USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=19 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 73 GLN : amide:sc= 0.0366 X(o=0.037,f=0.21) USER MOD Set 1.2: A 74 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -2.48 K(o=-2.6,f=-9.5!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= -0.164 USER MOD Set 3.1: A 62 GLN : amide:sc= -0.297 K(o=-1.6,f=-0.031) USER MOD Set 3.2: A 65 ASN : amide:sc= -0.573 K(o=-1.6,f=-0.031) USER MOD Set 3.3: A 102 PNS S44 : rot -119:sc= -0.718 USER MOD Set 4.1: A 24 THR OG1 : rot -4:sc= 0.99 USER MOD Set 4.2: A 27 SER OG : rot -87:sc= 0.93 USER MOD Set 5.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 1 MET CE :methyl 158:sc= 0 (180deg=-0.0554) USER MOD Set 6.2: A 3 SER OG : rot 115:sc= 0.152 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 70:sc= 0.906 USER MOD Single : A 15 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 16 CYS SG : rot 87:sc= -4.08! USER MOD Single : A 22 THR OG1 : rot -21:sc= 0.399 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0843) USER MOD Single : A 61 THR OG1 : rot 73:sc= 0.772 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -128:sc= -0.239 (180deg=-2.06!) USER MOD Single : A 79 ASN : amide:sc= -0.0773 K(o=-0.077,f=-0.63) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.00046) USER MOD Single : A 98 HIS : no HD1:sc= -0.583 X(o=-0.58,f=-0.084) USER MOD Single : A 99 HIS : no HE2:sc= -0.324 K(o=-0.32,f=-2.8!) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 PNS O33 : rot 180:sc= -0.108 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.660 3.797 -0.451 1.00 0.00 N ATOM 2 CA MET A 1 -16.702 3.324 -1.479 1.00 0.00 C ATOM 3 C MET A 1 -15.499 2.640 -0.804 1.00 0.00 C ATOM 4 O MET A 1 -15.122 1.522 -1.188 1.00 0.00 O ATOM 5 CB MET A 1 -16.266 4.510 -2.378 1.00 0.00 C ATOM 6 CG MET A 1 -15.336 4.141 -3.537 1.00 0.00 C ATOM 7 SD MET A 1 -14.932 5.552 -4.587 1.00 0.00 S ATOM 8 CE MET A 1 -13.866 4.798 -5.819 1.00 0.00 C ATOM 0 H1 MET A 1 -18.469 4.257 -0.916 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.997 2.987 0.108 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.187 4.479 0.176 1.00 0.00 H new ATOM 0 HA MET A 1 -17.184 2.584 -2.118 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.159 4.983 -2.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.768 5.253 -1.755 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.415 3.716 -3.137 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.807 3.367 -4.142 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.857 5.414 -6.718 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.853 4.718 -5.424 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.240 3.804 -6.064 1.00 0.00 H new ATOM 20 N THR A 2 -14.887 3.349 0.179 1.00 0.00 N ATOM 21 CA THR A 2 -13.839 2.804 1.090 1.00 0.00 C ATOM 22 C THR A 2 -12.528 2.437 0.317 1.00 0.00 C ATOM 23 O THR A 2 -11.662 1.716 0.827 1.00 0.00 O ATOM 24 CB THR A 2 -14.406 1.570 1.910 1.00 0.00 C ATOM 25 OG1 THR A 2 -15.739 1.871 2.366 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.551 1.199 3.145 1.00 0.00 C ATOM 0 H THR A 2 -15.108 4.327 0.366 1.00 0.00 H new ATOM 0 HA THR A 2 -13.570 3.586 1.800 1.00 0.00 H new ATOM 0 HB THR A 2 -14.389 0.719 1.229 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.092 1.109 2.871 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.000 0.347 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.542 0.939 2.824 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.508 2.049 3.826 1.00 0.00 H new ATOM 34 N SER A 3 -12.373 3.004 -0.901 1.00 0.00 N ATOM 35 CA SER A 3 -11.254 2.690 -1.816 1.00 0.00 C ATOM 36 C SER A 3 -9.897 3.168 -1.268 1.00 0.00 C ATOM 37 O SER A 3 -9.830 4.107 -0.461 1.00 0.00 O ATOM 38 CB SER A 3 -11.527 3.320 -3.193 1.00 0.00 C ATOM 39 OG SER A 3 -11.830 4.698 -3.067 1.00 0.00 O ATOM 0 H SER A 3 -13.023 3.694 -1.277 1.00 0.00 H new ATOM 0 HA SER A 3 -11.193 1.606 -1.909 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.655 3.192 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.357 2.804 -3.676 1.00 0.00 H new ATOM 0 HG SER A 3 -11.127 5.228 -3.498 1.00 0.00 H new ATOM 45 N THR A 4 -8.826 2.528 -1.766 1.00 0.00 N ATOM 46 CA THR A 4 -7.460 2.716 -1.267 1.00 0.00 C ATOM 47 C THR A 4 -6.956 4.156 -1.485 1.00 0.00 C ATOM 48 O THR A 4 -6.422 4.751 -0.552 1.00 0.00 O ATOM 49 CB THR A 4 -6.489 1.697 -1.939 1.00 0.00 C ATOM 50 OG1 THR A 4 -6.998 0.369 -1.760 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.059 1.765 -1.367 1.00 0.00 C ATOM 0 H THR A 4 -8.888 1.860 -2.534 1.00 0.00 H new ATOM 0 HA THR A 4 -7.481 2.536 -0.192 1.00 0.00 H new ATOM 0 HB THR A 4 -6.432 1.958 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.391 -0.274 -2.183 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.429 1.033 -1.873 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.652 2.764 -1.523 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.083 1.546 -0.300 1.00 0.00 H new ATOM 59 N PHE A 5 -7.156 4.706 -2.706 1.00 0.00 N ATOM 60 CA PHE A 5 -6.715 6.081 -3.042 1.00 0.00 C ATOM 61 C PHE A 5 -7.330 7.117 -2.080 1.00 0.00 C ATOM 62 O PHE A 5 -6.617 7.960 -1.554 1.00 0.00 O ATOM 63 CB PHE A 5 -7.052 6.473 -4.515 1.00 0.00 C ATOM 64 CG PHE A 5 -6.866 7.980 -4.802 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.592 8.553 -4.810 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.965 8.833 -4.988 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.425 9.913 -4.992 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.789 10.192 -5.184 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.520 10.731 -5.181 1.00 0.00 C ATOM 0 H PHE A 5 -7.619 4.220 -3.474 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.631 6.086 -2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.417 5.900 -5.191 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.083 6.193 -4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.725 7.924 -4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.964 8.423 -4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.432 10.338 -4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.646 10.830 -5.339 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.383 11.792 -5.326 1.00 0.00 H new ATOM 79 N ASP A 6 -8.651 7.041 -1.885 1.00 0.00 N ATOM 80 CA ASP A 6 -9.408 8.022 -1.071 1.00 0.00 C ATOM 81 C ASP A 6 -9.001 7.964 0.408 1.00 0.00 C ATOM 82 O ASP A 6 -8.963 9.001 1.080 1.00 0.00 O ATOM 83 CB ASP A 6 -10.926 7.803 -1.233 1.00 0.00 C ATOM 84 CG ASP A 6 -11.423 8.171 -2.634 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.151 7.416 -3.597 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.068 9.231 -2.793 1.00 0.00 O ATOM 0 H ASP A 6 -9.232 6.303 -2.282 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.161 9.018 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.163 6.759 -1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.458 8.401 -0.493 1.00 0.00 H new ATOM 91 N ARG A 7 -8.700 6.741 0.897 1.00 0.00 N ATOM 92 CA ARG A 7 -8.114 6.535 2.240 1.00 0.00 C ATOM 93 C ARG A 7 -6.756 7.249 2.354 1.00 0.00 C ATOM 94 O ARG A 7 -6.530 8.004 3.298 1.00 0.00 O ATOM 95 CB ARG A 7 -7.942 5.018 2.560 1.00 0.00 C ATOM 96 CG ARG A 7 -9.252 4.242 2.821 1.00 0.00 C ATOM 97 CD ARG A 7 -10.025 4.801 4.031 1.00 0.00 C ATOM 98 NE ARG A 7 -11.180 3.961 4.411 1.00 0.00 N ATOM 99 CZ ARG A 7 -12.199 4.350 5.200 1.00 0.00 C ATOM 100 NH1 ARG A 7 -12.307 5.611 5.609 1.00 0.00 N ATOM 101 NH2 ARG A 7 -13.119 3.464 5.571 1.00 0.00 N ATOM 0 H ARG A 7 -8.854 5.877 0.378 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.805 6.962 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.420 4.546 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.301 4.919 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.884 4.290 1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.022 3.190 2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.348 4.886 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.374 5.807 3.800 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.207 3.009 4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.611 6.301 5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.086 5.888 6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.050 2.496 5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -13.893 3.753 6.169 1.00 0.00 H new ATOM 115 N VAL A 8 -5.886 7.024 1.353 1.00 0.00 N ATOM 116 CA VAL A 8 -4.529 7.606 1.292 1.00 0.00 C ATOM 117 C VAL A 8 -4.578 9.145 1.149 1.00 0.00 C ATOM 118 O VAL A 8 -3.765 9.846 1.740 1.00 0.00 O ATOM 119 CB VAL A 8 -3.696 6.962 0.118 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.327 7.663 -0.086 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.508 5.448 0.368 1.00 0.00 C ATOM 0 H VAL A 8 -6.105 6.428 0.555 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.030 7.378 2.234 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.262 7.104 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.791 7.183 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.488 8.714 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.738 7.584 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.932 5.013 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.976 5.298 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.483 4.964 0.421 1.00 0.00 H new ATOM 131 N ALA A 9 -5.557 9.647 0.390 1.00 0.00 N ATOM 132 CA ALA A 9 -5.757 11.083 0.143 1.00 0.00 C ATOM 133 C ALA A 9 -6.159 11.809 1.441 1.00 0.00 C ATOM 134 O ALA A 9 -5.693 12.926 1.707 1.00 0.00 O ATOM 135 CB ALA A 9 -6.819 11.275 -0.955 1.00 0.00 C ATOM 0 H ALA A 9 -6.246 9.059 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.819 11.521 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.966 12.340 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.484 10.793 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.760 10.829 -0.633 1.00 0.00 H new ATOM 141 N THR A 10 -7.032 11.145 2.236 1.00 0.00 N ATOM 142 CA THR A 10 -7.377 11.580 3.606 1.00 0.00 C ATOM 143 C THR A 10 -6.112 11.606 4.483 1.00 0.00 C ATOM 144 O THR A 10 -5.800 12.623 5.096 1.00 0.00 O ATOM 145 CB THR A 10 -8.448 10.640 4.273 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.576 10.477 3.403 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.938 11.189 5.632 1.00 0.00 C ATOM 0 H THR A 10 -7.514 10.295 1.944 1.00 0.00 H new ATOM 0 HA THR A 10 -7.805 12.580 3.530 1.00 0.00 H new ATOM 0 HB THR A 10 -7.963 9.679 4.446 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.317 9.934 2.630 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.676 10.507 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.093 11.278 6.315 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.391 12.169 5.486 1.00 0.00 H new ATOM 155 N ILE A 11 -5.365 10.485 4.459 1.00 0.00 N ATOM 156 CA ILE A 11 -4.130 10.277 5.249 1.00 0.00 C ATOM 157 C ILE A 11 -3.099 11.392 4.999 1.00 0.00 C ATOM 158 O ILE A 11 -2.594 11.972 5.947 1.00 0.00 O ATOM 159 CB ILE A 11 -3.515 8.848 4.929 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.375 7.725 5.605 1.00 0.00 C ATOM 161 CG2 ILE A 11 -2.015 8.730 5.309 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.030 6.297 5.202 1.00 0.00 C ATOM 0 H ILE A 11 -5.606 9.681 3.879 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.393 10.318 6.306 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.553 8.716 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.270 7.813 6.686 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.424 7.906 5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.655 7.730 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.439 9.469 4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.895 8.908 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.685 5.602 5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.165 6.180 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.993 6.086 5.462 1.00 0.00 H new ATOM 174 N ILE A 12 -2.842 11.720 3.723 1.00 0.00 N ATOM 175 CA ILE A 12 -1.837 12.727 3.331 1.00 0.00 C ATOM 176 C ILE A 12 -2.256 14.125 3.824 1.00 0.00 C ATOM 177 O ILE A 12 -1.448 14.861 4.425 1.00 0.00 O ATOM 178 CB ILE A 12 -1.645 12.725 1.762 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.970 11.394 1.303 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.860 13.957 1.250 