.676 5.768 1.00 0.00 C ATOM 604 C LEU A 41 6.625 7.606 6.814 1.00 0.00 C ATOM 605 O LEU A 41 6.056 6.540 7.054 1.00 0.00 O ATOM 606 CB LEU A 41 9.131 7.757 6.470 1.00 0.00 C ATOM 607 CG LEU A 41 10.368 7.757 5.528 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.680 7.931 6.318 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.392 6.494 4.648 1.00 0.00 C ATOM 0 H LEU A 41 8.281 9.552 4.979 1.00 0.00 H new ATOM 0 HA LEU A 41 7.720 6.772 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.158 8.664 7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.220 6.914 7.155 1.00 0.00 H new ATOM 0 HG LEU A 41 10.281 8.617 4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.524 7.926 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.657 8.878 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.788 7.112 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.267 6.519 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.437 5.609 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.489 6.458 4.038 1.00 0.00 H new ATOM 621 N ASP A 42 6.301 8.777 7.396 1.00 0.00 N ATOM 622 CA ASP A 42 5.245 8.917 8.417 1.00 0.00 C ATOM 623 C ASP A 42 3.844 8.731 7.775 1.00 0.00 C ATOM 624 O ASP A 42 2.912 8.247 8.431 1.00 0.00 O ATOM 625 CB ASP A 42 5.368 10.291 9.138 1.00 0.00 C ATOM 626 CG ASP A 42 4.496 10.381 10.406 1.00 0.00 C ATOM 627 OD1 ASP A 42 4.920 9.878 11.466 1.00 0.00 O ATOM 628 OD2 ASP A 42 3.377 10.931 10.347 1.00 0.00 O ATOM 0 H ASP A 42 6.767 9.656 7.170 1.00 0.00 H new ATOM 0 HA ASP A 42 5.371 8.137 9.167 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.410 10.463 9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.081 11.085 8.448 1.00 0.00 H new ATOM 633 N ILE A 43 3.719 9.097 6.477 1.00 0.00 N ATOM 634 CA ILE A 43 2.514 8.803 5.671 1.00 0.00 C ATOM 635 C ILE A 43 2.374 7.287 5.489 1.00 0.00 C ATOM 636 O ILE A 43 1.281 6.743 5.643 1.00 0.00 O ATOM 637 CB ILE A 43 2.524 9.503 4.252 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.501 11.056 4.400 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.351 9.015 3.349 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.430 11.825 3.097 1.00 0.00 C ATOM 0 H ILE A 43 4.444 9.599 5.965 1.00 0.00 H new ATOM 0 HA ILE A 43 1.664 9.208 6.219 1.00 0.00 H new ATOM 0 HB ILE A 43 3.452 9.215 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.645 11.334 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.396 11.367 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.398 9.522 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.432 7.939 3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.401 9.242 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.419 12.895 3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.299 11.584 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.521 11.550 2.562 1.00 0.00 H new ATOM 652 N ALA A 44 3.501 6.606 5.216 1.00 0.00 N ATOM 653 CA ALA A 44 3.522 5.155 4.967 1.00 0.00 C ATOM 654 C ALA A 44 3.306 4.381 6.284 1.00 0.00 C ATOM 655 O ALA A 44 2.883 3.235 6.263 1.00 0.00 O ATOM 656 CB ALA A 44 4.857 4.751 4.312 1.00 0.00 C ATOM 0 H ALA A 44 4.420 7.045 5.162 1.00 0.00 H new ATOM 0 HA ALA A 44 2.710 4.902 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.863 3.676 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.972 5.278 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.682 5.012 4.975 1.00 0.00 H new ATOM 662 N PHE A 45 3.640 5.033 7.416 1.00 0.00 N ATOM 663 CA PHE A 45 3.360 4.542 8.786 1.00 0.00 C ATOM 664 C PHE A 45 1.858 4.644 9.111 1.00 0.00 C ATOM 665 O PHE A 45 1.320 3.803 9.837 1.00 0.00 O ATOM 666 CB PHE A 45 4.208 5.337 9.831 1.00 0.00 C ATOM 667 CG PHE A 45 5.485 4.634 10.282 1.00 0.00 C ATOM 668 CD1 PHE A 45 5.428 3.661 11.272 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.729 4.945 9.734 1.00 0.00 C ATOM 670 CE1 PHE A 45 6.563 3.015 11.705 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.871 4.295 10.166 1.00 0.00 C ATOM 672 CZ PHE A 45 7.788 3.332 11.152 1.00 0.00 C ATOM 0 H PHE A 45 4.121 5.932 7.406 1.00 0.00 H new ATOM 0 HA PHE A 45 3.643 3.491 8.838 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.473 6.304 9.404 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.589 5.534 10.706 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.474 3.407 11.710 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.801 5.700 8.965 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.496 2.262 12.476 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.829 4.541 9.732 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.681 2.827 11.491 1.00 0.00 H new ATOM 682 N ALA A 46 1.202 5.689 8.587 1.00 0.00 N ATOM 683 CA ALA A 46 -0.252 5.887 8.750 1.00 0.00 C ATOM 684 C ALA A 46 -1.022 4.876 7.874 1.00 0.00 C ATOM 685 O ALA A 46 -2.051 4.339 8.285 1.00 0.00 O ATOM 686 CB ALA A 46 -0.634 7.332 8.395 1.00 0.00 C ATOM 0 H ALA A 46 1.658 6.419 8.040 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.524 5.713 9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.709 7.465 8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.104 8.021 9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.360 7.537 7.360 1.00 0.00 H new ATOM 692 N ILE A 47 -0.487 4.633 6.666 1.00 0.00 N ATOM 693 CA ILE A 47 -0.991 3.618 5.719 1.00 0.00 C ATOM 694 C ILE A 47 -0.794 2.198 6.290 1.00 0.00 C ATOM 695 O ILE A 47 -1.678 1.338 6.174 1.00 0.00 O ATOM 696 CB ILE A 47 -0.242 3.758 4.338 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.598 5.117 3.649 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.526 2.567 3.398 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.224 5.439 2.406 1.00 0.00 C ATOM 0 H ILE A 47 0.322 5.144 6.312 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.058 3.781 5.566 1.00 0.00 H new ATOM 0 HB ILE A 47 0.828 3.748 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.653 5.104 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.466 5.921 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.011 2.708 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.194 1.643 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.596 2.508 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.094 6.399 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.280 5.489 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.074 4.660 1.659 1.00 0.00 H new ATOM 711 N ASP A 48 0.392 1.987 6.891 1.00 0.00 N ATOM 712 CA ASP A 48 0.789 0.727 7.555 1.00 0.00 C ATOM 713 C ASP A 48 -0.307 0.275 8.541 1.00 0.00 C ATOM 714 O ASP A 48 -0.874 -0.814 8.406 1.00 0.00 O ATOM 715 CB ASP A 48 2.135 0.967 8.310 1.00 0.00 C ATOM 716 CG ASP A 48 2.746 -0.260 9.017 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.270 -0.640 10.112 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.750 -0.809 8.518 1.00 0.00 O ATOM 0 H ASP A 48 1.118 2.702 6.930 1.00 0.00 H new ATOM 0 HA ASP A 48 0.919 -0.059 6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.865 1.350 7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.976 1.748 9.054 1.00 0.00 H new ATOM 723 N LYS A 49 -0.614 1.170 9.493 1.00 0.00 N ATOM 724 CA LYS A 49 -1.575 0.913 10.576 1.00 0.00 C ATOM 725 C LYS A 49 -3.020 0.808 10.045 1.00 0.00 C ATOM 726 O LYS A 49 -3.756 -0.118 10.417 1.00 0.00 O ATOM 727 CB LYS A 49 -1.444 2.037 11.640 1.00 0.00 C ATOM 728 CG LYS A 49 -0.040 2.110 12.286 1.00 0.00 C ATOM 729 CD LYS A 49 0.120 3.301 13.257 1.00 0.00 C ATOM 730 CE LYS A 49 1.505 3.351 13.927 1.00 0.00 C ATOM 731 NZ LYS A 49 2.597 3.521 12.935 1.00 0.00 N ATOM 0 H LYS A 49 -0.198 2.101 9.533 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.345 -0.049 11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.672 2.996 11.175 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.187 1.877 12.421 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.154 1.182 12.824 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.711 2.186 11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.048 4.231 12.713 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.648 3.239 14.028 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.533 4.174 14.641 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.668 2.433 14.