USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -4.61! C(o=-4.6!,f=-5.4!) USER MOD Single : A 39 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.27) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 15:sc= 0.67 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot -120:sc= -0.684 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -118:sc= 0.108 (180deg=-0.398) USER MOD Single : A 102 MET CE :methyl 143:sc= -1.01 (180deg=-4.13!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 29 -7.066 15.272 -1.639 1.00 0.00 N ATOM 2 CA LYS A 29 -7.069 16.504 -2.477 1.00 0.00 C ATOM 3 C LYS A 29 -6.270 17.602 -1.772 1.00 0.00 C ATOM 4 O LYS A 29 -5.556 18.361 -2.396 1.00 0.00 O ATOM 5 CB LYS A 29 -8.510 16.975 -2.686 1.00 0.00 C ATOM 6 CG LYS A 29 -9.356 15.814 -3.211 1.00 0.00 C ATOM 7 CD LYS A 29 -10.747 16.326 -3.590 1.00 0.00 C ATOM 8 CE LYS A 29 -11.803 15.315 -3.139 1.00 0.00 C ATOM 9 NZ LYS A 29 -13.137 15.979 -3.087 1.00 0.00 N ATOM 0 HA LYS A 29 -6.614 16.288 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.923 17.344 -1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.534 17.805 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.874 15.362 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.438 15.037 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.930 17.293 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.809 16.477 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.832 14.471 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.545 14.917 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.855 15.292 -2.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.105 16.770 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.383 16.339 -4.031 1.00 0.00 H new ATOM 22 N GLY A 30 -6.385 17.692 -0.475 1.00 0.00 N ATOM 23 CA GLY A 30 -5.632 18.742 0.268 1.00 0.00 C ATOM 24 C GLY A 30 -4.337 18.146 0.824 1.00 0.00 C ATOM 25 O GLY A 30 -3.251 18.557 0.469 1.00 0.00 O ATOM 0 H GLY A 30 -6.967 17.085 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.405 19.578 -0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.242 19.135 1.081 1.00 0.00 H new ATOM 29 N ASP A 31 -4.444 17.178 1.693 1.00 0.00 N ATOM 30 CA ASP A 31 -3.219 16.557 2.270 1.00 0.00 C ATOM 31 C ASP A 31 -3.348 15.033 2.220 1.00 0.00 C ATOM 32 O ASP A 31 -3.783 14.406 3.165 1.00 0.00 O ATOM 33 CB ASP A 31 -3.055 17.007 3.724 1.00 0.00 C ATOM 34 CG ASP A 31 -1.589 16.874 4.138 1.00 0.00 C ATOM 35 OD1 ASP A 31 -0.800 16.433 3.318 1.00 0.00 O ATOM 36 OD2 ASP A 31 -1.279 17.215 5.268 1.00 0.00 O ATOM 0 H ASP A 31 -5.326 16.791 2.028 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.348 16.868 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.383 18.041 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.684 16.401 4.376 1.00 0.00 H new ATOM 41 N GLY A 32 -2.973 14.433 1.124 1.00 0.00 N ATOM 42 CA GLY A 32 -3.075 12.950 1.015 1.00 0.00 C ATOM 43 C GLY A 32 -1.826 12.401 0.323 1.00 0.00 C ATOM 44 O GLY A 32 -1.493 12.789 -0.779 1.00 0.00 O ATOM 0 H GLY A 32 -2.601 14.905 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.178 12.508 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.966 12.677 0.450 1.00 0.00 H new ATOM 48 N VAL A 33 -1.131 11.499 0.962 1.00 0.00 N ATOM 49 CA VAL A 33 0.096 10.926 0.340 1.00 0.00 C ATOM 50 C VAL A 33 0.251 9.466 0.770 1.00 0.00 C ATOM 51 O VAL A 33 0.638 9.175 1.885 1.00 0.00 O ATOM 52 CB VAL A 33 1.319 11.724 0.795 1.00 0.00 C ATOM 53 CG1 VAL A 33 2.592 11.036 0.298 1.00 0.00 C ATOM 54 CG2 VAL A 33 1.247 13.139 0.216 1.00 0.00 C ATOM 0 H VAL A 33 -1.360 11.135 1.887 1.00 0.00 H new ATOM 0 HA VAL A 33 0.012 