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.743 11.271 -0.196 1.00 0.00 C ATOM 0 H ILE A 12 -3.325 11.295 2.931 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.885 12.471 3.797 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.637 12.792 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.010 11.298 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.589 10.559 1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.760 13.900 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.397 14.867 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.130 13.973 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.270 10.314 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.700 11.330 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.096 12.081 -0.534 1.00 0.00 H new ATOM 193 N ALA A 13 -3.539 14.451 3.580 1.00 0.00 N ATOM 194 CA ALA A 13 -4.169 15.702 4.025 1.00 0.00 C ATOM 195 C ALA A 13 -4.050 15.899 5.553 1.00 0.00 C ATOM 196 O ALA A 13 -3.722 16.989 6.017 1.00 0.00 O ATOM 197 CB ALA A 13 -5.646 15.739 3.584 1.00 0.00 C ATOM 0 H ALA A 13 -4.173 13.843 3.061 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.636 16.527 3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.103 16.670 3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.703 15.678 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.178 14.895 4.023 1.00 0.00 H new ATOM 203 N GLU A 14 -4.295 14.826 6.319 1.00 0.00 N ATOM 204 CA GLU A 14 -4.287 14.873 7.794 1.00 0.00 C ATOM 205 C GLU A 14 -2.861 14.888 8.371 1.00 0.00 C ATOM 206 O GLU A 14 -2.595 15.593 9.351 1.00 0.00 O ATOM 207 CB GLU A 14 -5.086 13.675 8.375 1.00 0.00 C ATOM 208 CG GLU A 14 -6.573 13.620 7.958 1.00 0.00 C ATOM 209 CD GLU A 14 -7.340 14.939 8.171 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.619 15.294 9.335 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.677 15.625 7.179 1.00 0.00 O ATOM 0 H GLU A 14 -4.504 13.903 5.938 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.766 15.807 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.602 12.749 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.030 13.713 9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.633 13.344 6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.068 12.830 8.523 1.00 0.00 H new ATOM 218 N THR A 15 -1.951 14.119 7.749 1.00 0.00 N ATOM 219 CA THR A 15 -0.586 13.916 8.269 1.00 0.00 C ATOM 220 C THR A 15 0.255 15.202 8.152 1.00 0.00 C ATOM 221 O THR A 15 0.746 15.726 9.159 1.00 0.00 O ATOM 222 CB THR A 15 0.142 12.744 7.523 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.592 11.529 7.705 1.00 0.00 O ATOM 224 CG2 THR A 15 1.588 12.536 8.010 1.00 0.00 C ATOM 0 H THR A 15 -2.138 13.623 6.877 1.00 0.00 H new ATOM 0 HA THR A 15 -0.684 13.654 9.322 1.00 0.00 H new ATOM 0 HB THR A 15 0.186 13.016 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.441 11.584 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.043 11.713 7.459 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.163 13.446 7.842 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.583 12.302 9.074 1.00 0.00 H new ATOM 232 N CYS A 16 0.388 15.713 6.913 1.00 0.00 N ATOM 233 CA CYS A 16 1.337 16.793 6.571 1.00 0.00 C ATOM 234 C CYS A 16 0.622 18.081 6.107 1.00 0.00 C ATOM 235 O CYS A 16 1.291 19.023 5.665 1.00 0.00 O ATOM 236 CB CYS A 16 2.306 16.262 5.485 1.00 0.00 C ATOM 237 SG CYS A 16 3.283 14.836 6.007 1.00 0.00 S ATOM 0 H CYS A 16 -0.161 15.388 6.117 1.00 0.00 H new ATOM 0 HA CYS A 16 1.894 17.071 7.465 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.730 15.991 4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.982 17.065 5.192 1.00 0.00 H new ATOM 0 HG CYS A 16 2.614 13.745 5.779 1.00 0.00 H new ATOM 243 N ASP A 17 -0.729 18.119 6.245 1.00 0.00 N ATOM 244 CA ASP A 17 -1.577 19.264 5.836 1.00 0.00 C ATOM 245 C ASP A 17 -1.369 19.637 4.344 1.00 0.00 C ATOM 246 O ASP A 17 -0.680 20.608 4.015 1.00 0.00 O ATOM 247 CB ASP A 17 -1.355 20.483 6.790 1.00 0.00 C ATOM 248 CG ASP A 17 -2.304 21.675 6.527 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.450 21.657 7.024 1.00 0.00 O ATOM 250 OD2 ASP A 17 -1.905 22.637 5.822 1.00 0.00 O ATOM 0 H ASP A 17 -1.262 17.348 6.647 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.620 18.960 5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.483 20.152 7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.325 20.825 6.691 1.00 0.00 H new ATOM 255 N ILE A 18 -1.891 18.788 3.443 1.00 0.00 N ATOM 256 CA ILE A 18 -1.972 19.090 1.994 1.00 0.00 C ATOM 257 C ILE A 18 -3.467 19.180 1.622 1.00 0.00 C ATOM 258 O ILE A 18 -4.230 18.290 2.015 1.00 0.00 O ATOM 259 CB ILE A 18 -1.251 18.011 1.063 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.280 17.876 1.392 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.450 18.329 -0.447 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.598 17.084 2.635 1.00 0.00 C ATOM 0 H ILE A 18 -2.269 17.874 3.692 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.444 20.027 1.819 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.727 17.054 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.778 17.407 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.703 18.875 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.945 17.573 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.514 18.328 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.030 19.310 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.678 17.047 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.135 17.561 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.211 16.070 2.529 1.00 0.00 H new ATOM 274 N PRO A 19 -3.915 20.261 0.889 1.00 0.00 N ATOM 275 CA PRO A 19 -5.322 20.405 0.468 1.00 0.00 C ATOM 276 C PRO A 19 -5.802 19.183 -0.357 1.00 0.00 C ATOM 277 O PRO A 19 -5.190 18.828 -1.363 1.00 0.00 O ATOM 278 CB PRO A 19 -5.347 21.734 -0.353 1.00 0.00 C ATOM 279 CG PRO A 19 -3.913 22.091 -0.622 1.00 0.00 C ATOM 280 CD PRO A 19 -3.086 21.416 0.451 1.00 0.00 C ATOM 0 HA PRO A 19 -6.009 20.443 1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.897 21.605 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.847 22.526 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.610 21.754 -1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.772 23.172 -0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.122 21.088 0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.881 22.094 1.279 1.00 0.00 H new ATOM 288 N ARG A 20 -6.873 18.530 0.140 1.00 0.00 N ATOM 289 CA ARG A 20 -7.518 17.347 -0.486 1.00 0.00 C ATOM 290 C ARG A 20 -7.855 17.598 -1.975 1.00 0.00 C ATOM 291 O ARG A 20 -7.766 16.686 -2.808 1.00 0.00 O ATOM 292 CB ARG A 20 -8.808 16.985 0.314 1.00 0.00 C ATOM 293 CG ARG A 20 -9.564 15.718 -0.157 1.00 0.00 C ATOM 294 CD ARG A 20 -8.752 14.430 0.048 1.00 0.00 C ATOM 295 NE ARG A 20 -9.496 13.233 -0.397 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.092 12.345 0.414 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.104 12.529 1.729 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.688 11.278 -0.095 1.00 0.00 N ATOM 0 H ARG A 20 -7.327 18.814 1.008 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.817 16.513 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.538 16.854 1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.492 17.832 0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.505 15.639 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.813 15.821 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.814 14.500 -0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.495 14.327 1.102 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.562 13.068 -1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.657 13.352 2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.560 11.847 2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.694 11.130 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.141 10.604 0.522 1.00 0.00 H new ATOM 312 N GLU A 21 -8.194 18.864 -2.291 1.00 0.00 N ATOM 313 CA GLU A 21 -8.545 19.318 -3.655 1.00 0.00 C ATOM 314 C GLU A 21 -7.355 19.166 -4.635 1.00 0.00 C ATOM 315 O GLU A 21 -7.551 18.837 -5.806 1.00 0.00 O ATOM 316 CB GLU A 21 -9.024 20.802 -3.600 1.00 0.00 C ATOM 317 CG GLU A 21 -8.021 21.754 -2.929 1.00 0.00 C ATOM 318 CD GLU A 21 -8.463 23.222 -2.924 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.322 23.593 -2.093 1.00 0.00 O ATOM 320 OE2 GLU A 21 -7.956 24.009 -3.750 1.00 0.00 O ATOM 0 H GLU A 21 -8.233 19.611 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.351 18.687 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.217 21.149 -4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.971 20.849 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.860 21.430 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.062 21.676 -3.442 1.00 0.00 H new ATOM 327 N THR A 22 -6.119 19.377 -4.135 1.00 0.00 N ATOM 328 CA THR A 22 -4.895 19.327 -4.962 1.00 0.00 C ATOM 329 C THR A 22 -4.314 17.901 -5.032 1.00 0.00 C ATOM 330 O THR A 22 -3.364 17.649 -5.782 1.00 0.00 O ATOM 331 CB THR A 22 -3.810 20.330 -4.433 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.419 20.003 -3.090 1.00 0.00 O ATOM 333 CG2 THR A 22 -4.328 21.782 -4.473 1.00 0.00 C ATOM 0 H THR A 22 -5.942 19.586 -3.152 1.00 0.00 H new ATOM 0 HA THR A 22 -5.180 19.626 -5.971 1.00 0.00 H new ATOM 0 HB THR A 22 -2.944 20.244 -5.089 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.122 19.467 -2.666 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.555 22.454 -4.101 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.579 22.051 -5.499 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.216 21.869 -3.847 1.00 0.00 H new ATOM 341 N ILE A 23 -4.900 16.970 -4.252 1.00 0.00 N ATOM 342 CA ILE A 23 -4.470 15.566 -4.212 1.00 0.00 C ATOM 343 C ILE A 23 -5.238 14.787 -5.305 1.00 0.00 C ATOM 344 O ILE A 23 -6.377 14.369 -5.099 1.00 0.00 O ATOM 345 CB ILE A 23 -4.737 14.957 -2.772 1.00 0.00 C ATOM 346 CG1 ILE A 23 -3.944 15.754 -1.680 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.396 13.451 -2.703 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.177 15.291 -0.245 1.00 0.00 C ATOM 0 H ILE A 23 -5.685 17.175 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.400 15.490 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.804 15.055 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.879 15.681 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.213 16.808 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.595 13.079 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.010 12.906 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.343 13.305 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.585 15.903 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.234 15.391 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.879 14.247 -0.146 1.00 0.00 H new ATOM 360 N THR A 24 -4.631 14.662 -6.495 1.00 0.00 N ATOM 361 CA THR A 24 -5.210 13.901 -7.627 1.00 0.00 C ATOM 362 C THR A 24 -4.449 12.566 -7.788 1.00 0.00 C ATOM 363 O THR A 24 -3.277 12.503 -7.432 1.00 0.00 O ATOM 364 CB THR A 24 -5.167 14.737 -8.960 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.826 15.132 -9.262 1.00 0.00 O ATOM 366 CG2 THR A 24 -6.064 15.990 -8.891 1.00 0.00 C ATOM 0 H THR A 24 -3.726 15.083 -6.706 1.00 0.00 H new ATOM 0 HA THR A 24 -6.258 13.693 -7.412 1.00 0.00 H new ATOM 0 HB THR A 24 -5.549 14.090 -9.750 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.231 14.854 -8.534 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.002 16.535 -9.833 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.096 15.689 -8.714 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.729 16.633 -8.077 1.00 0.00 H new ATOM 374 N PRO A 25 -5.084 11.482 -8.348 1.00 0.00 N ATOM 375 CA PRO A 25 -4.459 10.130 -8.428 1.00 0.00 C ATOM 376 C PRO A 25 -3.145 10.096 -9.245 1.00 0.00 C ATOM 377 O PRO A 25 -2.290 9.245 -9.007 1.00 0.00 O ATOM 378 CB PRO A 25 -5.566 9.256 -9.084 1.00 0.00 C ATOM 379 CG PRO A 25 -6.444 10.237 -9.797 1.00 0.00 C ATOM 380 CD PRO A 25 -6.446 11.475 -8.939 1.00 0.00 C ATOM 0 HA PRO A 25 -4.150 9.776 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.140 8.529 -9.775 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.124 8.695 -8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.062 