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.189 4.332 13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.180 2.660 12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.188 3.690 11.994 1.00 0.00 H new ATOM 745 N ALA A 50 -3.409 1.753 9.157 1.00 0.00 N ATOM 746 CA ALA A 50 -4.786 1.840 8.600 1.00 0.00 C ATOM 747 C ALA A 50 -5.201 0.541 7.879 1.00 0.00 C ATOM 748 O ALA A 50 -6.234 -0.061 8.195 1.00 0.00 O ATOM 749 CB ALA A 50 -4.925 3.051 7.651 1.00 0.00 C ATOM 0 H ALA A 50 -2.781 2.476 8.805 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.462 1.979 9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.941 3.091 7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.712 3.969 8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.221 2.949 6.825 1.00 0.00 H new ATOM 755 N PHE A 51 -4.359 0.103 6.936 1.00 0.00 N ATOM 756 CA PHE A 51 -4.618 -1.096 6.106 1.00 0.00 C ATOM 757 C PHE A 51 -4.109 -2.394 6.776 1.00 0.00 C ATOM 758 O PHE A 51 -4.340 -3.491 6.255 1.00 0.00 O ATOM 759 CB PHE A 51 -3.947 -0.920 4.725 1.00 0.00 C ATOM 760 CG PHE A 51 -4.518 0.206 3.871 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.048 1.514 3.994 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.516 -0.050 2.935 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.552 2.523 3.204 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.018 0.959 2.142 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.537 2.244 2.279 1.00 0.00 C ATOM 0 H PHE A 51 -3.476 0.565 6.721 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.698 -1.193 5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.883 -0.738 4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.036 -1.856 4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.279 1.738 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.902 -1.053 2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.177 3.530 3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.787 0.744 1.415 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.933 3.035 1.660 1.00 0.00 H new ATOM 775 N GLY A 52 -3.405 -2.252 7.921 1.00 0.00 N ATOM 776 CA GLY A 52 -2.853 -3.397 8.660 1.00 0.00 C ATOM 777 C GLY A 52 -1.696 -4.091 7.937 1.00 0.00 C ATOM 778 O GLY A 52 -1.332 -5.225 8.276 1.00 0.00 O ATOM 0 H GLY A 52 -3.208 -1.348 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.509 -3.057 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.647 -4.122 8.837 1.00 0.00 H new ATOM 782 N ILE A 53 -1.110 -3.396 6.946 1.00 0.00 N ATOM 783 CA ILE A 53 -0.017 -3.919 6.111 1.00 0.00 C ATOM 784 C ILE A 53 1.311 -3.287 6.525 1.00 0.00 C ATOM 785 O ILE A 53 1.388 -2.586 7.535 1.00 0.00 O ATOM 786 CB ILE A 53 -0.313 -3.700 4.562 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.697 -2.205 4.206 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.407 -4.679 4.091 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.459 -1.235 4.029 1.00 0.00 C ATOM 0 H ILE A 53 -1.386 -2.445 6.701 1.00 0.00 H new ATOM 0 HA ILE A 53 0.054 -4.995 6.271 1.00 0.00 H new ATOM 0 HB ILE A 53 0.614 -3.907 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.281 -2.212 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.347 -1.822 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.603 -4.522 3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.071 -5.704 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.321 -4.504 4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.070 -0.246 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.035 -1.183 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.102 -1.579 3.219 1.00 0.00 H new ATOM 801 N LYS A 54 2.362 -3.598 5.769 1.00 0.00 N ATOM 802 CA LYS A 54 3.674 -2.971 5.913 1.00 0.00 C ATOM 803 C LYS A 54 4.274 -2.780 4.522 1.00 0.00 C ATOM 804 O LYS A 54 4.534 -3.763 3.814 1.00 0.00 O ATOM 805 CB LYS A 54 4.593 -3.833 6.819 1.00 0.00 C ATOM 806 CG LYS A 54 5.954 -3.182 7.143 1.00 0.00 C ATOM 807 CD LYS A 54 6.734 -3.943 8.242 1.00 0.00 C ATOM 808 CE LYS A 54 8.101 -3.310 8.544 1.00 0.00 C ATOM 809 NZ LYS A 54 7.987 -1.875 8.895 1.00 0.00 N ATOM 0 H LYS A 54 2.326 -4.301 5.031 1.00 0.00 H new ATOM 0 HA LYS A 54 3.575 -1.998 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.071 -4.041 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.769 -4.792 6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.558 -3.142 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.793 -2.153 7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.139 -3.966 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.878 -4.977 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.575 -3.847 9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.750 -3.420 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.905 -1.527 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.703 -1.333 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.272 -1.756 9.641 1.00 0.00 H new ATOM 823 N LEU A 55 4.449 -1.513 4.108 1.00 0.00 N ATOM 824 CA LEU A 55 5.099 -1.192 2.834 1.00 0.00 C ATOM 825 C LEU A 55 6.617 -1.430 2.965 1.00 0.00 C ATOM 826 O LEU A 55 7.220 -0.985 3.953 1.00 0.00 O ATOM 827 CB LEU A 55 4.820 0.283 2.410 1.00 0.00 C ATOM 828 CG LEU A 55 3.318 0.676 2.231 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.160 2.156 1.792 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.610 -0.286 1.249 1.00 0.00 C ATOM 0 H LEU A 55 4.148 -0.697 4.641 1.00 0.00 H new ATOM 0 HA LEU A 55 4.688 -1.841 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.261 0.944 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.339 0.474 1.470 1.00 0.00 H new ATOM 0 HG LEU A 55 2.833 0.579 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.102 2.391 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.597 2.808 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.670 2.310 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.566 0.008 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.102 -0.241 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.662 -1.304 1.636 1.00 0.00 H new ATOM 842 N PRO A 56 7.250 -2.172 2.001 1.00 0.00 N ATOM 843 CA PRO A 56 8.724 -2.260 1.888 1.00 0.00 C ATOM 844 C PRO A 56 9.327 -0.950 1.340 1.00 0.00 C ATOM 845 O PRO A 56 10.044 -0.957 0.343 1.00 0.00 O ATOM 846 CB PRO A 56 8.948 -3.467 0.919 1.00 0.00 C ATOM 847 CG PRO A 56 7.610 -4.139 0.831 1.00 0.00 C ATOM 848 CD PRO A 56 6.598 -3.041 0.995 1.00 0.00 C ATOM 0 HA PRO A 56 9.217 -2.406 2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.287 -3.130 -0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.708 -4.147 1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.488 -4.646 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.499 -4.895 1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.412 -2.514 0.059 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.637 -3.420 1.344 1.00 0.00 H new ATOM 856 N LEU A 57 9.063 0.161 2.060 1.00 0.00 N ATOM 857 CA LEU A 57 9.401 1.533 1.635 1.00 0.00 C ATOM 858 C LEU A 57 10.935 1.683 1.498 1.00 0.00 C ATOM 859 O LEU A 57 11.414 2.350 0.580 1.00 0.00 O ATOM 860 CB LEU A 57 8.805 2.568 2.669 1.00 0.00 C ATOM 861 CG LEU A 57 8.277 3.942 2.115 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.379 