10.978 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 33 1.335 11.775 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.463 11.605 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.644 10.027 0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.577 10.985 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.118 13.709 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.231 13.086 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.340 13.631 0.568 1.00 0.00 H new ATOM 64 N VAL A 34 -0.047 8.545 -0.105 1.00 0.00 N ATOM 65 CA VAL A 34 0.083 7.105 0.255 1.00 0.00 C ATOM 66 C VAL A 34 1.467 6.600 -0.158 1.00 0.00 C ATOM 67 O VAL A 34 2.062 7.088 -1.097 1.00 0.00 O ATOM 68 CB VAL A 34 -0.993 6.298 -0.473 1.00 0.00 C ATOM 69 CG1 VAL A 34 -0.993 4.860 0.048 1.00 0.00 C ATOM 70 CG2 VAL A 34 -2.363 6.931 -0.219 1.00 0.00 C ATOM 0 H VAL A 34 -0.375 8.728 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.041 6.986 1.331 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.784 6.297 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.760 4.285 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.017 4.408 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.202 4.861 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.131 6.357 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.571 6.932 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.364 7.956 -0.590 1.00 0.00 H new ATOM 80 N ARG A 35 1.984 5.624 0.538 1.00 0.00 N ATOM 81 CA ARG A 35 3.329 5.088 0.184 1.00 0.00 C ATOM 82 C ARG A 35 3.219 3.592 -0.118 1.00 0.00 C ATOM 83 O ARG A 35 2.949 2.791 0.755 1.00 0.00 O ATOM 84 CB ARG A 35 4.288 5.303 1.358 1.00 0.00 C ATOM 85 CG ARG A 35 5.636 5.800 0.832 1.00 0.00 C ATOM 86 CD ARG A 35 6.330 6.631 1.912 1.00 0.00 C ATOM 87 NE ARG A 35 7.407 7.453 1.290 1.00 0.00 N ATOM 88 CZ ARG A 35 8.447 7.807 1.995 1.00 0.00 C ATOM 89 NH1 ARG A 35 9.058 6.929 2.742 1.00 0.00 N ATOM 90 NH2 ARG A 35 8.876 9.038 1.952 1.00 0.00 N ATOM 0 H ARG A 35 1.534 5.175 1.336 1.00 0.00 H new ATOM 0 HA ARG A 35 3.708 5.609 -0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.869 6.028 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.421 4.371 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.263 4.954 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.489 6.401 -0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.607 7.277 2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.752 5.977 2.675 1.00 0.00 H new ATOM 0 HE ARG A 35 7.331 7.739 0.314 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.723 5.966 2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.871 7.205 3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.399 9.724 1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.689 9.314 2.503 1.00 0.00 H new ATOM 104 N ILE A 36 3.426 3.209 -1.348 1.00 0.00 N ATOM 105 CA ILE A 36 3.332 1.765 -1.704 1.00 0.00 C ATOM 106 C ILE A 36 4.647 1.312 -2.342 1.00 0.00 C ATOM 107 O ILE A 36 5.015 1.754 -3.412 1.00 0.00 O ATOM 108 CB ILE A 36 2.186 1.558 -2.696 1.00 0.00 C ATOM 109 CG1 ILE A 36 0.968 2.366 -2.242 1.00 0.00 C ATOM 110 CG2 ILE A 36 1.820 0.074 -2.750 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.867 3.647 -3.073 1.00 0.00 C ATOM 0 H ILE A 36 3.656 3.833 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 36 3.143 1.180 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 36 2.497 1.892 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.061 1.773 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.055 2.612 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.003 -0.074 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.687 -0.503 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.508 -0.260 -1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.000 4.223 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.770 4.242 -2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.760 3.390 -4.127 1.00 0.00 H new ATOM 123 N GLN A 37 5.359 0.431 -1.693 1.00 0.00 N ATOM 124 CA GLN A 37 6.649 -0.050 -2.263 1.00 0.00 C ATOM 125 C GLN A 37 6.911 -1.482 -1.793 1.00 0.00 C ATOM 126 O GLN A 37 6.017 -2.173 -1.346 1.00 0.00 O ATOM 127 CB GLN A 37 7.786 0.858 -1.789 1.00 0.00 C ATOM 128 CG GLN A 37 7.872 0.816 -0.262 1.00 0.00 C ATOM 129 CD GLN A 37 9.189 1.447 0.193 1.00 0.00 C ATOM 130 OE1 GLN A 37 9.191 2.397 0.951 1.00 0.00 O ATOM 131 NE2 GLN A 37 10.318 0.956 -0.241 1.00 0.00 N ATOM 0 H GLN A 37 5.103 0.024 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 37 6.596 -0.028 -3.352 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.730 0.534 -2.226 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.613 1.880 -2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.030 1.352 0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.810 -0.214 0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.316 0.159 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.202 1.370 0.056 1.00 0.00 H new ATOM 140 N ARG A 38 8.132 -1.934 -1.890 1.00 0.00 N ATOM 141 CA ARG A 38 8.450 -3.322 -1.449 1.00 0.00 C ATOM 142 C ARG A 38 9.563 -3.281 -0.401 1.00 0.00 C ATOM 143 O ARG A 38 10.511 -2.530 -0.517 1.00 0.00 O ATOM 144 CB ARG A 38 8.912 -4.146 -2.652 1.00 0.00 C ATOM 145 CG ARG A 38 7.693 -4.655 -3.423 1.00 0.00 C ATOM 146 CD ARG A 38 8.151 -5.333 -4.715 1.00 0.00 C ATOM 147 NE ARG A 38 9.222 -4.516 -5.352 1.00 0.00 N ATOM 148 CZ ARG A 38 10.150 -5.096 -6.062 1.00 0.00 C ATOM 149 NH1 ARG A 38 10.765 -6.149 -5.597 1.00 0.00 N ATOM 150 NH2 ARG A 38 10.464 -4.624 -7.237 1.00 0.00 N ATOM 0 H ARG A 38 8.922 -1.403 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 38 7.560 -3.779 -1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.539 -3.537 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.521 -4.986 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.130 -5.359 -2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.023 -3.826 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.522 -6.335 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.309 -5.444 -5.398 1.00 0.00 H new ATOM 0 HE ARG A 38 9.230 -3.503 -5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.520 -6.519 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.491 -6.602 -6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.984 -3.801 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.190 -5.078 -7.792 1.00 0.00 H new ATOM 164 N GLN A 39 9.456 -4.083 0.623 1.00 0.00 N ATOM 165 CA GLN A 39 10.509 -4.089 1.678 1.00 0.00 C ATOM 166 C GLN A 39 11.197 -5.455 1.704 1.00 0.00 C ATOM 167 O GLN A 39 11.180 -6.150 2.700 1.00 0.00 O ATOM 168 CB GLN A 39 9.868 -3.814 3.040 1.00 0.00 C ATOM 169 CG GLN A 39 10.948 -3.391 4.037 1.00 0.00 C ATOM 170 CD GLN A 39 10.540 -3.821 5.447 1.00 0.00 C ATOM 171 OE1 GLN A 39 10.260 -4.980 5.684 1.00 0.00 O ATOM 172 NE2 GLN A 39 10.493 -2.931 6.400 1.00 0.00 N ATOM 0 H GLN A 39 8.686 -4.734 0.775 1.00 0.00 H new ATOM 0 HA GLN A 39 11.246 -3.316 1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.116 -3.030 2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.356 -4.707 3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.902 -3.845 3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.087 -2.311 4.001 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.728 -1.958 