10.452 -10.795 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.453 9.843 -9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.634 12.373 -9.528 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.218 11.431 -8.171 1.00 0.00 H new ATOM 388 N GLU A 26 -2.959 11.066 -10.158 1.00 0.00 N ATOM 389 CA GLU A 26 -1.787 11.117 -11.058 1.00 0.00 C ATOM 390 C GLU A 26 -0.725 12.105 -10.520 1.00 0.00 C ATOM 391 O GLU A 26 0.211 12.473 -11.238 1.00 0.00 O ATOM 392 CB GLU A 26 -2.251 11.510 -12.483 1.00 0.00 C ATOM 393 CG GLU A 26 -3.249 10.521 -13.122 1.00 0.00 C ATOM 394 CD GLU A 26 -3.715 10.960 -14.518 1.00 0.00 C ATOM 395 OE1 GLU A 26 -3.058 10.586 -15.516 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.726 11.695 -14.620 1.00 0.00 O ATOM 0 H GLU A 26 -3.614 11.836 -10.295 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.321 10.132 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.711 12.497 -12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.376 11.592 -13.128 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.784 9.538 -13.192 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.117 10.417 -12.471 1.00 0.00 H new ATOM 403 N SER A 27 -0.869 12.502 -9.239 1.00 0.00 N ATOM 404 CA SER A 27 0.097 13.374 -8.548 1.00 0.00 C ATOM 405 C SER A 27 1.239 12.528 -7.981 1.00 0.00 C ATOM 406 O SER A 27 1.008 11.435 -7.447 1.00 0.00 O ATOM 407 CB SER A 27 -0.576 14.165 -7.401 1.00 0.00 C ATOM 408 OG SER A 27 -1.536 15.081 -7.892 1.00 0.00 O ATOM 0 H SER A 27 -1.659 12.226 -8.656 1.00 0.00 H new ATOM 0 HA SER A 27 0.485 14.089 -9.273 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.055 13.470 -6.711 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.184 14.703 -6.835 1.00 0.00 H new ATOM 0 HG SER A 27 -1.095 15.927 -8.118 1.00 0.00 H new ATOM 414 N HIS A 28 2.468 13.036 -8.110 1.00 0.00 N ATOM 415 CA HIS A 28 3.651 12.425 -7.509 1.00 0.00 C ATOM 416 C HIS A 28 3.843 13.053 -6.123 1.00 0.00 C ATOM 417 O HIS A 28 4.077 14.253 -6.038 1.00 0.00 O ATOM 418 CB HIS A 28 4.894 12.670 -8.397 1.00 0.00 C ATOM 419 CG HIS A 28 6.097 11.855 -8.000 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.895 12.211 -6.950 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.589 10.728 -8.554 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.850 11.301 -6.898 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.705 10.383 -7.855 1.00 0.00 N ATOM 0 H HIS A 28 2.668 13.886 -8.637 1.00 0.00 H new ATOM 0 HA HIS A 28 3.521 11.346 -7.420 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.639 12.443 -9.432 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.154 13.728 -8.357 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.174 10.197 -9.398 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.649 11.300 -6.171 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.311 9.581 -8.029 1.00 0.00 H new ATOM 431 N ALA A 29 3.710 12.250 -5.056 1.00 0.00 N ATOM 432 CA ALA A 29 3.860 12.684 -3.656 1.00 0.00 C ATOM 433 C ALA A 29 5.102 13.564 -3.418 1.00 0.00 C ATOM 434 O ALA A 29 4.987 14.605 -2.793 1.00 0.00 O ATOM 435 CB ALA A 29 3.879 11.456 -2.726 1.00 0.00 C ATOM 0 H ALA A 29 3.490 11.258 -5.143 1.00 0.00 H new ATOM 0 HA ALA A 29 2.998 13.310 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.990 11.784 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.945 10.904 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.715 10.810 -2.994 1.00 0.00 H new ATOM 441 N ILE A 30 6.253 13.208 -4.015 1.00 0.00 N ATOM 442 CA ILE A 30 7.544 13.846 -3.670 1.00 0.00 C ATOM 443 C ILE A 30 7.835 15.039 -4.606 1.00 0.00 C ATOM 444 O ILE A 30 8.278 16.102 -4.154 1.00 0.00 O ATOM 445 CB ILE A 30 8.730 12.794 -3.693 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.469 11.662 -2.637 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.114 13.463 -3.464 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.600 10.652 -2.468 1.00 0.00 C ATOM 0 H ILE A 30 6.320 12.488 -4.734 1.00 0.00 H new ATOM 0 HA ILE A 30 7.467 14.229 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 30 8.758 12.349 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.273 12.128 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.564 11.125 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.894 12.702 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.298 14.197 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.122 13.960 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.319 9.914 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.785 10.151 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.505 11.169 -2.148 1.00 0.00 H new ATOM 460 N ASP A 31 7.531 14.875 -5.903 1.00 0.00 N ATOM 461 CA ASP A 31 7.911 15.842 -6.956 1.00 0.00 C ATOM 462 C ASP A 31 6.793 16.884 -7.176 1.00 0.00 C ATOM 463 O ASP A 31 7.049 18.089 -7.211 1.00 0.00 O ATOM 464 CB ASP A 31 8.229 15.080 -8.277 1.00 0.00 C ATOM 465 CG ASP A 31 8.752 15.994 -9.406 1.00 0.00 C ATOM 466 OD1 ASP A 31 9.959 16.318 -9.405 1.00 0.00 O ATOM 467 OD2 ASP A 31 7.963 16.398 -10.291 1.00 0.00 O ATOM 0 H ASP A 31 7.015 14.069 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 31 8.803 16.380 -6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.971 14.308 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.328 14.572 -8.620 1.00 0.00 H new ATOM 472 N ASP A 32 5.548 16.396 -7.296 1.00 0.00 N ATOM 473 CA ASP A 32 4.369 17.229 -7.630 1.00 0.00 C ATOM 474 C ASP A 32 3.755 17.862 -6.364 1.00 0.00 C ATOM 475 O ASP A 32 3.565 19.078 -6.302 1.00 0.00 O ATOM 476 CB ASP A 32 3.319 16.358 -8.376 1.00 0.00 C ATOM 477 CG ASP A 32 2.053 17.132 -8.781 1.00 0.00 C ATOM 478 OD1 ASP A 32 2.101 17.862 -9.793 1.00 0.00 O ATOM 479 OD2 ASP A 32 1.012 17.019 -8.094 1.00 0.00 O ATOM 0 H ASP A 32 5.324 15.410 -7.165 1.00 0.00 H new ATOM 0 HA ASP A 32 4.687 18.045 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.778 15.936 -9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.035 15.521 -7.738 1.00 0.00 H new ATOM 484 N LEU A 33 3.445 17.024 -5.358 1.00 0.00 N ATOM 485 CA LEU A 33 2.847 17.476 -4.082 1.00 0.00 C ATOM 486 C LEU A 33 3.917 18.072 -3.144 1.00 0.00 C ATOM 487 O LEU A 33 3.573 18.713 -2.143 1.00 0.00 O ATOM 488 CB LEU A 33 2.115 16.303 -3.385 1.00 0.00 C ATOM 489 CG LEU A 33 0.956 15.633 -4.188 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.355 14.457 -3.394 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.127 16.667 -4.591 1.00 0.00 C ATOM 0 H LEU A 33 3.600 16.017 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 33 2.124 18.259 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.851 15.536 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.711 16.666 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 33 1.372 15.233 -5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.451 14.003 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.129 13.713 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.038 14.822 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.919 16.166 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.547 17.122 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.322 17.440 -5.214 1.00 0.00 H new ATOM 503 N GLY A 34 5.203 17.858 -3.490 1.00 0.00 N ATOM 504 CA GLY A 34 6.340 18.429 -2.748 1.00 0.00 C ATOM 505 C GLY A 34 6.490 17.900 -1.329 1.00 0.00 C ATOM 506 O GLY A 34 6.928 18.619 -0.436 1.00 0.00 O ATOM 0 H GLY A 34 5.479 17.287 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.258 18.224 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.227 19.512 -2.709 1.00 0.00 H new ATOM 510 N ILE A 35 6.127 16.631 -1.132 1.00 0.00 N ATOM 511 CA ILE A 35 6.208 15.936 0.164 1.00 0.00 C ATOM 512 C ILE A 35 7.536 15.172 0.209 1.00 0.00 C ATOM 513 O ILE A 35 7.735 14.250 -0.575 1.00 0.00 O ATOM 514 CB ILE A 35 5.012 14.922 0.335 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.639 15.649 0.186 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.099 14.155 1.680 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.447 14.715 0.079 1.00 0.00 C ATOM 0 H ILE A 35 5.761 16.042 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 35 6.150 16.665 0.972 1.00 0.00 H new ATOM 0 HB ILE A 35 5.091 14.184 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.495 16.307 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.671 16.282 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.258 13.466 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.033 13.594 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.068 14.865 2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.533 15.301 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.565 14.074 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.386 14.099 0.976 1.00 0.00 H new ATOM 529 N ASP A 36 8.425 15.540 1.136 1.00 0.00 N ATOM 530 CA ASP A 36 9.749 14.903 1.260 1.00 0.00 C ATOM 531 C ASP A 36 9.598 13.539 1.961 1.00 0.00 C ATOM 532 O ASP A 36 8.560 13.269 2.584 1.00 0.00 O ATOM 533 CB ASP A 36 10.715 15.842 2.037 1.00 0.00 C ATOM 534 CG ASP A 36 12.137 15.272 2.211 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.852 15.150 1.196 1.00 0.00 O ATOM 536 OD2 ASP A 36 12.521 14.893 3.344 1.00 0.00 O ATOM 0 H ASP A 36 8.255 16.280 1.817 1.00 0.00 H new ATOM 0 HA ASP A 36 10.175 14.732 0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.778 16.796 1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.293 16.046 3.021 1.00 0.00 H new ATOM 541 N SER A 37 10.641 12.707 1.840 1.00 0.00 N ATOM 542 CA SER A 37 10.727 11.392 2.487 1.00 0.00 C ATOM 543 C SER A 37 10.368 11.458 3.986 1.00 0.00 C ATOM 544 O SER A 37 9.540 10.681 4.464 1.00 0.00 O ATOM 545 CB SER A 37 12.154 10.865 2.320 1.00 0.00 C ATOM 546 OG SER A 37 12.301 9.577 2.932 1.00 0.00 O ATOM 0 H SER A 37 11.463 12.933 1.280 1.00 0.00 H new ATOM 0 HA SER A 37 10.007 10.725 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.399 10.798 1.260 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.859 11.566 2.766 1.00 0.00 H new ATOM 551 N LEU A 38 10.963 12.441 4.692 1.00 0.00 N ATOM 552 CA LEU A 38 10.781 12.627 6.154 1.00 0.00 C ATOM 553 C LEU A 38 9.322 12.944 6.548 1.00 0.00 C ATOM 554 O LEU A 38 8.942 12.735 7.704 1.00 0.00 O ATOM 555 CB LEU A 38 11.732 13.727 6.687 1.00 0.00 C ATOM 556 CG LEU A 38 13.251 13.390 6.639 1.00 0.00 C ATOM 557 CD1 LEU A 38 14.105 14.578 7.136 1.00 0.00 C ATOM 558 CD2 LEU A 38 13.551 12.092 7.435 1.00 0.00 C ATOM 0 H LEU A 38 11.584 13.130 4.269 1.00 0.00 H new ATOM 0 HA LEU A 38 11.032 11.674 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.563 14.637 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.460 13.947 7.719 1.00 0.00 H new ATOM 0 HG LEU A 38 13.527 13.211 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.161 14.311 7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.923 15.447 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.835 14.815 8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.618 11.875 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.253 12.226 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.993 11.262 7.002 1.00 0.00 H new ATOM 570 N ASP A 39 8.534 13.485 5.603 1.00 0.00 N ATOM 571 CA ASP A 39 7.080 13.722 5.791 1.00 0.00 C ATOM 572 C ASP A 39 6.297 12.451 5.428 1.00 0.00 C ATOM 573 O ASP A 39 5.323 12.082 6.098 1.00 0.00 O ATOM 574 CB ASP A 39 6.597 14.897 4.904 1.00 0.00 C ATOM 575 CG ASP A 39 7.396 16.179 5.136 1.00 0.00 C ATOM 576 OD1 ASP A 39 7.066 16.950 6.062 1.00 0.00 O ATOM 577 OD2 ASP A 39 8.372 16.415 4.403 1.00 0.00 O ATOM 0 H ASP A 39 8.880 13.772 4.687 1.00 0.00 H new ATOM 0 HA ASP A 39 6.904 13.977 6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.674 14.611 3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.543 15.089 5.105 1.00 0.00 H new ATOM 582 N PHE A 40 6.770 11.778 4.367 1.00 0.00 N ATOM 583 CA PHE A 40 6.109 10.604 3.777 1.00 0.00 C ATOM 584 C PHE A 40 6.220 9.366 4.704 1.00 0.00 C ATOM 585 O PHE A 40 5.447 8.414 4.551 1.00 0.00 O ATOM 586 CB PHE A 40 6.699 10.307 2.365 1.00 0.00 C ATOM 587 CG PHE A 40 5.863 9.334 1.521 1.00 0.00 C ATOM 588 CD1 PHE A 40 4.684 9.763 0.908 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.239 7.996 1.357 1.00 0.00 C ATOM 590 CE1 PHE A 40 3.910 8.893 0.165 1.00 0.00 C ATOM 591 CE2 PHE A 40 5.461 7.128 0.607 1.00 0.00 C ATOM 592 CZ PHE A 40 4.297 