4.773 1.426 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.065 3.723 1.184 1.00 0.00 C ATOM 0 H LEU A 57 8.601 0.127 2.969 1.00 0.00 H new ATOM 0 HA LEU A 57 8.961 1.736 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.983 2.081 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.575 2.780 3.411 1.00 0.00 H new ATOM 0 HG LEU A 57 7.951 4.529 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.956 5.710 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.174 4.986 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.787 4.211 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.714 4.685 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.360 3.094 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.264 3.235 1.739 1.00 0.00 H new ATOM 875 N GLU A 58 11.681 1.014 2.402 1.00 0.00 N ATOM 876 CA GLU A 58 13.163 0.992 2.387 1.00 0.00 C ATOM 877 C GLU A 58 13.673 0.405 1.057 1.00 0.00 C ATOM 878 O GLU A 58 14.519 1.009 0.388 1.00 0.00 O ATOM 879 CB GLU A 58 13.694 0.144 3.577 1.00 0.00 C ATOM 880 CG GLU A 58 13.220 0.627 4.956 1.00 0.00 C ATOM 881 CD GLU A 58 13.520 -0.374 6.086 1.00 0.00 C ATOM 882 OE1 GLU A 58 12.676 -1.263 6.340 1.00 0.00 O ATOM 883 OE2 GLU A 58 14.599 -0.289 6.713 1.00 0.00 O ATOM 0 H GLU A 58 11.274 0.472 3.165 1.00 0.00 H new ATOM 0 HA GLU A 58 13.530 2.014 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.380 -0.891 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.784 0.152 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.700 1.578 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.147 0.813 4.919 1.00 0.00 H new ATOM 890 N LYS A 59 13.086 -0.746 0.665 1.00 0.00 N ATOM 891 CA LYS A 59 13.452 -1.457 -0.580 1.00 0.00 C ATOM 892 C LYS A 59 13.147 -0.567 -1.803 1.00 0.00 C ATOM 893 O LYS A 59 14.000 -0.387 -2.673 1.00 0.00 O ATOM 894 CB LYS A 59 12.690 -2.811 -0.695 1.00 0.00 C ATOM 895 CG LYS A 59 12.976 -3.606 -2.002 1.00 0.00 C ATOM 896 CD LYS A 59 12.192 -4.939 -2.102 1.00 0.00 C ATOM 897 CE LYS A 59 12.608 -5.966 -1.031 1.00 0.00 C ATOM 898 NZ LYS A 59 11.806 -7.215 -1.099 1.00 0.00 N ATOM 0 H LYS A 59 12.349 -1.207 1.199 1.00 0.00 H new ATOM 0 HA LYS A 59 14.520 -1.672 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.953 -3.435 0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.619 -2.617 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.725 -2.981 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.044 -3.817 -2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.126 -4.735 -2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.346 -5.371 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.663 -6.208 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.497 -5.520 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.124 -7.873 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.801 -6.991 -0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.931 -7.657 -2.032 1.00 0.00 H new ATOM 912 N TRP A 60 11.938 0.031 -1.789 1.00 0.00 N ATOM 913 CA TRP A 60 11.414 0.888 -2.878 1.00 0.00 C ATOM 914 C TRP A 60 12.326 2.095 -3.126 1.00 0.00 C ATOM 915 O TRP A 60 12.632 2.427 -4.278 1.00 0.00 O ATOM 916 CB TRP A 60 9.985 1.380 -2.528 1.00 0.00 C ATOM 917 CG TRP A 60 8.930 0.293 -2.438 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.080 -1.056 -2.645 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.550 0.493 -2.135 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.886 -1.695 -2.461 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.930 -0.769 -2.154 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.782 1.618 -1.827 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.580 -0.938 -1.885 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.440 1.453 -1.573 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.849 0.185 -1.606 1.00 0.00 C ATOM 0 H TRP A 60 11.287 -0.068 -1.010 1.00 0.00 H new ATOM 0 HA TRP A 60 11.383 0.289 -3.788 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.023 1.907 -1.574 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.673 2.105 -3.280 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.007 -1.541 -2.914 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.734 -2.700 -2.540 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.233 2.599 -1.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.124 -1.917 -1.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.833 2.316 -1.344 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.792 0.090 -1.407 1.00 0.00 H new ATOM 936 N THR A 61 12.765 2.715 -2.019 1.00 0.00 N ATOM 937 CA THR A 61 13.640 3.892 -2.048 1.00 0.00 C ATOM 938 C THR A 61 14.994 3.531 -2.677 1.00 0.00 C ATOM 939 O THR A 61 15.481 4.257 -3.545 1.00 0.00 O ATOM 940 CB THR A 61 13.847 4.479 -0.612 1.00 0.00 C ATOM 941 OG1 THR A 61 12.573 4.821 -0.041 1.00 0.00 O ATOM 942 CG2 THR A 61 14.747 5.728 -0.601 1.00 0.00 C ATOM 0 H THR A 61 12.521 2.411 -1.077 1.00 0.00 H new ATOM 0 HA THR A 61 13.158 4.657 -2.657 1.00 0.00 H new ATOM 0 HB THR A 61 14.344 3.707 -0.024 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.095 4.002 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.854 6.090 0.421 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.729 5.473 -1.000 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.296 6.507 -1.216 1.00 0.00 H new ATOM 950 N GLN A 62 15.546 2.357 -2.304 1.00 0.00 N ATOM 951 CA GLN A 62 16.869 1.923 -2.784 1.00 0.00 C ATOM 952 C GLN A 62 16.810 1.643 -4.292 1.00 0.00 C ATOM 953 O GLN A 62 17.697 2.052 -5.026 1.00 0.00 O ATOM 954 CB GLN A 62 17.355 0.662 -2.026 1.00 0.00 C ATOM 955 CG GLN A 62 17.556 0.871 -0.518 1.00 0.00 C ATOM 956 CD GLN A 62 18.008 -0.402 0.204 1.00 0.00 C ATOM 957 OE1 GLN A 62 17.187 -1.210 0.638 1.00 0.00 O ATOM 958 NE2 GLN A 62 19.313 -0.580 0.344 1.00 0.00 N ATOM 0 H GLN A 62 15.094 1.696 -1.673 1.00 0.00 H new ATOM 0 HA GLN A 62 17.582 2.725 -2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.632 -0.140 -2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.296 0.329 -2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.297 1.655 -0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.623 1.221 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.965 0.111 -0.028 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.666 -1.408 0.824 1.00 0.00 H new ATOM 967 N GLU A 63 15.721 0.972 -4.734 1.00 0.00 N ATOM 968 CA GLU A 63 15.480 0.643 -6.162 1.00 0.00 C ATOM 969 C GLU A 63 15.490 1.918 -7.028 1.00 0.00 C ATOM 970 O GLU A 63 16.086 1.940 -8.107 1.00 0.00 O ATOM 971 CB GLU A 63 14.127 -0.103 -6.327 1.00 0.00 C ATOM 972 CG GLU A 63 14.059 -1.486 -5.656 1.00 0.00 C ATOM 973 CD GLU A 63 12.667 -2.131 -5.763 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.805 -1.875 -4.897 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.411 -2.873 -6.738 1.00 0.00 O ATOM 0 H GLU A 63 14.983 0.642 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 63 16.286 -0.010 -6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.333 0.522 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.923 -0.222 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.796 -2.145 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.330 -1.389 -4.605 1.00 0.00 H new ATOM 982 N VAL A 64 14.850 2.975 -6.510 1.00 0.00 N ATOM 983 CA VAL A 64 14.803 4.296 -7.161 1.00 0.00 C ATOM 984 C VAL A 64 16.230 4.880 -7.340 1.00 0.00 C ATOM 985 O VAL A 64 16.622 5.239 -8.461 1.00 0.00 O ATOM 986 CB VAL A 64 13.868 5.276 -6.353 1.00 0.00 C ATOM 987 CG1 VAL A 64 14.022 6.751 -6.794 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.388 4.815 -6.456 1.00 0.00 C ATOM 0 H VAL A 64 14.347 2.940 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 