6.202 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.221 -3.208 7.343 1.00 0.00 H new ATOM 181 N THR A 40 11.801 -5.846 0.616 1.00 0.00 N ATOM 182 CA THR A 40 12.489 -7.168 0.579 1.00 0.00 C ATOM 183 C THR A 40 13.588 -7.200 1.643 1.00 0.00 C ATOM 184 O THR A 40 14.261 -6.217 1.885 1.00 0.00 O ATOM 185 CB THR A 40 13.111 -7.381 -0.803 1.00 0.00 C ATOM 186 OG1 THR A 40 13.659 -6.156 -1.268 1.00 0.00 O ATOM 187 CG2 THR A 40 12.037 -7.866 -1.778 1.00 0.00 C ATOM 0 H THR A 40 11.848 -5.308 -0.249 1.00 0.00 H new ATOM 0 HA THR A 40 11.767 -7.960 0.778 1.00 0.00 H new ATOM 0 HB THR A 40 13.901 -8.129 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 40 14.059 -6.291 -2.152 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.481 -8.017 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.619 -8.807 -1.420 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.245 -7.120 -1.848 1.00 0.00 H new ATOM 195 N SER A 41 13.776 -8.323 2.281 1.00 0.00 N ATOM 196 CA SER A 41 14.832 -8.417 3.329 1.00 0.00 C ATOM 197 C SER A 41 15.921 -9.389 2.870 1.00 0.00 C ATOM 198 O SER A 41 17.008 -8.990 2.502 1.00 0.00 O ATOM 199 CB SER A 41 14.213 -8.923 4.632 1.00 0.00 C ATOM 200 OG SER A 41 13.475 -7.871 5.241 1.00 0.00 O ATOM 0 H SER A 41 13.244 -9.179 2.122 1.00 0.00 H new ATOM 0 HA SER A 41 15.270 -7.432 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.560 -9.772 4.432 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.994 -9.273 5.307 1.00 0.00 H new ATOM 0 HG SER A 41 13.075 -8.193 6.076 1.00 0.00 H new ATOM 206 N GLY A 42 15.638 -10.663 2.888 1.00 0.00 N ATOM 207 CA GLY A 42 16.657 -11.659 2.453 1.00 0.00 C ATOM 208 C GLY A 42 16.456 -12.966 3.222 1.00 0.00 C ATOM 209 O GLY A 42 17.196 -13.281 4.133 1.00 0.00 O ATOM 0 H GLY A 42 14.745 -11.057 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.571 -11.839 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.660 -11.271 2.631 1.00 0.00 H new ATOM 213 N ARG A 43 15.461 -13.729 2.862 1.00 0.00 N ATOM 214 CA ARG A 43 15.214 -15.015 3.573 1.00 0.00 C ATOM 215 C ARG A 43 13.990 -15.706 2.968 1.00 0.00 C ATOM 216 O ARG A 43 14.066 -16.822 2.494 1.00 0.00 O ATOM 217 CB ARG A 43 14.962 -14.738 5.056 1.00 0.00 C ATOM 218 CG ARG A 43 15.995 -15.489 5.899 1.00 0.00 C ATOM 219 CD ARG A 43 15.722 -15.239 7.384 1.00 0.00 C ATOM 220 NE ARG A 43 16.759 -15.928 8.202 1.00 0.00 N ATOM 221 CZ ARG A 43 16.742 -15.820 9.502 1.00 0.00 C ATOM 222 NH1 ARG A 43 16.066 -14.858 10.069 1.00 0.00 N ATOM 223 NH2 ARG A 43 17.401 -16.675 10.237 1.00 0.00 N ATOM 0 H ARG A 43 14.809 -13.518 2.107 1.00 0.00 H new ATOM 0 HA ARG A 43 16.085 -15.661 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 43 15.025 -13.668 5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.955 -15.053 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.948 -16.557 5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 43 17.001 -15.156 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.732 -14.169 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.731 -15.606 7.649 1.00 0.00 H new ATOM 0 HE ARG A 43 17.482 -16.484 7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.551 -14.190 9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.053 -14.774 11.085 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.929 -17.427 9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.388 -16.590 11.253 1.00 0.00 H new ATOM 237 N LYS A 44 12.862 -15.050 2.980 1.00 0.00 N ATOM 238 CA LYS A 44 11.634 -15.670 2.405 1.00 0.00 C ATOM 239 C LYS A 44 11.862 -15.972 0.923 1.00 0.00 C ATOM 240 O LYS A 44 11.734 -17.097 0.482 1.00 0.00 O ATOM 241 CB LYS A 44 10.457 -14.703 2.554 1.00 0.00 C ATOM 242 CG LYS A 44 9.922 -14.767 3.986 1.00 0.00 C ATOM 243 CD LYS A 44 8.762 -13.781 4.142 1.00 0.00 C ATOM 244 CE LYS A 44 8.185 -13.890 5.555 1.00 0.00 C ATOM 245 NZ LYS A 44 7.119 -12.864 5.736 1.00 0.00 N ATOM 0 H LYS A 44 12.737 -14.113 3.363 1.00 0.00 H new ATOM 0 HA LYS A 44 11.412 -16.597 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.775 -13.687 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.668 -14.962 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.587 -15.778 4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.716 -14.526 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.108 -12.764 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.988 -13.994 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.776 -14.887 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.973 -13.745 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.726 -12.937 6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.523 -11.916 5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.363 -13.022 5.040 1.00 0.00 H new ATOM 259 N GLY A 45 12.197 -14.976 0.149 1.00 0.00 N ATOM 260 CA GLY A 45 12.432 -15.207 -1.304 1.00 0.00 C ATOM 261 C GLY A 45 11.454 -14.361 -2.122 1.00 0.00 C ATOM 262 O GLY A 45 11.847 -13.594 -2.978 1.00 0.00 O ATOM 0 H GLY A 45 12.318 -14.012 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.458 -14.947 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.301 -16.263 -1.541 1.00 0.00 H new ATOM 266 N LYS A 46 10.182 -14.495 -1.865 1.00 0.00 N ATOM 267 CA LYS A 46 9.180 -13.698 -2.627 1.00 0.00 C ATOM 268 C LYS A 46 9.296 -12.224 -2.238 1.00 0.00 C ATOM 269 O LYS A 46 10.176 -11.835 -1.496 1.00 0.00 O ATOM 270 CB LYS A 46 7.772 -14.202 -2.299 1.00 0.00 C ATOM 271 CG LYS A 46 7.167 -14.871 -3.535 1.00 0.00 C ATOM 272 CD LYS A 46 5.739 -15.321 -3.223 1.00 0.00 C ATOM 273 CE LYS A 46 5.081 -15.853 -4.497 1.00 0.00 C ATOM 274 NZ LYS A 46 3.639 -16.127 -4.235 1.00 0.00 N ATOM 0 H LYS A 46 9.793 -15.122 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 46 9.367 -13.807 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.812 -14.911 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.143 -13.372 -1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.165 -14.175 -4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.773 -15.727 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.750 -16.096 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.162 -14.486 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.183 -15.126 -5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.582 -16.764 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.191 -16.489 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.552 -16.835 -3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.166 -15.248 -3.942 1.00 0.00 H new ATOM 288 N GLY A 47 8.414 -11.399 -2.731 1.00 0.00 N ATOM 289 CA GLY A 47 8.473 -9.950 -2.388 1.00 0.00 C ATOM 290 C GLY A 47 7.306 -9.595 -1.465 1.00 0.00 C ATOM 291 O GLY A 47 6.245 -10.183 -1.538 1.00 0.00 O ATOM 0 H GLY A 47 7.654 -11.666 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.420 -9.720 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.428 -9.349 -3.296 1.00 0.00 H new ATOM 295 N VAL A 48 7.493 -8.639 -0.597 1.00 0.00 N ATOM 296 CA VAL A 48 6.392 -8.250 0.329 1.00 0.00 C ATOM 297 C VAL A 48 6.028 -6.782 0.100 1.00 0.00 C ATOM 298 O VAL A 48 6.872 -5.963 -0.203 1.00 0.00 O ATOM 299 CB VAL A 48 6.851 -8.442 1.776 1.00 0.00 C ATOM 300 CG1 VAL A 48 6.851 -9.933 2.118 1.00 0.00 C ATOM 301 CG2 VAL A 48 8.267 -7.883 1.939 1.00 0.00 C ATOM 0 H VAL A 48 8.359 -8.111 