7.577 0.014 1.00 0.00 C ATOM 0 H PHE A 40 7.633 12.037 3.889 1.00 0.00 H new ATOM 0 HA PHE A 40 5.048 10.829 3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.800 11.246 1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.702 9.898 2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.372 10.791 1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.146 7.636 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.000 9.244 -0.299 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.765 6.099 0.486 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.690 6.899 -0.567 1.00 0.00 H new ATOM 602 N LEU A 41 7.194 9.387 5.651 1.00 0.00 N ATOM 603 CA LEU A 41 7.380 8.302 6.645 1.00 0.00 C ATOM 604 C LEU A 41 6.078 8.068 7.449 1.00 0.00 C ATOM 605 O LEU A 41 5.532 6.962 7.445 1.00 0.00 O ATOM 606 CB LEU A 41 8.556 8.618 7.616 1.00 0.00 C ATOM 607 CG LEU A 41 9.962 8.835 6.970 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.032 9.120 8.047 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.367 7.648 6.058 1.00 0.00 C ATOM 0 H LEU A 41 7.865 10.149 5.745 1.00 0.00 H new ATOM 0 HA LEU A 41 7.625 7.393 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.299 9.514 8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.634 7.801 8.333 1.00 0.00 H new ATOM 0 HG LEU A 41 9.896 9.715 6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.000 9.267 7.568 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.761 10.019 8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.091 8.275 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.351 7.838 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.399 6.731 6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.636 7.539 5.257 1.00 0.00 H new ATOM 621 N ASP A 42 5.567 9.145 8.090 1.00 0.00 N ATOM 622 CA ASP A 42 4.344 9.079 8.939 1.00 0.00 C ATOM 623 C ASP A 42 3.088 8.846 8.080 1.00 0.00 C ATOM 624 O ASP A 42 2.127 8.216 8.538 1.00 0.00 O ATOM 625 CB ASP A 42 4.189 10.364 9.806 1.00 0.00 C ATOM 626 CG ASP A 42 3.114 10.243 10.913 1.00 0.00 C ATOM 627 OD1 ASP A 42 3.202 9.308 11.742 1.00 0.00 O ATOM 628 OD2 ASP A 42 2.196 11.087 10.988 1.00 0.00 O ATOM 0 H ASP A 42 5.981 10.076 8.038 1.00 0.00 H new ATOM 0 HA ASP A 42 4.456 8.231 9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.148 10.598 10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.936 11.202 9.156 1.00 0.00 H new ATOM 633 N ILE A 43 3.111 9.344 6.822 1.00 0.00 N ATOM 634 CA ILE A 43 2.066 9.031 5.818 1.00 0.00 C ATOM 635 C ILE A 43 1.998 7.506 5.589 1.00 0.00 C ATOM 636 O ILE A 43 0.908 6.925 5.549 1.00 0.00 O ATOM 637 CB ILE A 43 2.323 9.764 4.441 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.228 11.316 4.612 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.368 9.258 3.326 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.421 12.131 3.339 1.00 0.00 C ATOM 0 H ILE A 43 3.843 9.965 6.477 1.00 0.00 H new ATOM 0 HA ILE A 43 1.116 9.392 6.213 1.00 0.00 H new ATOM 0 HB ILE A 43 3.337 9.519 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.252 11.558 5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.976 11.630 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.579 9.788 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.518 8.189 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.335 9.441 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.336 13.193 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.408 11.928 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.658 11.856 2.611 1.00 0.00 H new ATOM 652 N ALA A 44 3.181 6.858 5.523 1.00 0.00 N ATOM 653 CA ALA A 44 3.295 5.424 5.248 1.00 0.00 C ATOM 654 C ALA A 44 2.819 4.607 6.469 1.00 0.00 C ATOM 655 O ALA A 44 2.146 3.610 6.301 1.00 0.00 O ATOM 656 CB ALA A 44 4.746 5.069 4.875 1.00 0.00 C ATOM 0 H ALA A 44 4.079 7.321 5.660 1.00 0.00 H new ATOM 0 HA ALA A 44 2.656 5.172 4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.819 4.000 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.040 5.627 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.408 5.328 5.702 1.00 0.00 H new ATOM 662 N PHE A 45 3.137 5.093 7.698 1.00 0.00 N ATOM 663 CA PHE A 45 2.689 4.455 8.971 1.00 0.00 C ATOM 664 C PHE A 45 1.152 4.430 9.068 1.00 0.00 C ATOM 665 O PHE A 45 0.570 3.440 9.513 1.00 0.00 O ATOM 666 CB PHE A 45 3.273 5.174 10.227 1.00 0.00 C ATOM 667 CG PHE A 45 4.708 4.802 10.576 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.980 3.661 11.326 1.00 0.00 C ATOM 669 CD2 PHE A 45 5.776 5.588 10.165 1.00 0.00 C ATOM 670 CE1 PHE A 45 6.277 3.319 11.649 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.068 5.247 10.486 1.00 0.00 C ATOM 672 CZ PHE A 45 7.322 4.111 11.228 1.00 0.00 C ATOM 0 H PHE A 45 3.705 5.929 7.837 1.00 0.00 H new ATOM 0 HA PHE A 45 3.068 3.433 8.953 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.222 6.251 10.066 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.637 4.949 11.083 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.165 3.035 11.659 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.589 6.480 9.585 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.473 2.431 12.232 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.887 5.869 10.157 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.338 3.844 11.478 1.00 0.00 H new ATOM 682 N ALA A 46 0.509 5.524 8.631 1.00 0.00 N ATOM 683 CA ALA A 46 -0.960 5.653 8.664 1.00 0.00 C ATOM 684 C ALA A 46 -1.607 4.712 7.638 1.00 0.00 C ATOM 685 O ALA A 46 -2.661 4.133 7.907 1.00 0.00 O ATOM 686 CB ALA A 46 -1.381 7.101 8.415 1.00 0.00 C ATOM 0 H ALA A 46 0.986 6.340 8.247 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.308 5.366 9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.468 7.174 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.954 7.742 9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.021 7.421 7.437 1.00 0.00 H new ATOM 692 N ILE A 47 -0.954 4.556 6.473 1.00 0.00 N ATOM 693 CA ILE A 47 -1.374 3.597 5.433 1.00 0.00 C ATOM 694 C ILE A 47 -1.284 2.147 5.972 1.00 0.00 C ATOM 695 O ILE A 47 -2.223 1.356 5.828 1.00 0.00 O ATOM 696 CB ILE A 47 -0.495 3.757 4.133 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.760 5.144 3.454 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.722 2.598 3.139 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.123 5.465 2.251 1.00 0.00 C ATOM 0 H ILE A 47 -0.121 5.090 6.225 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.410 3.809 5.170 1.00 0.00 H new ATOM 0 HB ILE A 47 0.551 3.718 4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.803 5.181 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.625 5.926 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.098 2.747 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.458 1.654 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.770 2.574 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.142 6.446 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.169 5.468 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.027 4.711 1.478 1.00 0.00 H new ATOM 711 N ASP A 48 -0.153 1.847 6.612 1.00 0.00 N ATOM 712 CA ASP A 48 0.147 0.532 7.207 1.00 0.00 C ATOM 713 C ASP A 48 -0.930 0.105 8.200 1.00 0.00 C ATOM 714 O ASP A 48 -1.514 -0.972 8.085 1.00 0.00 O ATOM 715 CB ASP A 48 1.523 0.572 7.930 1.00 0.00 C ATOM 716 CG ASP A 48 2.746 0.668 7.007 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.593 0.865 5.786 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.875 0.522 7.510 1.00 0.00 O ATOM 0 H ASP A 48 0.601 2.523 6.737 1.00 0.00 H new ATOM 0 HA ASP A 48 0.175 -0.195 6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.533 1.424 8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.620 -0.325 8.542 1.00 0.00 H new ATOM 723 N LYS A 49 -1.201 0.995 9.150 1.00 0.00 N ATOM 724 CA LYS A 49 -2.097 0.722 10.274 1.00 0.00 C ATOM 725 C LYS A 49 -3.579 0.794 9.851 1.00 0.00 C ATOM 726 O LYS A 49 -4.439 0.210 10.527 1.00 0.00 O ATOM 727 CB LYS A 49 -1.764 1.700 11.430 1.00 0.00 C ATOM 728 CG LYS A 49 -0.309 1.555 11.953 1.00 0.00 C ATOM 729 CD LYS A 49 0.059 2.563 13.068 1.00 0.00 C ATOM 730 CE LYS A 49 1.532 2.431 13.516 1.00 0.00 C ATOM 731 NZ LYS A 49 1.861 3.331 14.650 1.00 0.00 N ATOM 0 H LYS A 49 -0.803 1.934 9.163 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.940 -0.298 10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.920 2.723 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.458 1.529 12.253 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.168 0.542 12.331 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.381 1.683 11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.120 3.577 12.711 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.595 2.407 13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.730 1.399 13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.187 2.657 12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.859 3.206 14.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.699 4.319 14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.256 3.100 15.464 1.00 0.00 H new ATOM 745 N ALA A 50 -3.876 1.530 8.755 1.00 0.00 N ATOM 746 CA ALA A 50 -5.225 1.546 8.138 1.00 0.00 C ATOM 747 C ALA A 50 -5.566 0.199 7.468 1.00 0.00 C ATOM 748 O ALA A 50 -6.592 -0.419 7.778 1.00 0.00 O ATOM 749 CB ALA A 50 -5.343 2.701 7.116 1.00 0.00 C ATOM 0 H ALA A 50 -3.197 2.123 8.277 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.947 1.708 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.340 2.696 6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.175 3.652 7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.598 2.570 6.331 1.00 0.00 H new ATOM 755 N PHE A 51 -4.685 -0.255 6.561 1.00 0.00 N ATOM 756 CA PHE A 51 -4.928 -1.446 5.712 1.00 0.00 C ATOM 757 C PHE A 51 -4.379 -2.742 6.349 1.00 0.00 C ATOM 758 O PHE A 51 -4.565 -3.831 5.794 1.00 0.00 O ATOM 759 CB PHE A 51 -4.306 -1.224 4.306 1.00 0.00 C ATOM 760 CG PHE A 51 -4.923 -0.059 3.527 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.418 1.237 3.643 1.00 0.00 C ATOM 762 CD2 PHE A 51 -6.016 -0.262 2.688 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.972 2.285 2.940 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.571 0.786 1.987 1.00 0.00 C ATOM 765 CZ PHE A 51 -6.052 2.058 2.118 1.00 0.00 C ATOM 0 H PHE A 51 -3.783 0.189 6.391 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.007 -1.572 5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.236 -1.047 4.417 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.418 -2.138 3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.578 1.422 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.433 -1.253 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.561 3.279 3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.413 0.612 1.334 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.495 2.879 1.573 1.00 0.00 H new ATOM 775 N GLY A 52 -3.703 -2.621 7.511 1.00 0.00 N ATOM 776 CA GLY A 52 -3.138 -3.780 8.227 1.00 0.00 C ATOM 777 C GLY A 52 -1.890 -4.365 7.559 1.00 0.00 C ATOM 778 O GLY A 52 -1.471 -5.479 7.894 1.00 0.00 O ATOM 0 H GLY A 52 -3.536 -1.727 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.889 -3.481 9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.899 -4.557 8.300 1.00 0.00 H new ATOM 782 N ILE A 53 -1.298 -3.596 6.628 1.00 0.00 N ATOM 783 CA ILE A 53 -0.116 -4.011 5.840 1.00 0.00 C ATOM 784 C ILE A 53 1.140 -3.286 6.353 1.00 0.00 C ATOM 785 O ILE A 53 1.119 -2.663 7.418 1.00 0.00 O ATOM 786 CB ILE A 53 -0.346 -3.758 4.279 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.852 -2.297 3.938 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.317 -4.813 3.712 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.207 -1.203 3.868 1.00 0.00 C ATOM 0 H ILE A 53 -1.627 -2.659 6.397 1.00 0.00 H new ATOM 0 HA ILE A 53 0.033 -5.083 5.971 1.00 0.00 H new ATOM 0 HB ILE A 53 0.629 -3.855 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.369 -2.332 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.589 -2.009 4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.468 -4.633 2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.897 -5.809 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.273 -4.744 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.268 -0.252 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.712 -1.123 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.935 -1.451 3.096 1.00 0.00 H new ATOM 801 N LYS A 54 2.240 -3.419 5.606 1.00 0.00 N ATOM 802 CA LYS A 54 3.442 -2.597 5.782 1.00 0.00 C ATOM 803 C LYS A 54 4.006 -2.277 4.401 1.00 0.00 C ATOM 804 O LYS A 54 4.197 -3.201 3.599 1.00 0.00 O ATOM 805 CB LYS A 54 4.516 -3.313 6.644 1.00 0.00 C ATOM 806 CG LYS A 54 5.748 -2.427 6.968 1.00 0.00 C ATOM 807 CD LYS A 54 6.878 -3.202 7.674 1.00 0.00 C ATOM 808 CE LYS A 54 7.492 -4.290 6.776 1.00 0.00 C ATOM 809 NZ LYS A 54 8.589 -5.011 7.456 1.00 0.00 N ATOM 0 H LYS A 54 2.322 -4.105 4.856 1.00 0.00 H new ATOM 0 HA LYS A 54 3.170 -1.683 6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.060 -3.641 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.851 -4.209 6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.133 -1.997 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.435 -1.596 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.658 -2.504 7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.488 -3.662 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.718 -4.999 6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.869 -3.835 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.976 -5.735 6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.340 -4.339 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.224 -5.467 8.316 1.00 0.00 H new ATOM 823 N LEU A 55 4.245 -0.984 4.112 1.00 0.00 N ATOM 824 CA LEU A 55 4.965 -0.566 2.905 1.00 0.00 C ATOM 825 C LEU A 55 6.471 -0.796 3.151 1.00 0.00 C ATOM 826 O LEU A 55 7.019 -0.197 4.090 1.00 0.00 O ATOM 827 CB LEU A 55 4.703 0.945 2.581 1.00 0.00 C ATOM 828 CG LEU A 55 3.211 1.420 2.514 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.110 2.924 2.158 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.376 0.566 1.538 1.00 0.00 C ATOM 0 H LEU A 55 3.946 -0.210 4.705 1.00 0.00 H new ATOM 0 HA LEU A 55 4.616 -1.148 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.214 1.545 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.172 1.170 1.623 1.00 0.00 H new ATOM 0 HG LEU A 55 2.791 1.281 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.061 3.219 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.626 3.513 2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.572 3.100 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.349 0.930 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.801 0.638 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.387 -0.474 1.863 1.00 0.00 H new ATOM 842 N PRO A 56 7.161 -1.701 2.381 1.00 0.00 N ATOM 843 CA PRO A 56 8.625 -1.821 2.451 1.00 0.00 C ATOM 844 C PRO A 56 9.283 -0.583 1.813 1.00 0.00 C ATOM 845 O PRO A 56 9.763 -0.618 0.680 1.00 0.00 O ATOM 846 CB PRO A 56 8.923 -3.144 1.709 1.00 0.00 C ATOM 847 CG PRO A 56 7.784 -3.310 0.750 1.00 0.00 C ATOM 848 CD PRO A 56 6.578 -2.675 1.421 1.00 0.00 C ATOM 0 HA PRO A 56 9.029 -1.853 3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.878 -3.097 1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.981 -3.982 2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.001 -2.826 -0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.603 -4.364 0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.934 -2.180 0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.969 -3.421 1.932 1.00 0.00 H new ATOM 856 N LEU A 57 9.278 0.512 2.589 1.00 0.00 N ATOM 857 CA LEU A 57 9.593 1.868 2.111 1.00 0.00 C ATOM 858 C LEU A 57 11.078 1.951 1.715 1.00 0.00 C ATOM 859 O LEU A 57 11.396 2.445 0.636 1.00 0.00 O ATOM 860 CB LEU A 57 9.211 2.915 3.223 1.00 0.00 C ATOM 861 CG LEU A 57 8.923 4.400 2.782 1.00 0.00 C ATOM 862 CD1 LEU A 57 10.180 5.147 2.297 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.796 4.442 1.732 1.00 0.00 C ATOM 0 H LEU A 57 9.051 0.480 3.583 1.00 0.00 H new ATOM 0 HA LEU A 57 9.008 2.101 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.326 2.544 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.021 2.936 3.953 1.00 0.00 H new ATOM 0 HG LEU A 57 8.591 4.935 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.911 6.163 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.916 5.181 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.604 4.627 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.610 5.475 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.093 3.864 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.887 4.016 2.157 1.00 0.00 H new ATOM 875 N GLU A 58 11.962 1.413 2.583 1.00 0.00 N ATOM 876 CA GLU A 58 13.419 1.403 2.346 1.00 0.00 C ATOM 877 C GLU A 58 13.765 0.571 1.096 1.00 0.00 C ATOM 878 O GLU A 58 14.594 0.984 0.287 1.00 0.00 O ATOM 879 CB GLU A 58 14.170 0.852 3.586 1.00 0.00 C ATOM 880 CG GLU A 58 14.077 1.741 4.842 1.00 0.00 C ATOM 881 CD GLU A 58 14.745 1.107 6.074 1.00 0.00 C ATOM 882 OE1 GLU A 58 15.980 0.901 6.048 1.00 0.00 O ATOM 883 OE2 GLU A 58 14.041 0.789 7.063 1.00 0.00 O ATOM 0 H GLU A 58 11.686 0.976 3.462 1.00 0.00 H new ATOM 0 HA GLU A 58 13.741 2.430 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.773 -0.135 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.221 0.719 3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.546 2.703 4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.028 1.938 5.065 1.00 0.00 H new ATOM 890 N LYS A 59 13.096 -0.588 0.949 1.00 0.00 N ATOM 891 CA LYS A 59 13.219 -1.471 -0.234 1.00 0.00 C ATOM 892 C LYS A 59 12.927 -0.697 -1.535 1.00 0.00 C ATOM 893 O LYS A 59 13.737 -0.710 -2.470 1.00 0.00 O ATOM 894 CB LYS A 59 12.235 -2.665 -0.105 1.00 0.00 C ATOM 895 CG LYS A 59 12.067 -3.526 -1.382 1.00 0.00 C ATOM 896 CD LYS A 59 10.926 -4.561 -1.264 1.00 0.00 C ATOM 897 CE LYS A 59 10.673 -5.294 -2.590 1.00 0.00 C ATOM 898 NZ LYS A 59 11.886 -6.001 -3.067 1.00 0.00 N ATOM 0 H LYS A 59 12.448 -0.944 1.652 1.00 0.00 H new ATOM 0 HA LYS A 59 14.243 -1.843 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.576 -3.309 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.257 -2.279 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.871 -2.872 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.002 -4.046 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.174 -5.287 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.012 -4.058 -0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.862 -6.010 -2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.349 -4.578 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.654 -6.552 -3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.626 -5.306 -3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.230 -6.641 -2.323 1.00 0.00 H new ATOM 912 N TRP A 60 11.763 -0.024 -1.549 1.00 0.00 N ATOM 913 CA TRP A 60 11.284 0.776 -2.692 1.00 0.00 C ATOM 914 C TRP A 60 12.272 1.896 -3.020 1.00 0.00 C ATOM 915 O TRP A 60 12.606 2.124 -4.186 1.00 0.00 O ATOM 916 CB TRP A 60 9.900 1.387 -2.374 1.00 0.00 C ATOM 917 CG TRP A 60 8.787 0.386 -2.218 1.00 0.00 C ATOM 918 CD1 TRP A 60 8.829 -0.965 -2.427 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.444 0.688 -1.845 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.599 -1.510 -2.193 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.733 -0.517 -1.841 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.776 1.872 -1.524 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.391 -0.584 -1.520 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.441 1.809 -1.201 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.761 0.585 -1.205 1.00 0.00 C ATOM 0 H TRP A 60 11.120 -0.020 -0.757 1.00 0.00 H new ATOM 0 HA TRP A 60 11.199 0.116 -3.555 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.978 1.968 -1.455 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.635 2.083 -3.170 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.705 -1.519 -2.732 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.366 -2.500 -2.269 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.298 2.818 -1.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.861 -1.525 -1.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.911 2.714 -0.941 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.711 0.565 -0.952 1.00 0.00 H new ATOM 936 N THR A 61 12.742 2.554 -1.953 1.00 0.00 N ATOM 937 CA THR A 61 13.716 3.644 -2.023 1.00 0.00 C ATOM 938 C THR A 61 15.031 3.178 -2.689 1.00 0.00 C ATOM 939 O THR A 61 15.611 3.906 -3.497 1.00 0.00 O ATOM 940 CB THR A 61 13.999 4.209 -0.589 1.00 0.00 C ATOM 941 OG1 THR A 61 12.810 4.811 -0.038 1.00 0.00 O ATOM 942 CG2 THR A 61 15.133 5.235 -0.570 1.00 0.00 C ATOM 0 H THR A 61 12.449 2.338 -1.000 1.00 0.00 H new ATOM 0 HA THR A 61 13.293 4.438 -2.639 1.00 0.00 H new ATOM 0 HB THR A 61 14.307 3.359 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.172 4.109 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.284 5.591 0.449 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.050 4.770 -0.932 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.874 6.076 -1.214 1.00 0.00 H new ATOM 950 N GLN A 62 15.448 1.929 -2.398 1.00 0.00 N ATOM 951 CA GLN A 62 16.698 1.365 -2.918 1.00 0.00 C ATOM 952 C GLN A 62 16.531 0.996 -4.396 1.00 0.00 C ATOM 953 O GLN A 62 17.417 1.262 -5.183 1.00 0.00 O ATOM 954 CB GLN A 62 17.129 0.119 -2.094 1.00 0.00 C ATOM 955 CG GLN A 62 17.571 0.416 -0.655 1.00 0.00 C ATOM 956 CD GLN A 62 18.759 1.373 -0.588 1.00 0.00 C ATOM 957 OE1 GLN A 62 18.586 2.591 -0.499 1.00 0.00 O ATOM 958 NE2 GLN A 62 19.974 0.842 -0.681 1.00 0.00 N ATOM 0 H GLN A 62 14.926 1.290 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 62 17.481 2.118 -2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.297 -0.585 -2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.948 -0.377 -2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.734 0.844 -0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.835 -0.519 -0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.084 -0.169 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.796 1.446 -0.680 1.00 0.00 H new ATOM 967 N GLU A 63 15.371 0.399 -4.753 1.00 0.00 N ATOM 968 CA GLU A 63 15.050 0.016 -6.153 1.00 0.00 C ATOM 969 C GLU A 63 15.035 1.253 -7.079 1.00 0.00 C ATOM 970 O GLU A 63 15.441 1.180 -8.248 1.00 0.00 O ATOM 971 CB GLU A 63 13.692 -0.736 -6.222 1.00 0.00 C ATOM 972 CG GLU A 63 13.665 -2.072 -5.456 1.00 0.00 C ATOM 973 CD GLU A 63 12.278 -2.740 -5.434 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.435 -2.347 -4.597 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.010 -3.636 -6.269 1.00 0.00 O ATOM 0 H GLU A 63 14.634 0.169 -4.086 1.00 0.00 H new ATOM 0 HA GLU A 63 15.833 -0.657 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.911 -0.088 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.448 -0.925 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.382 -2.756 -5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.993 -1.900 -4.431 1.00 0.00 H new ATOM 982 N VAL A 64 14.577 2.380 -6.520 1.00 0.00 N ATOM 983 CA VAL A 64 14.626 3.696 -7.169 1.00 0.00 C ATOM 984 C VAL A 64 16.092 4.170 -7.331 1.00 0.00 C ATOM 985 O VAL A 64 16.497 4.603 -8.421 1.00 0.00 O ATOM 986 CB VAL A 64 13.776 4.747 -6.351 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.999 6.188 -6.847 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.269 4.386 -6.394 1.00 0.00 C ATOM 0 H VAL A 64 14.156 2.404 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 64 14.190 3.609 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 64 14.121 4.702 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.394 6.874 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 64 15.052 6.450 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.709 6.261 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.702 5.122 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.925 4.384 -7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.119 3.398 -5.959 1.00 0.00 H new ATOM 998 N ASN A 65 16.873 4.065 -6.237 1.00 0.00 N ATOM 999 CA ASN A 65 18.312 4.426 -6.207 1.00 0.00 C ATOM 1000 C ASN A 65 19.157 3.552 -7.164 1.00 0.00 C ATOM 1001 O ASN A 65 20.192 4.005 -7.662 1.00 0.00 O ATOM 1002 CB ASN A 65 18.879 4.329 -4.753 1.00 0.00 C ATOM 1003 CG ASN A 65 18.302 5.378 -3.790 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.959 6.491 -4.190 1.00 0.00 O ATOM 1005 ND2 ASN A 65 18.193 5.032 -2.511 