64 14.377 4.176 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 64 14.182 5.233 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.355 7.379 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 64 15.052 7.071 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.768 6.844 -7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.754 5.500 -5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.080 4.811 -7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.290 3.810 -6.045 1.00 0.00 H new ATOM 998 N ASN A 65 17.003 4.939 -6.238 1.00 0.00 N ATOM 999 CA ASN A 65 18.387 5.490 -6.232 1.00 0.00 C ATOM 1000 C ASN A 65 19.390 4.611 -7.008 1.00 0.00 C ATOM 1001 O ASN A 65 20.415 5.118 -7.490 1.00 0.00 O ATOM 1002 CB ASN A 65 18.886 5.729 -4.782 1.00 0.00 C ATOM 1003 CG ASN A 65 18.069 6.805 -4.063 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.124 6.398 -3.235 1.00 0.00 O flip ATOM 1005 ND2 ASN A 65 18.312 7.996 -4.230 1.00 0.00 N flip ATOM 0 H ASN A 65 16.693 4.608 -5.324 1.00 0.00 H new ATOM 0 HA ASN A 65 18.335 6.446 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.830 4.796 -4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.935 6.025 -4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 65 19.048 8.281 -4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.778 8.701 -3.723 1.00 0.00 H new ATOM 1012 N ASP A 66 19.100 3.303 -7.132 1.00 0.00 N ATOM 1013 CA ASP A 66 19.944 2.348 -7.892 1.00 0.00 C ATOM 1014 C ASP A 66 19.597 2.345 -9.393 1.00 0.00 C ATOM 1015 O ASP A 66 20.262 1.664 -10.183 1.00 0.00 O ATOM 1016 CB ASP A 66 19.783 0.900 -7.333 1.00 0.00 C ATOM 1017 CG ASP A 66 20.444 0.662 -5.963 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.627 1.026 -5.790 1.00 0.00 O ATOM 1019 OD2 ASP A 66 19.801 0.086 -5.055 1.00 0.00 O ATOM 0 H ASP A 66 18.276 2.874 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 66 20.976 2.677 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.720 0.672 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 66 20.206 0.198 -8.052 1.00 0.00 H new ATOM 1024 N GLY A 67 18.550 3.096 -9.770 1.00 0.00 N ATOM 1025 CA GLY A 67 18.036 3.098 -11.141 1.00 0.00 C ATOM 1026 C GLY A 67 17.368 1.787 -11.560 1.00 0.00 C ATOM 1027 O GLY A 67 17.189 1.532 -12.756 1.00 0.00 O ATOM 0 H GLY A 67 18.042 3.713 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.316 3.910 -11.247 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.858 3.309 -11.825 1.00 0.00 H new ATOM 1031 N LYS A 68 17.021 0.945 -10.570 1.00 0.00 N ATOM 1032 CA LYS A 68 16.275 -0.310 -10.797 1.00 0.00 C ATOM 1033 C LYS A 68 14.796 -0.001 -11.074 1.00 0.00 C ATOM 1034 O LYS A 68 14.146 -0.669 -11.878 1.00 0.00 O ATOM 1035 CB LYS A 68 16.418 -1.247 -9.563 1.00 0.00 C ATOM 1036 CG LYS A 68 17.867 -1.647 -9.159 1.00 0.00 C ATOM 1037 CD LYS A 68 18.573 -2.641 -10.125 1.00 0.00 C ATOM 1038 CE LYS A 68 19.184 -1.989 -11.382 1.00 0.00 C ATOM 1039 NZ LYS A 68 20.232 -0.992 -11.043 1.00 0.00 N ATOM 0 H LYS A 68 17.249 1.114 -9.590 1.00 0.00 H new ATOM 0 HA LYS A 68 16.690 -0.819 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.948 -0.760 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.855 -2.159 -9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.471 -0.742 -9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.840 -2.090 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.362 -3.158 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.853 -3.397 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.613 -2.763 -12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.396 -1.504 -11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.839 -0.831 -11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.782 -0.097 -10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.809 -1.349 -10.255 1.00 0.00 H new ATOM 1053 N ALA A 69 14.307 1.044 -10.410 1.00 0.00 N ATOM 1054 CA ALA A 69 12.930 1.521 -10.510 1.00 0.00 C ATOM 1055 C ALA A 69 12.950 3.040 -10.676 1.00 0.00 C ATOM 1056 O ALA A 69 13.901 3.706 -10.246 1.00 0.00 O ATOM 1057 CB ALA A 69 12.147 1.124 -9.251 1.00 0.00 C ATOM 0 H ALA A 69 14.875 1.598 -9.769 1.00 0.00 H new ATOM 0 HA ALA A 69 12.438 1.070 -11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.121 1.483 -9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.145 0.039 -9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.618 1.568 -8.374 1.00 0.00 H new ATOM 1063 N THR A 70 11.910 3.576 -11.316 1.00 0.00 N ATOM 1064 CA THR A 70 11.708 5.023 -11.464 1.00 0.00 C ATOM 1065 C THR A 70 10.965 5.561 -10.225 1.00 0.00 C ATOM 1066 O THR A 70 10.257 4.797 -9.547 1.00 0.00 O ATOM 1067 CB THR A 70 10.896 5.320 -12.774 1.00 0.00 C ATOM 1068 OG1 THR A 70 11.492 4.619 -13.881 1.00 0.00 O ATOM 1069 CG2 THR A 70 10.834 6.824 -13.113 1.00 0.00 C ATOM 0 H THR A 70 11.177 3.016 -11.751 1.00 0.00 H new ATOM 0 HA THR A 70 12.673 5.524 -11.542 1.00 0.00 H new ATOM 0 HB THR A 70 9.876 4.978 -12.598 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.983 4.804 -14.698 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.260 6.967 -14.028 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.354 7.362 -12.296 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.845 7.207 -13.255 1.00 0.00 H new ATOM 1077 N THR A 71 11.140 6.871 -9.935 1.00 0.00 N ATOM 1078 CA THR A 71 10.412 7.581 -8.862 1.00 0.00 C ATOM 1079 C THR A 71 8.880 7.402 -9.032 1.00 0.00 C ATOM 1080 O THR A 71 8.182 7.070 -8.079 1.00 0.00 O ATOM 1081 CB THR A 71 10.753 9.116 -8.869 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.468 9.665 -10.176 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.214 9.398 -8.492 1.00 0.00 C ATOM 0 H THR A 71 11.794 7.467 -10.443 1.00 0.00 H new ATOM 0 HA THR A 71 10.727 7.150 -7.911 1.00 0.00 H new ATOM 0 HB THR A 71 10.131 9.594 -8.112 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.678 10.622 -10.182 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.394 10.473 -8.513 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.411 9.016 -7.490 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.875 8.905 -9.205 1.00 0.00 H new ATOM 1091 N GLU A 72 8.407 7.661 -10.274 1.00 0.00 N ATOM 1092 CA GLU A 72 7.034 7.362 -10.781 1.00 0.00 C ATOM 1093 C GLU A 72 6.411 6.079 -10.163 1.00 0.00 C ATOM 1094 O GLU A 72 5.354 6.130 -9.514 1.00 0.00 O ATOM 1095 CB GLU A 72 7.129 7.221 -12.343 1.00 0.00 C ATOM 1096 CG GLU A 72 5.871 6.712 -13.090 1.00 0.00 C ATOM 1097 CD GLU A 72 4.678 7.684 -13.089 1.00 0.00 C ATOM 1098 OE1 GLU A 72 4.844 8.848 -13.511 1.00 0.00 O ATOM 1099 OE2 GLU A 72 3.558 7.279 -12.710 1.00 0.00 O ATOM 0 H GLU A 72 8.991 8.102 -10.985 1.00 0.00 H new ATOM 0 HA GLU A 72 6.374 8.178 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.394 8.195 -12.754 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.953 6.545 -12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.143 6.495 -14.123 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.555 5.771 -12.639 1.00 0.00 H new ATOM 1106 N GLN A 73 7.154 4.970 -10.310 1.00 0.00 N ATOM 1107 CA GLN A 73 6.667 3.595 -10.042 1.00 0.00 C ATOM 1108 C GLN A 73 6.145 3.393 -8.595 1.00 0.00 C ATOM 1109 O GLN A 73 5.225 2.596 -8.376 1.00 0.00 O ATOM 1110 CB GLN A 73 7.781 2.567 -10.381 1.00 0.00 C ATOM 1111 CG GLN A 73 7.367 1.080 -10.243 1.00 0.00 C ATOM 1112 CD GLN A 73 8.391 0.098 -10.810 1.00 0.00 C ATOM 1113 OE1 GLN A 73 8.321 -0.285 -11.977 1.00 0.00 O ATOM 1114 NE2 GLN A 73 9.344 -0.321 -9.997 1.00 0.00 N ATOM 0 H GLN A 73 8.125 4.997 -10.623 1.00 0.00 H new ATOM 0 HA GLN A 73 5.806 3.431 -10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.116 2.741 -11.403 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.635 