1.00 0.00 N ATOM 0 H ASN A 65 16.524 3.725 -5.341 1.00 0.00 H new ATOM 0 HA ASN A 65 18.384 5.457 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.672 3.334 -4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.963 4.439 -4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.817 5.695 -1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.485 4.103 -2.207 1.00 0.00 H new ATOM 1012 N ASP A 66 18.719 2.302 -7.409 1.00 0.00 N ATOM 1013 CA ASP A 66 19.405 1.355 -8.328 1.00 0.00 C ATOM 1014 C ASP A 66 18.942 1.530 -9.790 1.00 0.00 C ATOM 1015 O ASP A 66 19.483 0.870 -10.694 1.00 0.00 O ATOM 1016 CB ASP A 66 19.142 -0.121 -7.891 1.00 0.00 C ATOM 1017 CG ASP A 66 19.790 -0.528 -6.557 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.024 -0.413 -6.435 1.00 0.00 O ATOM 1019 OD2 ASP A 66 19.080 -1.012 -5.640 1.00 0.00 O ATOM 0 H ASP A 66 17.880 1.914 -6.978 1.00 0.00 H new ATOM 0 HA ASP A 66 20.470 1.579 -8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.066 -0.276 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.507 -0.786 -8.673 1.00 0.00 H new ATOM 1024 N GLY A 67 17.945 2.407 -10.022 1.00 0.00 N ATOM 1025 CA GLY A 67 17.339 2.591 -11.349 1.00 0.00 C ATOM 1026 C GLY A 67 16.544 1.384 -11.858 1.00 0.00 C ATOM 1027 O GLY A 67 16.174 1.339 -13.037 1.00 0.00 O ATOM 0 H GLY A 67 17.542 3.002 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.678 3.457 -11.316 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.128 2.819 -12.066 1.00 0.00 H new ATOM 1031 N LYS A 68 16.285 0.406 -10.965 1.00 0.00 N ATOM 1032 CA LYS A 68 15.509 -0.812 -11.292 1.00 0.00 C ATOM 1033 C LYS A 68 14.020 -0.471 -11.395 1.00 0.00 C ATOM 1034 O LYS A 68 13.279 -1.072 -12.175 1.00 0.00 O ATOM 1035 CB LYS A 68 15.723 -1.886 -10.197 1.00 0.00 C ATOM 1036 CG LYS A 68 17.184 -2.363 -10.035 1.00 0.00 C ATOM 1037 CD LYS A 68 17.329 -3.493 -8.984 1.00 0.00 C ATOM 1038 CE LYS A 68 16.765 -3.113 -7.604 1.00 0.00 C ATOM 1039 NZ LYS A 68 16.915 -4.208 -6.618 1.00 0.00 N ATOM 0 H LYS A 68 16.607 0.437 -9.998 1.00 0.00 H new ATOM 0 HA LYS A 68 15.854 -1.203 -12.249 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.378 -1.486 -9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.097 -2.748 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.556 -2.717 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.808 -1.518 -9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.817 -4.385 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.383 -3.751 -8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.276 -2.223 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.710 -2.857 -7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.522 -3.908 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.406 -5.050 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.923 -4.436 -6.503 1.00 0.00 H new ATOM 1053 N ALA A 69 13.614 0.516 -10.594 1.00 0.00 N ATOM 1054 CA ALA A 69 12.233 0.989 -10.502 1.00 0.00 C ATOM 1055 C ALA A 69 12.210 2.514 -10.579 1.00 0.00 C ATOM 1056 O ALA A 69 13.107 3.177 -10.040 1.00 0.00 O ATOM 1057 CB ALA A 69 11.605 0.506 -9.193 1.00 0.00 C ATOM 0 H ALA A 69 14.252 1.020 -9.977 1.00 0.00 H new ATOM 0 HA ALA A 69 11.653 0.587 -11.332 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.576 0.861 -9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.615 -0.584 -9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.176 0.896 -8.350 1.00 0.00 H new ATOM 1063 N THR A 70 11.204 3.057 -11.271 1.00 0.00 N ATOM 1064 CA THR A 70 10.965 4.506 -11.365 1.00 0.00 C ATOM 1065 C THR A 70 10.457 5.053 -10.008 1.00 0.00 C ATOM 1066 O THR A 70 9.849 4.302 -9.227 1.00 0.00 O ATOM 1067 CB THR A 70 9.911 4.785 -12.503 1.00 0.00 C ATOM 1068 OG1 THR A 70 10.292 4.083 -13.695 1.00 0.00 O ATOM 1069 CG2 THR A 70 9.758 6.282 -12.846 1.00 0.00 C ATOM 0 H THR A 70 10.524 2.500 -11.788 1.00 0.00 H new ATOM 0 HA THR A 70 11.898 5.014 -11.609 1.00 0.00 H new ATOM 0 HB THR A 70 8.951 4.436 -12.123 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.635 4.256 -14.401 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.017 6.400 -13.637 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.433 6.827 -11.960 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.716 6.677 -13.184 1.00 0.00 H new ATOM 1077 N THR A 71 10.720 6.355 -9.731 1.00 0.00 N ATOM 1078 CA THR A 71 10.181 7.037 -8.537 1.00 0.00 C ATOM 1079 C THR A 71 8.643 6.936 -8.527 1.00 0.00 C ATOM 1080 O THR A 71 8.047 6.476 -7.554 1.00 0.00 O ATOM 1081 CB THR A 71 10.592 8.549 -8.482 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.131 9.230 -9.666 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.106 8.748 -8.327 1.00 0.00 C ATOM 0 H THR A 71 11.302 6.950 -10.321 1.00 0.00 H new ATOM 0 HA THR A 71 10.603 6.539 -7.664 1.00 0.00 H new ATOM 0 HB THR A 71 10.118 8.974 -7.597 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.391 10.174 -9.622 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.331 9.814 -8.295 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.442 8.278 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.621 8.294 -9.173 1.00 0.00 H new ATOM 1091 N GLU A 72 8.043 7.350 -9.660 1.00 0.00 N ATOM 1092 CA GLU A 72 6.589 7.313 -9.920 1.00 0.00 C ATOM 1093 C GLU A 72 5.920 5.959 -9.599 1.00 0.00 C ATOM 1094 O GLU A 72 4.791 5.936 -9.090 1.00 0.00 O ATOM 1095 CB GLU A 72 6.322 7.696 -11.401 1.00 0.00 C ATOM 1096 CG GLU A 72 6.858 9.080 -11.814 1.00 0.00 C ATOM 1097 CD GLU A 72 6.371 9.508 -13.202 1.00 0.00 C ATOM 1098 OE1 GLU A 72 7.021 9.153 -14.213 1.00 0.00 O ATOM 1099 OE2 GLU A 72 5.311 10.171 -13.292 1.00 0.00 O ATOM 0 H GLU A 72 8.572 7.731 -10.444 1.00 0.00 H new ATOM 0 HA GLU A 72 6.137 8.035 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.772 6.940 -12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.247 7.669 -11.581 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.546 9.821 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.948 9.061 -11.805 1.00 0.00 H new ATOM 1106 N GLN A 73 6.645 4.859 -9.867 1.00 0.00 N ATOM 1107 CA GLN A 73 6.144 3.472 -9.676 1.00 0.00 C ATOM 1108 C GLN A 73 5.648 3.227 -8.231 1.00 0.00 C ATOM 1109 O GLN A 73 4.783 2.377 -7.989 1.00 0.00 O ATOM 1110 CB GLN A 73 7.251 2.447 -10.042 1.00 0.00 C ATOM 1111 CG GLN A 73 6.774 0.975 -10.125 1.00 0.00 C ATOM 1112 CD GLN A 73 7.892 -0.011 -10.472 1.00 0.00 C ATOM 1113 OE1 GLN A 73 8.185 -0.247 -11.642 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.499 -0.615 -9.465 1.00 0.00 N ATOM 0 H GLN A 73 7.600 4.899 -10.224 1.00 0.00 H new ATOM 0 HA GLN A 73 5.291 3.339 -10.342 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.684 2.728 -11.002 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.048 2.514 -9.301 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.333 0.690 -9.170 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.987 0.898 -10.875 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.233 -0.397 -8.505 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.233 -1.299 -9.648 1.00 0.00 H new ATOM 1123 N TYR A 74 6.212 3.986 -7.275 1.00 0.00 N ATOM 1124 CA TYR A 74 5.817 3.921 -5.858 1.00 0.00 C ATOM 1125 C TYR A 74 5.145 5.216 -5.398 1.00 0.00 C ATOM 1126 O TYR A 74 4.153 5.181 -4.680 1.00 0.00 O ATOM 1127 CB TYR A 74 7.062 3.646 -4.984 1.00 0.00 C ATOM 1128 CG TYR A 74 7.841 2.408 -5.430 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.231 1.152 -5.443 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.164 2.493 -5.866 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.910 0.037 -5.857 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.842 1.374 -6.287 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.210 0.150 -6.279 1.00 0.00 C ATOM 1134 OH TYR A 74 9.877 -0.967 -6.706 1.00 0.00 O ATOM 0 H TYR A 74 6.953 4.661 -7.463 1.00 0.00 H new ATOM 0 HA TYR A 74 5.096 3.111 -5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.720 4.514 -5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.751 3.519 -3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.205 1.058 -5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.662 3.451 -5.873 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.424 -0.927 -5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.865 1.454 -6.623 1.00 0.00 H new ATOM 0 HH TYR A 74 9.239 -1.600 -7.096 1.00 0.00 H new ATOM 1144 N PHE A 75 5.696 6.366 -5.822 1.00 0.00 N ATOM 1145 CA PHE A 75 5.383 7.677 -5.218 1.00 0.00 C ATOM 1146 C PHE A 75 4.327 8.470 -6.015 1.00 0.00 C ATOM 1147 O PHE A 75 4.134 9.638 -5.740 1.00 0.00 O ATOM 1148 CB PHE A 75 6.686 8.513 -5.074 1.00 0.00 C ATOM 1149 CG PHE A 75 7.814 7.841 -4.277 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.585 7.316 -3.000 1.00 0.00 C ATOM 1151 CD2 PHE A 75 9.104 7.743 -4.802 1.00 0.00 C ATOM 1152 CE1 PHE A 75 8.608 6.715 -2.285 1.00 0.00 C ATOM 1153 CE2 PHE A 75 10.124 7.145 -4.089 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.879 6.629 -2.830 1.00 0.00 C ATOM 0 H PHE A 75 6.367 6.416 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 75 4.952 7.483 -4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.059 8.749 -6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.439 9.460 -4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.598 7.380 -2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.308 8.143 -5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.415 6.313 -1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.114 7.080 -4.515 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.676 6.160 -2.273 1.00 0.00 H new ATOM 1164 N VAL A 76 3.647 7.848 -6.995 1.00 0.00 N ATOM 1165 CA VAL A 76 2.451 8.456 -7.638 1.00 0.00 C ATOM 1166 C VAL A 76 1.227 7.761 -7.059 1.00 0.00 C ATOM 1167 O VAL A 76 1.169 6.552 -7.078 1.00 0.00 O ATOM 1168 CB VAL A 76 2.453 8.364 -9.211 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.076 8.724 -9.822 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.539 9.279 -9.806 1.00 0.00 C ATOM 0 H VAL A 76 3.897 6.930 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 76 2.450 9.525 -7.423 1.00 0.00 H new ATOM 0 HB VAL A 76 2.670 7.327 -9.466 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.128 8.646 -10.908 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.319 8.036 -9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.810 9.744 -9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.525 9.201 -10.893 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.346 10.311 -9.513 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.517 8.973 -9.433 1.00 0.00 H new ATOM 1180 N LEU A 77 0.257 8.556 -6.593 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.852 8.117 -5.713 1.00 0.00 C ATOM 1182 C LEU A 77 -1.690 6.933 -6.261 1.00 0.00 C ATOM 1183 O LEU A 77 -2.215 6.143 -5.471 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.760 9.331 -5.406 1.00 0.00 C ATOM 1185 CG LEU A 77 -1.019 10.587 -4.847 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.998 11.726 -4.555 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -0.159 10.238 -3.609 1.00 0.00 C ATOM 0 H LEU A 77 0.213 9.550 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.391 7.731 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.284 9.614 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.518 9.025 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.336 10.936 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.451 12.585 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.513 12.008 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.729 11.397 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.341 11.137 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.799 9.838 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.588 9.493 -3.883 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.800 6.815 -7.602 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.519 5.688 -8.254 1.00 0.00 C ATOM 1201 C LYS A 78 -1.657 4.405 -8.197 1.00 0.00 C ATOM 1202 O LYS A 78 -2.167 3.305 -7.951 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.899 6.044 -9.725 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.701 6.434 -10.627 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.120 6.893 -12.042 1.00 0.00 C ATOM 1206 CE LYS A 78 -0.921 7.297 -12.922 1.00 0.00 C ATOM 1207 NZ LYS A 78 -1.351 7.714 -14.283 1.00 0.00 N ATOM 0 H LYS A 78 -1.401 7.485 -8.259 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.446 5.506 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.409 5.190 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.611 6.870 -9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.139 7.234 -10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.029 5.580 -10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.669 6.088 -12.532 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.803 7.738 -11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.379 8.114 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.229 6.459 -13.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.810 7.184 -14.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.365 7.517 -14.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.179 8.733 -14.404 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.336 4.584 -8.395 1.00 0.00 N ATOM 1222 CA ASN A 79 0.669 3.504 -8.327 1.00 0.00 C ATOM 1223 C ASN A 79 0.892 3.075 -6.873 1.00 0.00 C ATOM 1224 O ASN A 79 1.077 1.900 -6.600 1.00 0.00 O ATOM 1225 CB ASN A 79 2.014 3.969 -8.958 1.00 0.00 C ATOM 1226 CG ASN A 79 1.931 4.187 -10.471 1.00 0.00 C ATOM 1227 OD1 ASN A 79 1.216 3.469 -11.166 1.00 0.00 O ATOM 1228 ND2 ASN A 79 2.650 5.172 -10.996 1.00 0.00 N ATOM 0 H ASN A 79 0.069 5.495 -8.610 1.00 0.00 H new ATOM 0 HA ASN A 79 0.295 2.651 -8.893 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.329 4.897 -8.481 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.782 3.225 -8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.617 5.348 -12.000 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.235 5.753 -10.395 1.00 0.00 H new ATOM 1235 N LEU A 80 0.844 4.059 -5.957 1.00 0.00 N ATOM 1236 CA LEU A 80 1.010 3.864 -4.510 1.00 0.00 C ATOM 1237 C LEU A 80 -0.140 3.014 -3.982 1.00 0.00 C ATOM 1238 O LEU A 80 0.085 2.034 -3.284 1.00 0.00 O ATOM 1239 CB LEU A 80 1.041 5.237 -3.770 1.00 0.00 C ATOM 1240 CG LEU A 80 1.179 5.187 -2.205 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.484 4.482 -1.754 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.061 6.606 -1.588 1.00 0.00 C ATOM 0 H LEU A 80 0.685 5.034 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 80 1.957 3.356 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.872 5.820 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.127 5.777 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 80 0.350 4.586 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.535 4.472 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.492 3.458 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.344 5.020 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.160 6.541 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.850 7.243 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.089 7.032 -1.839 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.375 3.390 -4.380 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.602 2.660 -4.020 1.00 0.00 C ATOM 1256 C ALA A 81 -2.564 1.213 -4.547 1.00 0.00 C ATOM 1257 O ALA A 81 -3.042 0.285 -3.881 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.835 3.411 -4.544 1.00 0.00 C ATOM 0 H ALA A 81 -1.545 4.211 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.667 2.607 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.737 2.863 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.869 4.407 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.775 3.497 -5.629 1.00 0.00 H new ATOM 1264 N ALA A 82 -1.970 1.040 -5.740 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.749 -0.277 -6.346 1.00 0.00 C ATOM 1266 C ALA A 82 -0.687 -1.090 -5.570 1.00 0.00 C ATOM 1267 O ALA A 82 -0.840 -2.296 -5.423 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.336 -0.116 -7.817 1.00 0.00 C ATOM 0 H ALA A 82 -1.630 1.814 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.686 -0.832 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.174 -1.099 -8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.126 0.401 -8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.415 0.464 -7.875 1.00 0.00 H new ATOM 1274 N ARG A 83 0.377 -0.407 -5.072 1.00 0.00 N ATOM 1275 CA ARG A 83 1.456 -1.046 -4.269 1.00 0.00 C ATOM 1276 C ARG A 83 0.904 -1.582 -2.948 1.00 0.00 C ATOM 1277 O ARG A 83 1.235 -2.695 -2.538 1.00 0.00 O ATOM 1278 CB ARG A 83 2.625 -0.062 -3.969 1.00 0.00 C ATOM 1279 CG ARG A 83 3.437 0.446 -5.179 1.00 0.00 C ATOM 1280 CD ARG A 83 4.085 -0.672 -6.029 1.00 0.00 C ATOM 1281 NE ARG A 83 3.114 -1.428 -6.850 1.00 0.00 N ATOM 1282 CZ ARG A 83 2.556 -0.987 -7.994 1.00 0.00 C ATOM 1283 NH1 ARG A 83 2.868 0.201 -8.498 1.00 0.00 N ATOM 1284 NH2 ARG A 83 1.671 -1.740 -8.626 1.00 0.00 N ATOM 0 H ARG A 83 0.512 0.594 -5.214 1.00 0.00 H new ATOM 0 HA ARG A 83 1.844 -1.869 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.215 0.803 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.313 -0.552 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.782 1.038 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.221 1.114 -4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.836 -0.230 -6.684 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.606 -1.364 -5.368 1.00 0.00 H new ATOM 0 HE ARG A 83 2.846 -2.357 -6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.541 0.798 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.434 0.517 -9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.413 -2.651 -8.247 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.246 -1.409 -9.492 1.00 0.00 H new ATOM 1298 N ILE A 84 0.064 -0.769 -2.301 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.645 -1.136 -1.062 1.00 0.00 C ATOM 1300 C ILE A 84 -1.489 -2.395 -1.304 1.00 0.00 C ATOM 1301 O ILE A 84 -1.437 -3.341 -0.526 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.570 0.046 -0.586 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.725 1.341 -0.378 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.367 -0.316 0.699 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -1.524 2.624 -0.268 1.00 0.00 C ATOM 0 H ILE A 84 -0.148 0.175 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 84 0.090 -1.337 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.305 0.229 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.129 1.225 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.027 1.437 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.991 0.529 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.998 -1.183 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.671 -0.548 1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.845 3.464 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.100 2.774 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.203 2.558 0.582 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.216 -2.396 -2.440 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.073 -3.521 -2.856 1.00 0.00 C ATOM 1319 C ASP A 85 -2.239 -4.800 -3.124 1.00 0.00 C ATOM 1320 O ASP A 85 -2.675 -5.907 -2.790 1.00 0.00 O ATOM 1321 CB ASP A 85 -3.903 -3.134 -4.110 1.00 0.00 C ATOM 1322 CG ASP A 85 -4.892 -4.237 -4.543 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -5.940 -4.402 -3.881 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -4.623 -4.962 -5.526 1.00 0.00 O ATOM 0 H ASP A 85 -2.224 -1.614 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.759 -3.741 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.457 -2.218 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.225 -2.918 -4.935 1.00 0.00 H new ATOM 1329 N GLU A 86 -1.027 -4.630 -3.706 1.00 0.00 N ATOM 1330 CA GLU A 86 -0.062 -5.733 -3.917 1.00 0.00 C ATOM 1331 C GLU A 86 0.302 -6.383 -2.575 1.00 0.00 C ATOM 1332 O GLU A 86 0.346 -7.603 -2.461 1.00 0.00 O ATOM 1333 CB GLU A 86 1.228 -5.217 -4.618 1.00 0.00 C ATOM 1334 CG GLU A 86 1.038 -4.749 -6.073 1.00 0.00 C ATOM 1335 CD GLU A 86 0.529 -5.863 -6.999 1.00 0.00 C ATOM 1336 OE1 GLU A 86 1.327 -6.758 -7.355 1.00 0.00 O ATOM 1337 OE2 GLU A 86 -0.673 -5.867 -7.356 1.00 0.00 O ATOM 0 H GLU A 86 -0.693 -3.726 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.533 -6.476 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.633 -4.389 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.974 -6.012 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.334 -3.917 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.987 -4.372 -6.455 1.00 0.00 H new ATOM 1344 N LEU A 87 0.519 -5.534 -1.564 1.00 0.00 N ATOM 1345 CA LEU A 87 0.911 -5.958 -0.207 1.00 0.00 C ATOM 1346 C LEU A 87 -0.277 -6.554 0.570 1.00 0.00 C ATOM 1347 O LEU A 87 -0.071 -7.359 1.474 1.00 0.00 O ATOM 1348 CB LEU A 87 1.509 -4.754 0.544 1.00 0.00 C ATOM 1349 CG LEU A 87 2.752 -4.114 -0.141 1.00 0.00 C ATOM 1350 CD1 LEU A 87 3.090 -2.759 0.484 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.970 -5.075 -0.134 1.00 0.00 C ATOM 0 H LEU A 87 0.428 -4.523 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 87 1.660 -6.745 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.738 -3.991 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.788 -5.071 1.549 1.00 0.00 H new ATOM 0 HG LEU A 87 2.498 -3.937 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.962 -2.336 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.243 -2.083 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.306 -2.891 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.817 -4.592 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.234 -5.320 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.716 -5.989 -0.671 1.00 0.00 H new ATOM 1363 N VAL A 88 -1.509 -6.132 0.223 1.00 0.00 N ATOM 1364 CA VAL A 88 -2.757 -6.703 0.784 1.00 0.00 C ATOM 1365 C VAL A 88 -2.917 -8.170 0.316 1.00 0.00 C ATOM 1366 O VAL A 88 -3.113 -9.084 1.140 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.022 -5.820 0.392 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.357 -6.510 0.761 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -3.942 -4.415 1.054 1.00 0.00 C ATOM 0 H VAL A 88 -1.671 -5.386 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.691 -6.694 1.872 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.002 -5.704 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.190 -5.868 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.433 -7.461 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.390 -6.688 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.817 -3.829 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.913 -4.525 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.040 -3.905 0.717 1.00 0.00 H new ATOM 1379 N ALA A 89 -2.754 -8.392 -1.003 1.00 0.00 N ATOM 1380 CA ALA A 89 -2.851 -9.733 -1.624 1.00 0.00 C ATOM 1381 C ALA A 89 -1.684 -10.628 -1.170 1.00 0.00 C ATOM 1382 O ALA A 89 -1.864 -11.819 -0.912 1.00 0.00 O ATOM 1383 CB ALA A 89 -2.867 -9.618 -3.159 1.00 0.00 C ATOM 0 H ALA A 89 -2.551 -7.648 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.785 -10.191 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.939 -10.613 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.725 -9.022 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.949 -9.138 -3.497 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.488 -10.014 -1.074 1.00 0.00 N ATOM 1390 CA ALA A 90 0.740 -10.673 -0.584 1.00 0.00 C ATOM 1391 C ALA A 90 0.585 -11.140 0.871 1.00 0.00 C ATOM 1392 O ALA A 90 1.006 -12.239 1.223 1.00 0.00 O ATOM 1393 CB ALA A 90 1.952 -9.727 -0.709 1.00 0.00 C ATOM 0 H ALA A 90 -0.346 -9.039 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 90 0.910 -11.552 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.846 -10.231 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.093 -9.452 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.775 -8.828 -0.118 1.00 0.00 H new ATOM 1399 N LYS A 91 -0.044 -10.279 1.687 1.00 0.00 N ATOM 1400 CA LYS A 91 -0.336 -10.545 3.116 1.00 0.00 C ATOM 1401 C LYS A 91 -1.330 -11.719 3.282 1.00 0.00 C ATOM 1402 O LYS A 91 -1.296 -12.431 4.295 1.00 0.00 O ATOM 1403 CB LYS A 91 -0.915 -9.255 3.760 1.00 0.00 C ATOM 1404 CG LYS A 91 -1.203 -9.323 5.278 1.00 0.00 C ATOM 1405 CD LYS A 91 -1.748 -7.980 5.831 1.00 0.00 C ATOM 1406 CE LYS A 91 -3.088 -7.565 5.206 1.00 0.00 C ATOM 1407 NZ LYS A 91 -4.193 -8.468 5.601 1.00 0.00 N ATOM 0 H LYS A 91 -0.371 -9.365 1.374 