2.752 -9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.206 0.854 -9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.414 0.930 -10.750 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.377 0.014 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.047 -0.980 -10.332 1.00 0.00 H new ATOM 1123 N TYR A 74 6.717 4.119 -7.614 1.00 0.00 N ATOM 1124 CA TYR A 74 6.320 3.971 -6.188 1.00 0.00 C ATOM 1125 C TYR A 74 5.773 5.273 -5.581 1.00 0.00 C ATOM 1126 O TYR A 74 4.967 5.222 -4.648 1.00 0.00 O ATOM 1127 CB TYR A 74 7.520 3.460 -5.349 1.00 0.00 C ATOM 1128 CG TYR A 74 8.048 2.086 -5.790 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.204 0.971 -5.829 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.381 1.903 -6.166 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.668 -0.269 -6.221 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.847 0.663 -6.559 1.00 0.00 C ATOM 1133 CZ TYR A 74 8.992 -0.416 -6.586 1.00 0.00 C ATOM 1134 OH TYR A 74 9.465 -1.647 -6.987 1.00 0.00 O ATOM 0 H TYR A 74 7.450 4.810 -7.775 1.00 0.00 H new ATOM 0 HA TYR A 74 5.510 3.242 -6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.330 4.187 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.221 3.405 -4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.168 1.082 -5.547 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.058 2.744 -6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.001 -1.118 -6.242 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.881 0.540 -6.845 1.00 0.00 H new ATOM 0 HH TYR A 74 10.417 -1.575 -7.210 1.00 0.00 H new ATOM 1144 N PHE A 75 6.206 6.437 -6.090 1.00 0.00 N ATOM 1145 CA PHE A 75 5.910 7.748 -5.461 1.00 0.00 C ATOM 1146 C PHE A 75 4.774 8.507 -6.189 1.00 0.00 C ATOM 1147 O PHE A 75 4.507 9.663 -5.856 1.00 0.00 O ATOM 1148 CB PHE A 75 7.190 8.623 -5.416 1.00 0.00 C ATOM 1149 CG PHE A 75 8.381 8.025 -4.659 1.00 0.00 C ATOM 1150 CD1 PHE A 75 8.218 7.415 -3.416 1.00 0.00 C ATOM 1151 CD2 PHE A 75 9.671 8.092 -5.188 1.00 0.00 C ATOM 1152 CE1 PHE A 75 9.303 6.894 -2.730 1.00 0.00 C ATOM 1153 CE2 PHE A 75 10.754 7.578 -4.501 1.00 0.00 C ATOM 1154 CZ PHE A 75 10.573 6.975 -3.274 1.00 0.00 C ATOM 0 H PHE A 75 6.766 6.504 -6.940 1.00 0.00 H new ATOM 0 HA PHE A 75 5.569 7.547 -4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.502 8.830 -6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.937 9.580 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.232 7.348 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.825 8.554 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.157 6.424 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.744 7.649 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.419 6.568 -2.740 1.00 0.00 H new ATOM 1164 N VAL A 76 4.104 7.870 -7.174 1.00 0.00 N ATOM 1165 CA VAL A 76 2.860 8.418 -7.767 1.00 0.00 C ATOM 1166 C VAL A 76 1.687 7.712 -7.106 1.00 0.00 C ATOM 1167 O VAL A 76 1.643 6.498 -7.092 1.00 0.00 O ATOM 1168 CB VAL A 76 2.800 8.269 -9.327 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.395 8.590 -9.903 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.864 9.169 -9.978 1.00 0.00 C ATOM 0 H VAL A 76 4.400 6.980 -7.575 1.00 0.00 H new ATOM 0 HA VAL A 76 2.827 9.492 -7.582 1.00 0.00 H new ATOM 0 HB VAL A 76 3.006 7.225 -9.563 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.410 8.471 -10.986 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.661 7.908 -9.473 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.126 9.617 -9.654 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.818 9.062 -11.062 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.676 10.208 -9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.853 8.876 -9.626 1.00 0.00 H new ATOM 1180 N LEU A 77 0.744 8.507 -6.603 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.311 8.083 -5.665 1.00 0.00 C ATOM 1182 C LEU A 77 -1.173 6.903 -6.160 1.00 0.00 C ATOM 1183 O LEU A 77 -1.650 6.121 -5.342 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.200 9.293 -5.332 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.433 10.544 -4.811 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.391 11.704 -4.549 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.426 10.215 -3.566 1.00 0.00 C ATOM 0 H LEU A 77 0.686 9.497 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 77 0.195 7.711 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.758 9.573 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.931 8.993 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 77 0.257 10.857 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.829 12.565 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.903 11.969 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.125 11.408 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.945 11.114 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.218 9.851 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.157 9.448 -3.821 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.370 6.783 -7.486 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.152 5.666 -8.071 1.00 0.00 C ATOM 1201 C LYS A 78 -1.326 4.360 -8.052 1.00 0.00 C ATOM 1202 O LYS A 78 -1.861 3.285 -7.778 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.620 6.012 -9.515 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.482 6.203 -10.543 1.00 0.00 C ATOM 1205 CD LYS A 78 -1.985 6.652 -11.932 1.00 0.00 C ATOM 1206 CE LYS A 78 -0.855 6.683 -12.975 1.00 0.00 C ATOM 1207 NZ LYS A 78 -0.308 5.324 -13.251 1.00 0.00 N ATOM 0 H LYS A 78 -1.002 7.440 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.043 5.514 -7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.278 5.218 -9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.214 6.925 -9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.778 6.943 -10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.935 5.266 -10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.770 5.975 -12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.431 7.643 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.230 7.117 -13.902 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.053 7.331 -12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.327 5.366 -14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.222 4.988 -12.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.091 4.669 -13.450 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.011 4.489 -8.319 1.00 0.00 N ATOM 1222 CA ASN A 79 0.944 3.356 -8.333 1.00 0.00 C ATOM 1223 C ASN A 79 1.253 2.915 -6.891 1.00 0.00 C ATOM 1224 O ASN A 79 1.376 1.723 -6.607 1.00 0.00 O ATOM 1225 CB ASN A 79 2.258 3.756 -9.062 1.00 0.00 C ATOM 1226 CG ASN A 79 2.060 4.207 -10.514 1.00 0.00 C ATOM 1227 OD1 ASN A 79 1.119 3.793 -11.189 1.00 0.00 O ATOM 1228 ND2 ASN A 79 2.946 5.059 -10.999 1.00 0.00 N ATOM 0 H ASN A 79 0.424 5.387 -8.533 1.00 0.00 H new ATOM 0 HA ASN A 79 0.490 2.525 -8.873 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.738 4.561 -8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.941 2.907 -9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.861 5.392 -11.959 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.715 5.383 -10.413 1.00 0.00 H new ATOM 1235 N LEU A 80 1.365 3.916 -6.001 1.00 0.00 N ATOM 1236 CA LEU A 80 1.557 3.734 -4.558 1.00 0.00 C ATOM 1237 C LEU A 80 0.370 2.952 -3.987 1.00 0.00 C ATOM 1238 O LEU A 80 0.553 1.897 -3.391 1.00 0.00 O ATOM 1239 CB LEU A 80 1.680 5.122 -3.857 1.00 0.00 C ATOM 1240 CG LEU A 80 1.813 5.112 -2.297 1.00 0.00 C ATOM 1241 CD1 LEU A 80 3.107 4.400 -1.836 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.709 6.542 -1.715 1.00 0.00 C ATOM 0 H LEU A 80 1.323 4.897 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 80 2.475 3.175 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.548 5.636 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.804 5.715 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 80 0.976 4.536 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.162 4.414 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.098 3.368 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.973 4.916 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.805 6.501 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.506 7.161 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.743 6.972 -1.978 1.00 0.00 H new ATOM 1254 N ALA A 81 -0.853 3.453 -4.266 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.112 2.854 -3.773 1.00 0.00 C ATOM 1256 C ALA A 81 -2.328 1.455 -4.358 1.00 0.00 C ATOM 1257 O ALA A 81 -2.898 0.587 -3.696 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.306 3.762 -4.096 1.00 0.00 C ATOM 0 H ALA A 81 -0.995 4.284 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.033 2.756 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.223 3.303 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.166 4.731 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.379 3.897 -5.175 1.00 0.00 H new ATOM 1264 N ALA A 82 -1.837 1.241 -5.592 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.922 -0.060 -6.271 1.00 0.00 C ATOM 1266 C ALA A 82 -1.010 -1.086 -5.573 1.00 0.00 C ATOM 1267 O ALA A 82 -1.388 -2.244 -5.423 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.555 0.080 -7.757 1.00 0.00 C ATOM 0 H ALA A 82 -1.372 1.963 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.950 -0.418 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.624 -0.894 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.244 0.775 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.537 0.459 -7.846 1.00 0.00 H new ATOM 1274 N ARG A 83 0.185 -0.626 -5.127 1.00 0.00 N ATOM 1275 CA ARG A 83 1.133 -1.463 -4.361 1.00 0.00 C ATOM 1276 C ARG A 83 0.564 -1.807 -2.977 1.00 0.00 C ATOM 1277 O ARG A 83 0.698 -2.935 -2.518 1.00 0.00 O ATOM 1278 CB ARG A 83 2.516 -0.761 -4.194 1.00 0.00 C ATOM 1279 CG ARG A 83 3.380 -0.651 -5.474 1.00 0.00 C ATOM 1280 CD ARG A 83 3.531 -2.005 -6.202 1.00 0.00 C ATOM 1281 NE ARG A 83 3.903 -3.110 -5.287 1.00 0.00 N ATOM 1282 CZ ARG A 83 3.469 -4.376 -5.392 1.00 0.00 C ATOM 1283 NH1 ARG A 83 2.708 -4.773 -6.407 1.00 0.00 N ATOM 1284 NH2 ARG A 83 3.809 -5.262 -4.469 1.00 0.00 N ATOM 0 H ARG A 83 0.514 0.326 -5.288 1.00 0.00 H new ATOM 0 HA ARG A 83 1.278 -2.382 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.347 0.244 -3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.087 -1.302 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.930 0.074 -6.152 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.367 -0.271 -5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.593 -2.251 -6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.289 -1.912 -6.979 1.00 0.00 H new ATOM 0 HE ARG A 83 4.537 -2.892 -4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.439 -4.109 -7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.393 -5.742 -6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.397 -4.981 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.483 -6.226 -4.542 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.069 -0.811 -2.330 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.667 -0.967 -0.987 1.00 0.00 C ATOM 1300 C ILE A 84 -1.780 -2.027 -1.030 1.00 0.00 C ATOM 1301 O ILE A 84 -1.760 -2.989 -0.268 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.254 0.400 -0.464 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.127 1.483 -0.392 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -1.956 0.230 0.910 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.607 2.905 -0.205 1.00 0.00 C ATOM 0 H ILE A 84 -0.181 0.124 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 84 0.117 -1.288 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.011 0.736 -1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.543 1.232 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.461 1.433 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.348 1.192 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.775 -0.483 0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.238 -0.139 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.251 3.577 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.251 3.184 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.167 2.980 0.727 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.705 -1.844 -1.988 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.881 -2.721 -2.191 1.00 0.00 C ATOM 1319 C ASP A 85 -3.462 -4.151 -2.571 1.00 0.00 C ATOM 1320 O ASP A 85 -4.095 -5.127 -2.145 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.794 -2.112 -3.281 1.00 0.00 C ATOM 1322 CG ASP A 85 -6.123 -2.864 -3.470 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.905 -2.952 -2.498 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -6.390 -3.376 -4.578 1.00 0.00 O ATOM 0 H ASP A 85 -2.660 -1.073 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.430 -2.786 -1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.008 -1.074 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.255 -2.102 -4.229 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.386 -4.246 -3.372 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.751 -5.510 -3.761 1.00 0.00 C ATOM 1331 C GLU A 86 -1.264 -6.257 -2.497 1.00 0.00 C ATOM 1332 O GLU A 86 -1.482 -7.460 -2.355 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.574 -5.194 -4.739 1.00 0.00 C ATOM 1334 CG GLU A 86 -0.171 -6.322 -5.707 1.00 0.00 C ATOM 1335 CD GLU A 86 0.641 -7.472 -5.075 1.00 0.00 C ATOM 1336 OE1 GLU A 86 1.873 -7.335 -4.938 1.00 0.00 O ATOM 1337 OE2 GLU A 86 0.059 -8.521 -4.733 1.00 0.00 O ATOM 0 H GLU A 86 -1.927 -3.428 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.462 -6.160 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.844 -4.318 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.300 -4.923 -4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.075 -6.738 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.413 -5.890 -6.520 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.648 -5.500 -1.566 1.00 0.00 N ATOM 1345 CA LEU A 87 -0.123 -6.040 -0.294 1.00 0.00 C ATOM 1346 C LEU A 87 -1.254 -6.340 0.713 1.00 0.00 C ATOM 1347 O LEU A 87 -1.090 -7.201 1.567 1.00 0.00 O ATOM 1348 CB LEU A 87 0.930 -5.074 0.321 1.00 0.00 C ATOM 1349 CG LEU A 87 2.227 -4.862 -0.528 1.00 0.00 C ATOM 1350 CD1 LEU A 87 3.160 -3.826 0.125 1.00 0.00 C ATOM 1351 CD2 LEU A 87 2.960 -6.201 -0.790 1.00 0.00 C ATOM 0 H LEU A 87 -0.500 -4.497 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 87 0.368 -6.987 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.458 -4.104 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.217 -5.454 1.302 1.00 0.00 H new ATOM 0 HG LEU A 87 1.923 -4.465 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.052 -3.701 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.641 -2.871 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.448 -4.171 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.856 -6.015 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.241 -6.654 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.300 -6.877 -1.333 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.400 -5.626 0.612 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.592 -5.898 1.455 1.00 0.00 C ATOM 1365 C VAL A 88 -4.220 -7.236 1.031 1.00 0.00 C ATOM 1366 O VAL A 88 -4.572 -8.071 1.875 