1.00 0.00 H new ATOM 0 HA LYS A 91 0.590 -10.829 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.216 -8.438 3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.842 -9.001 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.926 -10.115 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.288 -9.588 5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.869 -8.062 6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.013 -7.196 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.328 -6.546 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.995 -7.561 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.077 -8.150 5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.978 -9.437 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.301 -8.453 6.635 1.00 0.00 H new ATOM 1421 N GLY A 92 -2.211 -11.909 2.281 1.00 0.00 N ATOM 1422 CA GLY A 92 -3.181 -13.009 2.291 1.00 0.00 C ATOM 1423 C GLY A 92 -2.710 -14.256 1.535 1.00 0.00 C ATOM 1424 O GLY A 92 -3.334 -15.320 1.667 1.00 0.00 O ATOM 0 H GLY A 92 -2.267 -11.311 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.396 -13.282 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.116 -12.661 1.852 1.00 0.00 H new ATOM 1428 N ALA A 93 -1.587 -14.144 0.777 1.00 0.00 N ATOM 1429 CA ALA A 93 -1.117 -15.201 -0.150 1.00 0.00 C ATOM 1430 C ALA A 93 0.230 -14.806 -0.774 1.00 0.00 C ATOM 1431 O ALA A 93 0.293 -13.891 -1.593 1.00 0.00 O ATOM 1432 CB ALA A 93 -2.157 -15.472 -1.267 1.00 0.00 C ATOM 0 H ALA A 93 -0.986 -13.320 0.793 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.989 -16.117 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.783 -16.252 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.096 -15.796 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.324 -14.559 -1.838 1.00 0.00 H new ATOM 1438 N LEU A 94 1.312 -15.478 -0.354 1.00 0.00 N ATOM 1439 CA LEU A 94 2.642 -15.363 -0.993 1.00 0.00 C ATOM 1440 C LEU A 94 2.918 -16.607 -1.854 1.00 0.00 C ATOM 1441 O LEU A 94 2.265 -17.653 -1.677 1.00 0.00 O ATOM 1442 CB LEU A 94 3.762 -15.179 0.074 1.00 0.00 C ATOM 1443 CG LEU A 94 3.871 -13.752 0.700 1.00 0.00 C ATOM 1444 CD1 LEU A 94 4.916 -13.708 1.832 1.00 0.00 C ATOM 1445 CD2 LEU A 94 4.185 -12.692 -0.386 1.00 0.00 C ATOM 0 H LEU A 94 1.295 -16.119 0.439 1.00 0.00 H new ATOM 0 HA LEU A 94 2.642 -14.480 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.595 -15.897 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.719 -15.430 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 94 2.902 -13.512 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.964 -12.700 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.631 -14.407 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.893 -13.986 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.256 -11.707 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.132 -12.935 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.389 -12.687 -1.131 1.00 0.00 H new ATOM 1457 N GLU A 95 3.892 -16.470 -2.780 1.00 0.00 N ATOM 1458 CA GLU A 95 4.389 -17.584 -3.608 1.00 0.00 C ATOM 1459 C GLU A 95 4.911 -18.726 -2.701 1.00 0.00 C ATOM 1460 O GLU A 95 5.857 -18.529 -1.921 1.00 0.00 O ATOM 1461 CB GLU A 95 5.481 -17.083 -4.611 1.00 0.00 C ATOM 1462 CG GLU A 95 6.594 -16.222 -3.977 1.00 0.00 C ATOM 1463 CD GLU A 95 7.719 -15.827 -4.949 1.00 0.00 C ATOM 1464 OE1 GLU A 95 7.601 -14.785 -5.628 1.00 0.00 O ATOM 1465 OE2 GLU A 95 8.728 -16.566 -5.047 1.00 0.00 O ATOM 0 H GLU A 95 4.355 -15.582 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 95 3.568 -17.982 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.939 -17.948 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.995 -16.504 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.148 -15.315 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.028 -16.769 -3.140 1.00 0.00 H new ATOM 1472 N HIS A 96 4.217 -19.889 -2.784 1.00 0.00 N ATOM 1473 CA HIS A 96 4.435 -21.087 -1.940 1.00 0.00 C ATOM 1474 C HIS A 96 3.945 -20.850 -0.494 1.00 0.00 C ATOM 1475 O HIS A 96 2.967 -21.461 -0.055 1.00 0.00 O ATOM 1476 CB HIS A 96 5.914 -21.581 -1.972 1.00 0.00 C ATOM 1477 CG HIS A 96 6.410 -21.989 -3.343 1.00 0.00 C ATOM 1478 ND1 HIS A 96 7.679 -21.699 -3.802 1.00 0.00 N ATOM 1479 CD2 HIS A 96 5.799 -22.663 -4.353 1.00 0.00 C ATOM 1480 CE1 HIS A 96 7.832 -22.179 -5.018 1.00 0.00 C ATOM 1481 NE2 HIS A 96 6.708 -22.766 -5.376 1.00 0.00 N ATOM 0 H HIS A 96 3.467 -20.021 -3.462 1.00 0.00 H new ATOM 0 HA HIS A 96 3.834 -21.888 -2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 96 6.557 -20.789 -1.588 1.00 0.00 H new ATOM 0 HB3 HIS A 96 6.015 -22.430 -1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.789 -23.045 -4.351 1.00 0.00 H new ATOM 0 HE1 HIS A 96 8.726 -22.104 -5.619 1.00 0.00 H new ATOM 0 HE2 HIS A 96 6.540 -23.224 -6.272 1.00 0.00 H new ATOM 1490 N HIS A 97 4.643 -19.952 0.223 1.00 0.00 N ATOM 1491 CA HIS A 97 4.316 -19.538 1.603 1.00 0.00 C ATOM 1492 C HIS A 97 5.231 -18.366 2.014 1.00 0.00 C ATOM 1493 O HIS A 97 5.942 -17.818 1.160 1.00 0.00 O ATOM 1494 CB HIS A 97 4.433 -20.736 2.606 1.00 0.00 C ATOM 1495 CG HIS A 97 5.754 -21.474 2.595 1.00 0.00 C ATOM 1496 ND1 HIS A 97 5.941 -22.646 1.899 1.00 0.00 N ATOM 1497 CD2 HIS A 97 6.940 -21.217 3.203 1.00 0.00 C ATOM 1498 CE1 HIS A 97 7.172 -23.078 2.082 1.00 0.00 C ATOM 1499 NE2 HIS A 97 7.799 -22.231 2.869 1.00 0.00 N ATOM 0 H HIS A 97 5.469 -19.482 -0.147 1.00 0.00 H new ATOM 0 HA HIS A 97 3.278 -19.205 1.635 1.00 0.00 H new ATOM 0 HB2 HIS A 97 4.256 -20.361 3.614 1.00 0.00 H new ATOM 0 HB3 HIS A 97 3.638 -21.449 2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 97 7.165 -20.370 3.834 1.00 0.00 H new ATOM 0 HE1 HIS A 97 7.595 -23.976 1.657 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.767 -22.315 3.180 1.00 0.00 H new ATOM 1508 N HIS A 98 5.193 -17.964 3.310 1.00 0.00 N ATOM 1509 CA HIS A 98 6.182 -17.022 3.891 1.00 0.00 C ATOM 1510 C HIS A 98 7.573 -17.696 3.894 1.00 0.00 C ATOM 1511 O HIS A 98 7.977 -18.317 4.887 1.00 0.00 O ATOM 1512 CB HIS A 98 5.794 -16.595 5.339 1.00 0.00 C ATOM 1513 CG HIS A 98 4.531 -15.784 5.454 1.00 0.00 C ATOM 1514 ND1 HIS A 98 3.330 -16.297 5.892 1.00 0.00 N ATOM 1515 CD2 HIS A 98 4.306 -14.472 5.225 1.00 0.00 C ATOM 1516 CE1 HIS A 98 2.424 -15.346 5.906 1.00 0.00 C ATOM 1517 NE2 HIS A 98 2.990 -14.222 5.510 1.00 0.00 N ATOM 0 H HIS A 98 4.485 -18.279 3.974 1.00 0.00 H new ATOM 0 HA HIS A 98 6.199 -16.120 3.280 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.687 -17.492 5.948 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.616 -16.018 5.763 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.032 -13.751 4.880 1.00 0.00 H new ATOM 0 HE1 HIS A 98 1.390 -15.464 6.193 1.00 0.00 H new ATOM 0 HE2 HIS A 98 2.525 -13.318 5.430 1.00 0.00 H new ATOM 1526 N HIS A 99 8.268 -17.623 2.745 1.00 0.00 N ATOM 1527 CA HIS A 99 9.525 -18.355 2.505 1.00 0.00 C ATOM 1528 C HIS A 99 10.738 -17.489 2.908 1.00 0.00 C ATOM 1529 O HIS A 99 11.293 -16.724 2.108 1.00 0.00 O ATOM 1530 CB HIS A 99 9.599 -18.867 1.027 1.00 0.00 C ATOM 1531 CG HIS A 99 9.576 -17.800 -0.041 1.00 0.00 C ATOM 1532 ND1 HIS A 99 8.459 -17.054 -0.343 1.00 0.00 N ATOM 1533 CD2 HIS A 99 10.558 -17.333 -0.850 1.00 0.00 C ATOM 1534 CE1 HIS A 99 8.755 -16.183 -1.283 1.00 0.00 C ATOM 1535 NE2 HIS A 99 10.025 -16.334 -1.611 1.00 0.00 N ATOM 0 H HIS A 99 7.972 -17.052 1.953 1.00 0.00 H new ATOM 0 HA HIS A 99 9.549 -19.243 3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.512 -19.451 0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.763 -19.544 0.855 1.00 0.00 H new ATOM 0 HD1 HIS A 99 7.544 -17.160 0.094 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.578 -17.687 -0.886 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.073 -15.465 -1.714 1.00 0.00 H new ATOM 1544 N HIS A 100 11.090 -17.557 4.199 1.00 0.00 N ATOM 1545 CA HIS A 100 12.336 -16.977 4.715 1.00 0.00 C ATOM 1546 C HIS A 100 13.454 -17.994 4.406 1.00 0.00 C ATOM 1547 O HIS A 100 13.620 -18.958 5.155 1.00 0.00 O ATOM 1548 CB HIS A 100 12.218 -16.679 6.234 1.00 0.00 C ATOM 1549 CG HIS A 100 13.407 -15.957 6.808 1.00 0.00 C ATOM 1550 ND1 HIS A 100 14.502 -16.612 7.320 1.00 0.00 N ATOM 1551 CD2 HIS A 100 13.672 -14.632 6.935 1.00 0.00 C ATOM 1552 CE1 HIS A 100 15.386 -15.730 7.741 1.00 0.00 C ATOM 1553 NE2 HIS A 100 14.909 -14.522 7.515 1.00 0.00 N ATOM 0 H HIS A 100 10.521 -18.014 4.912 1.00 0.00 H new ATOM 0 HA HIS A 100 12.558 -16.020 4.242 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.323 -16.081 6.409 1.00 0.00 H new ATOM 0 HB3 HIS A 100 12.083 -17.619 6.769 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.029 -13.818 6.635 1.00 0.00 H new ATOM 0 HE1 HIS A 100 16.339 -15.958 8.194 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.384 -13.647 7.736 1.00 0.00 H new ATOM 1562 N HIS A 101 14.148 -17.776 3.260 1.00 0.00 N ATOM 1563 CA HIS A 101 15.043 -18.763 2.592 1.00 0.00 C ATOM 1564 C HIS A 101 14.188 -19.791 1.791 1.00 0.00 C ATOM 1565 O HIS A 101 13.454 -20.582 2.414 1.00 0.00 O ATOM 1566 CB HIS A 101 16.058 -19.458 3.558 1.00 0.00 C ATOM 1567 CG HIS A 101 16.771 -20.657 2.971 1.00 0.00 C ATOM 1568 ND1 HIS A 101 17.716 -20.560 1.971 1.00 0.00 N ATOM 1569 CD2 HIS A 101 16.626 -21.984 3.216 1.00 0.00 C ATOM 1570 CE1 HIS A 101 18.130 -21.769 1.645 1.00 0.00 C ATOM 1571 NE2 HIS A 101 17.483 -22.653 2.382 1.00 0.00 N ATOM 1572 OXT HIS A 101 14.269 -19.803 0.546 1.00 0.00 O ATOM 0 H HIS A 101 14.101 -16.888 2.760 1.00 0.00 H new ATOM 0 HA HIS A 101 15.673 -18.207 1.897 1.00 0.00 H new ATOM 0 HB2 HIS A 101 16.803 -18.725 3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 101 15.527 -19.772 4.456 1.00 0.00 H new ATOM 0 HD2 HIS A 101 15.957 -22.431 3.937 1.00 0.00 H new ATOM 0 HE1 HIS A 101 18.876 -21.998 0.898 1.00 0.00 H new ATOM 0 HE2 HIS A 101 17.601 -23.665 2.338 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 12.576 8.252 2.069 1.00 0.00 P HETATM 1583 O25 PNS A 102 11.462 8.144 1.105 1.00 0.00 O HETATM 1584 O26 PNS A 102 12.775 7.134 3.015 1.00 0.00 O HETATM 1585 O27 PNS A 102 13.959 8.593 1.307 1.00 0.00 O HETATM 1586 C28 PNS A 102 15.200 8.717 2.017 1.00 0.00 C HETATM 1587 C29 PNS A 102 16.355 9.221 1.075 1.00 0.00 C HETATM 1588 C30 PNS A 102 16.162 10.737 0.773 1.00 0.00 C HETATM 1589 C31 PNS A 102 16.282 8.438 -0.265 1.00 0.00 C HETATM 1590 C32 PNS A 102 17.755 9.008 1.795 1.00 0.00 C HETATM 1591 O33 PNS A 102 17.882 7.632 2.192 1.00 0.00 O HETATM 1592 C34 PNS A 102 18.951 9.392 0.886 1.00 0.00 C HETATM 1593 O35 PNS A 102 19.554 10.465 1.037 1.00 0.00 O HETATM 1594 N36 PNS A 102 19.259 8.492 -0.062 1.00 0.00 N HETATM 1595 C37 PNS A 102 20.338 8.648 -1.042 1.00 0.00 C HETATM 1596 C38 PNS A 102 21.759 8.497 -0.432 1.00 0.00 C HETATM 1597 C39 PNS A 102 22.687 7.684 -1.333 1.00 0.00 C HETATM 1598 O40 PNS A 102 23.673 8.192 -1.879 1.00 0.00 O HETATM 1599 N41 PNS A 102 22.330 6.399 -1.482 1.00 0.00 N HETATM 1600 C42 PNS A 102 23.084 5.438 -2.305 1.00 0.00 C HETATM 1601 C43 PNS A 102 22.674 4.004 -1.988 1.00 0.00 C HETATM 1602 S44 PNS A 102 20.886 3.791 -1.944 1.00 0.00 S HETATM 0 H432 PNS A 102 23.098 3.335 -2.736 1.00 0.00 H new HETATM 0 H431 PNS A 102 23.095 3.714 -1.025 1.00 0.00 H new HETATM 0 H422 PNS A 102 24.152 5.562 -2.127 1.00 0.00 H new HETATM 0 H421 PNS A 102 22.910 5.644 -3.361 1.00 0.00 H new HETATM 0 H382 PNS A 102 21.685 8.014 0.542 1.00 0.00 H new HETATM 0 H381 PNS A 102 22.189 9.485 -0.266 1.00 0.00 H new HETATM 0 H372 PNS A 102 20.254 9.629 -1.509 1.00 0.00 H new HETATM 0 H371 PNS A 102 20.210 7.908 -1.832 1.00 0.00 H new HETATM 0 H313 PNS A 102 17.077 8.777 -0.928 1.00 0.00 H new HETATM 0 H312 PNS A 102 15.316 8.614 -0.737 1.00 0.00 H new HETATM 0 H311 PNS A 102 16.402 7.372 -0.071 1.00 0.00 H new HETATM 0 H303 PNS A 102 16.964 11.083 0.120 1.00 0.00 H new HETATM 0 H302 PNS A 102 16.186 11.300 1.706 1.00 0.00 H new HETATM 0 H301 PNS A 102 15.202 10.891 0.281 1.00 0.00 H new HETATM 0 H282 PNS A 102 15.473 7.753 2.446 1.00 0.00 H new HETATM 0 H281 PNS A 102 15.077 9.412 2.848 1.00 0.00 H new HETATM 0 H44 PNS A 102 20.525 3.395 -0.760 1.00 0.00 H new HETATM 0 H41 PNS A 102 21.493 6.071 -1.000 1.00 0.00 H new HETATM 0 H36 PNS A 102 18.702 7.638 -0.103 1.00 0.00 H new HETATM 0 H33 PNS A 102 18.746 7.498 2.635 1.00 0.00 H new HETATM 0 H32 PNS A 102 17.780 9.664 2.665 1.00 0.00 H new