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.663 -4.732 1.379 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.927 -5.060 2.214 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.056 -3.379 1.834 1.00 0.00 C ATOM 0 H VAL A 88 -2.526 -4.856 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.264 -5.955 2.493 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.962 -4.643 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.638 -4.237 2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.386 -5.973 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.647 -5.201 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.815 -2.600 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.709 -3.464 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.217 -3.121 1.188 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.282 -7.438 -0.294 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.841 -8.652 -0.911 1.00 0.00 C ATOM 1381 C ALA A 89 -3.926 -9.858 -0.637 1.00 0.00 C ATOM 1382 O ALA A 89 -4.393 -10.942 -0.287 1.00 0.00 O ATOM 1383 CB ALA A 89 -5.011 -8.441 -2.424 1.00 0.00 C ATOM 0 H ALA A 89 -3.943 -6.758 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.819 -8.853 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.425 -9.344 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.687 -7.605 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.041 -8.225 -2.872 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.605 -9.631 -0.782 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.566 -10.651 -0.530 1.00 0.00 C ATOM 1391 C ALA A 90 -1.492 -11.024 0.965 1.00 0.00 C ATOM 1392 O ALA A 90 -1.118 -12.147 1.314 1.00 0.00 O ATOM 1393 CB ALA A 90 -0.196 -10.155 -1.034 1.00 0.00 C ATOM 0 H ALA A 90 -2.227 -8.731 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.839 -11.551 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.560 -10.916 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.251 -9.960 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.073 -9.237 -0.512 1.00 0.00 H new ATOM 1399 N LYS A 91 -1.851 -10.061 1.834 1.00 0.00 N ATOM 1400 CA LYS A 91 -1.906 -10.255 3.300 1.00 0.00 C ATOM 1401 C LYS A 91 -3.133 -11.103 3.675 1.00 0.00 C ATOM 1402 O LYS A 91 -3.047 -12.014 4.513 1.00 0.00 O ATOM 1403 CB LYS A 91 -1.997 -8.881 4.019 1.00 0.00 C ATOM 1404 CG LYS A 91 -2.108 -8.942 5.561 1.00 0.00 C ATOM 1405 CD LYS A 91 -2.463 -7.575 6.198 1.00 0.00 C ATOM 1406 CE LYS A 91 -3.821 -7.009 5.722 1.00 0.00 C ATOM 1407 NZ LYS A 91 -4.957 -7.923 6.016 1.00 0.00 N ATOM 0 H LYS A 91 -2.113 -9.120 1.540 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.998 -10.769 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.115 -8.295 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.863 -8.344 3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.868 -9.673 5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.163 -9.294 5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.483 -7.682 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.677 -6.858 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.999 -6.048 6.204 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.777 -6.824 4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.847 -7.481 5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.821 -8.820 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.999 -8.107 7.039 1.00 0.00 H new ATOM 1421 N GLY A 92 -4.267 -10.806 3.017 1.00 0.00 N ATOM 1422 CA GLY A 92 -5.560 -11.401 3.359 1.00 0.00 C ATOM 1423 C GLY A 92 -5.836 -12.694 2.619 1.00 0.00 C ATOM 1424 O GLY A 92 -6.743 -13.429 3.007 1.00 0.00 O ATOM 0 H GLY A 92 -4.308 -10.149 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.593 -11.590 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.352 -10.686 3.136 1.00 0.00 H new ATOM 1428 N ALA A 93 -5.046 -12.950 1.550 1.00 0.00 N ATOM 1429 CA ALA A 93 -5.180 -14.131 0.666 1.00 0.00 C ATOM 1430 C ALA A 93 -5.318 -15.443 1.450 1.00 0.00 C ATOM 1431 O ALA A 93 -6.274 -16.205 1.241 1.00 0.00 O ATOM 1432 CB ALA A 93 -3.976 -14.208 -0.295 1.00 0.00 C ATOM 0 H ALA A 93 -4.284 -12.331 1.273 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.100 -14.004 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.082 -15.079 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.939 -13.305 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.055 -14.294 0.282 1.00 0.00 H new ATOM 1438 N LEU A 94 -4.350 -15.668 2.369 1.00 0.00 N ATOM 1439 CA LEU A 94 -4.283 -16.858 3.239 1.00 0.00 C ATOM 1440 C LEU A 94 -4.253 -18.169 2.415 1.00 0.00 C ATOM 1441 O LEU A 94 -4.035 -18.149 1.197 1.00 0.00 O ATOM 1442 CB LEU A 94 -5.449 -16.828 4.276 1.00 0.00 C ATOM 1443 CG LEU A 94 -5.496 -15.568 5.208 1.00 0.00 C ATOM 1444 CD1 LEU A 94 -6.765 -15.557 6.088 1.00 0.00 C ATOM 1445 CD2 LEU A 94 -4.211 -15.440 6.063 1.00 0.00 C ATOM 0 H LEU A 94 -3.583 -15.015 2.527 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.345 -16.833 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.393 -16.893 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.378 -17.718 4.902 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.543 -14.692 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.762 -14.669 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.649 -15.546 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.781 -16.448 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.281 -14.555 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.101 -16.326 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.345 -15.349 5.407 1.00 0.00 H new ATOM 1457 N GLU A 95 -4.445 -19.315 3.085 1.00 0.00 N ATOM 1458 CA GLU A 95 -4.465 -20.632 2.421 1.00 0.00 C ATOM 1459 C GLU A 95 -5.908 -21.076 2.094 1.00 0.00 C ATOM 1460 O GLU A 95 -6.194 -22.268 1.973 1.00 0.00 O ATOM 1461 CB GLU A 95 -3.703 -21.671 3.286 1.00 0.00 C ATOM 1462 CG GLU A 95 -2.220 -21.312 3.554 1.00 0.00 C ATOM 1463 CD GLU A 95 -1.410 -21.040 2.269 1.00 0.00 C ATOM 1464 OE1 GLU A 95 -1.169 -21.993 1.494 1.00 0.00 O ATOM 1465 OE2 GLU A 95 -1.037 -19.871 2.015 1.00 0.00 O ATOM 0 H GLU A 95 -4.590 -19.358 4.094 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.949 -20.555 1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.217 -21.778 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.746 -22.641 2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.178 -20.431 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.751 -22.128 4.104 1.00 0.00 H new ATOM 1472 N HIS A 96 -6.807 -20.091 1.916 1.00 0.00 N ATOM 1473 CA HIS A 96 -8.174 -20.296 1.399 1.00 0.00 C ATOM 1474 C HIS A 96 -8.441 -19.278 0.279 1.00 0.00 C ATOM 1475 O HIS A 96 -8.294 -18.073 0.495 1.00 0.00 O ATOM 1476 CB HIS A 96 -9.244 -20.165 2.531 1.00 0.00 C ATOM 1477 CG HIS A 96 -9.264 -21.323 3.504 1.00 0.00 C ATOM 1478 ND1 HIS A 96 -9.292 -21.164 4.874 1.00 0.00 N ATOM 1479 CD2 HIS A 96 -9.292 -22.664 3.287 1.00 0.00 C ATOM 1480 CE1 HIS A 96 -9.327 -22.347 5.457 1.00 0.00 C ATOM 1481 NE2 HIS A 96 -9.328 -23.274 4.518 1.00 0.00 N ATOM 0 H HIS A 96 -6.602 -19.115 2.130 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.252 -21.309 1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.060 -19.244 3.084 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.229 -20.072 2.075 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.287 -23.158 2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.351 -22.526 6.522 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.352 -24.281 4.680 1.00 0.00 H new ATOM 1490 N HIS A 97 -8.793 -19.782 -0.922 1.00 0.00 N ATOM 1491 CA HIS A 97 -9.126 -18.942 -2.095 1.00 0.00 C ATOM 1492 C HIS A 97 -10.333 -18.046 -1.783 1.00 0.00 C ATOM 1493 O HIS A 97 -11.329 -18.521 -1.230 1.00 0.00 O ATOM 1494 CB HIS A 97 -9.445 -19.820 -3.335 1.00 0.00 C ATOM 1495 CG HIS A 97 -8.288 -20.640 -3.847 1.00 0.00 C ATOM 1496 ND1 HIS A 97 -8.362 -22.001 -4.052 1.00 0.00 N ATOM 1497 CD2 HIS A 97 -7.051 -20.269 -4.256 1.00 0.00 C ATOM 1498 CE1 HIS A 97 -7.226 -22.431 -4.565 1.00 0.00 C ATOM 1499 NE2 HIS A 97 -6.415 -21.402 -4.700 1.00 0.00 N ATOM 0 H HIS A 97 -8.855 -20.783 -1.108 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.259 -18.321 -2.318 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -10.265 -20.493 -3.084 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -9.797 -19.174 -4.139 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.642 -19.270 -4.237 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.999 -23.453 -4.830 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.467 -21.441 -5.074 1.00 0.00 H new ATOM 1508 N HIS A 98 -10.227 -16.753 -2.113 1.00 0.00 N ATOM 1509 CA HIS A 98 -11.313 -15.790 -1.882 1.00 0.00 C ATOM 1510 C HIS A 98 -12.334 -15.890 -3.018 1.00 0.00 C ATOM 1511 O HIS A 98 -13.428 -16.416 -2.813 1.00 0.00 O ATOM 1512 CB HIS A 98 -10.750 -14.347 -1.727 1.00 0.00 C ATOM 1513 CG HIS A 98 -10.014 -14.117 -0.440 1.00 0.00 C ATOM 1514 ND1 HIS A 98 -10.096 -12.941 0.272 1.00 0.00 N ATOM 1515 CD2 HIS A 98 -9.204 -14.927 0.274 1.00 0.00 C ATOM 1516 CE1 HIS A 98 -9.372 -13.038 1.363 1.00 0.00 C ATOM 1517 NE2 HIS A 98 -8.823 -14.237 1.387 1.00 0.00 N ATOM 0 H HIS A 98 -9.396 -16.347 -2.543 1.00 0.00 H new ATOM 0 HA HIS A 98 -11.820 -16.031 -0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -10.079 -14.138 -2.560 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -11.574 -13.637 -1.795 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -8.912 -15.933 0.013 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -9.248 -12.269 2.111 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -8.211 -14.592 2.121 1.00 0.00 H new ATOM 1526 N HIS A 99 -11.930 -15.429 -4.222 1.00 0.00 N ATOM 1527 CA HIS A 99 -12.785 -15.332 -5.434 1.00 0.00 C ATOM 1528 C HIS A 99 -13.792 -14.162 -5.300 1.00 0.00 C ATOM 1529 O HIS A 99 -13.852 -13.286 -6.168 1.00 0.00 O ATOM 1530 CB HIS A 99 -13.484 -16.677 -5.785 1.00 0.00 C ATOM 1531 CG HIS A 99 -14.165 -16.700 -7.125 1.00 0.00 C ATOM 1532 ND1 HIS A 99 -15.525 -16.869 -7.283 1.00 0.00 N ATOM 1533 CD2 HIS A 99 -13.660 -16.575 -8.377 1.00 0.00 C ATOM 1534 CE1 HIS A 99 -15.822 -16.865 -8.567 1.00 0.00 C ATOM 1535 NE2 HIS A 99 -14.711 -16.681 -9.252 1.00 0.00 N ATOM 0 H HIS A 99 -10.977 -15.105 -4.386 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.131 -15.114 -6.278 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -12.742 -17.475 -5.756 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -14.222 -16.900 -5.014 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.623 -16.421 -8.637 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -16.809 -16.991 -8.987 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.644 -16.626 -10.268 1.00 0.00 H new ATOM 1544 N HIS A 100 -14.580 -14.163 -4.208 1.00 0.00 N ATOM 1545 CA HIS A 100 -15.395 -13.001 -3.777 1.00 0.00 C ATOM 1546 C HIS A 100 -14.546 -12.051 -2.888 1.00 0.00 C ATOM 1547 O HIS A 100 -13.314 -12.171 -2.844 1.00 0.00 O ATOM 1548 CB HIS A 100 -16.671 -13.490 -3.016 1.00 0.00 C ATOM 1549 CG HIS A 100 -17.743 -14.061 -3.906 1.00 0.00 C ATOM 1550 ND1 HIS A 100 -18.166 -15.373 -3.848 1.00 0.00 N ATOM 1551 CD2 HIS A 100 -18.489 -13.473 -4.874 1.00 0.00 C ATOM 1552 CE1 HIS A 100 -19.114 -15.571 -4.745 1.00 0.00 C ATOM 1553 NE2 HIS A 100 -19.328 -14.435 -5.378 1.00 0.00 N ATOM 0 H HIS A 100 -14.673 -14.972 -3.594 1.00 0.00 H new ATOM 0 HA HIS A 100 -15.716 -12.445 -4.658 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -16.378 -14.247 -2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -17.088 -12.654 -2.455 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -18.433 -12.441 -5.189 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -19.626 -16.504 -4.929 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -20.009 -14.293 -6.124 1.00 0.00 H new ATOM 1562 N HIS A 101 -15.237 -11.098 -2.218 1.00 0.00 N ATOM 1563 CA HIS A 101 -14.644 -10.091 -1.307 1.00 0.00 C ATOM 1564 C HIS A 101 -13.819 -9.049 -2.112 1.00 0.00 C ATOM 1565 O HIS A 101 -12.570 -9.100 -2.108 1.00 0.00 O ATOM 1566 CB HIS A 101 -13.822 -10.741 -0.152 1.00 0.00 C ATOM 1567 CG HIS A 101 -14.657 -11.522 0.825 1.00 0.00 C ATOM 1568 ND1 HIS A 101 -14.763 -12.893 0.807 1.00 0.00 N ATOM 1569 CD2 HIS A 101 -15.419 -11.106 1.864 1.00 0.00 C ATOM 1570 CE1 HIS A 101 -15.551 -13.288 1.792 1.00 0.00 C ATOM 1571 NE2 HIS A 101 -15.959 -12.225 2.446 1.00 0.00 N ATOM 1572 OXT HIS A 101 -14.438 -8.203 -2.784 1.00 0.00 O ATOM 0 H HIS A 101 -16.250 -11.006 -2.299 1.00 0.00 H new ATOM 0 HA HIS A 101 -15.462 -9.561 -0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -13.070 -11.402 -0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.288 -9.958 0.386 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -15.573 -10.084 2.176 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -15.814 -14.310 2.020 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -16.578 -12.230 3.257 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 14.299 9.647 2.678 1.00 0.00 P HETATM 1583 O25 PNS A 102 14.181 8.279 2.150 1.00 0.00 O HETATM 1584 O26 PNS A 102 14.501 9.836 4.134 1.00 0.00 O HETATM 1585 O27 PNS A 102 15.377 10.491 1.807 1.00 0.00 O HETATM 1586 C28 PNS A 102 15.838 11.809 2.172 1.00 0.00 C HETATM 1587 C29 PNS A 102 16.813 12.435 1.101 1.00 0.00 C HETATM 1588 C30 PNS A 102 17.030 13.941 1.456 1.00 0.00 C HETATM 1589 C31 PNS A 102 16.139 12.349 -0.305 1.00 0.00 C HETATM 1590 C32 PNS A 102 18.221 11.691 1.116 1.00 0.00 C HETATM 1591 O33 PNS A 102 18.904 11.956 2.355 1.00 0.00 O HETATM 1592 C34 PNS A 102 18.087 10.166 0.936 1.00 0.00 C HETATM 1593 O35 PNS A 102 18.223 9.415 1.920 1.00 0.00 O HETATM 1594 N36 PNS A 102 17.793 9.735 -0.300 1.00 0.00 N HETATM 1595 C37 PNS A 102 17.609 8.320 -0.620 1.00 0.00 C HETATM 1596 C38 PNS A 102 18.863 7.445 -0.385 1.00 0.00 C HETATM 1597 C39 PNS A 102 18.487 6.056 0.125 1.00 0.00 C HETATM 1598 O40 PNS A 102 18.730 5.036 -0.533 1.00 0.00 O HETATM 1599 N41 PNS A 102 17.834 6.057 1.304 1.00 0.00 N HETATM 1600 C42 PNS A 102 17.378 4.829 1.979 1.00 0.00 C HETATM 1601 C43 PNS A 102 16.602 5.147 3.256 1.00 0.00 C HETATM 1602 S44 PNS A 102 16.018 3.667 4.105 1.00 0.00 S HETATM 0 H432 PNS A 102 17.239 5.719 3.930 1.00 0.00 H new HETATM 0 H431 PNS A 102 15.749 5.779 3.010 1.00 0.00 H new HETATM 0 H422 PNS A 102 18.238 4.205 2.221 1.00 0.00 H new HETATM 0 H421 PNS A 102 16.747 4.254 1.302 1.00 0.00 H new HETATM 0 H382 PNS A 102 19.519 7.933 0.336 1.00 0.00 H new HETATM 0 H381 PNS A 102 19.424 7.353 -1.315 1.00 0.00 H new HETATM 0 H372 PNS A 102 17.309 8.232 -1.664 1.00 0.00 H new HETATM 0 H371 PNS A 102 16.789 7.927 -0.019 1.00 0.00 H new HETATM 0 H313 PNS A 102 16.804 12.779 -1.054 1.00 0.00 H new HETATM 0 H312 PNS A 102 15.200 12.902 -0.293 1.00 0.00 H new HETATM 0 H311 PNS A 102 15.942 11.306 -0.551 1.00 0.00 H new HETATM 0 H303 PNS A 102 17.702 14.394 0.727 1.00 0.00 H new HETATM 0 H302 PNS A 102 17.467 14.021 2.451 1.00 0.00 H new HETATM 0 H301 PNS A 102 16.072 14.461 1.438 1.00 0.00 H new HETATM 0 H282 PNS A 102 16.348 11.757 3.134 1.00 0.00 H new HETATM 0 H281 PNS A 102 14.978 12.466 2.302 1.00 0.00 H new HETATM 0 H44 PNS A 102 15.371 4.010 5.179 1.00 0.00 H new HETATM 0 H41 PNS A 102 17.646 6.954 1.752 1.00 0.00 H new HETATM 0 H36 PNS A 102 17.694 10.422 -1.047 1.00 0.00 H new HETATM 0 H33 PNS A 102 18.938 11.137 2.892 1.00 0.00 H new HETATM 0 H32 PNS A 102 18.791 12.079 0.272 1.00 0.00 H new