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 48 5.519 -8.875 0.139 1.00 0.00 H new ATOM 0 HB VAL A 48 6.171 -7.915 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.178 -10.070 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.844 -10.333 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.531 -10.460 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.595 -8.019 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.946 -8.411 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.269 -6.821 1.695 1.00 0.00 H new ATOM 311 N CYS A 49 4.776 -6.443 0.244 1.00 0.00 N ATOM 312 CA CYS A 49 4.358 -5.029 0.034 1.00 0.00 C ATOM 313 C CYS A 49 3.935 -4.419 1.372 1.00 0.00 C ATOM 314 O CYS A 49 3.289 -5.057 2.180 1.00 0.00 O ATOM 315 CB CYS A 49 3.181 -4.984 -0.942 1.00 0.00 C ATOM 316 SG CYS A 49 3.192 -3.405 -1.827 1.00 0.00 S ATOM 0 H CYS A 49 4.025 -7.085 0.498 1.00 0.00 H new ATOM 0 HA CYS A 49 5.192 -4.461 -0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.250 -5.810 -1.650 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.242 -5.104 -0.402 1.00 0.00 H new ATOM 0 HG CYS A 49 4.346 -2.827 -1.670 1.00 0.00 H new ATOM 322 N LEU A 50 4.294 -3.188 1.613 1.00 0.00 N ATOM 323 CA LEU A 50 3.912 -2.539 2.898 1.00 0.00 C ATOM 324 C LEU A 50 3.285 -1.173 2.614 1.00 0.00 C ATOM 325 O LEU A 50 3.906 -0.301 2.039 1.00 0.00 O ATOM 326 CB LEU A 50 5.158 -2.355 3.767 1.00 0.00 C ATOM 327 CG LEU A 50 5.638 -3.719 4.267 1.00 0.00 C ATOM 328 CD1 LEU A 50 6.899 -4.128 3.503 1.00 0.00 C ATOM 329 CD2 LEU A 50 5.954 -3.630 5.761 1.00 0.00 C ATOM 0 H LEU A 50 4.835 -2.604 0.976 1.00 0.00 H new ATOM 0 HA LEU A 50 3.192 -3.168 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.946 -1.868 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.932 -1.705 4.612 1.00 0.00 H new ATOM 0 HG LEU A 50 4.857 -4.462 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.241 -5.100 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.675 -4.190 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.680 -3.386 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.296 -4.601 6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.735 -2.887 5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.056 -3.338 6.306 1.00 0.00 H new ATOM 341 N ILE A 51 2.058 -0.978 3.015 1.00 0.00 N ATOM 342 CA ILE A 51 1.394 0.333 2.768 1.00 0.00 C ATOM 343 C ILE A 51 1.418 1.164 4.052 1.00 0.00 C ATOM 344 O ILE A 51 0.960 0.732 5.092 1.00 0.00 O ATOM 345 CB ILE A 51 -0.055 0.099 2.338 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.138 -1.183 1.506 1.00 0.00 C ATOM 347 CG2 ILE A 51 -0.536 1.283 1.498 1.00 0.00 C ATOM 348 CD1 ILE A 51 0.913 -1.140 0.396 1.00 0.00 C ATOM 0 H ILE A 51 1.488 -1.669 3.502 1.00 0.00 H new ATOM 0 HA ILE A 51 1.924 0.867 1.979 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.685 0.001 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.025 -2.053 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.134 -1.285 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.569 1.116 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.476 2.197 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.093 1.381 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.854 -2.053 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.729 -0.278 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.906 -1.058 0.838 1.00 0.00 H new ATOM 360 N THR A 52 1.948 2.354 3.990 1.00 0.00 N ATOM 361 CA THR A 52 2.001 3.211 5.207 1.00 0.00 C ATOM 362 C THR A 52 2.178 4.674 4.794 1.00 0.00 C ATOM 363 O THR A 52 2.615 4.972 3.701 1.00 0.00 O ATOM 364 CB THR A 52 3.182 2.782 6.082 1.00 0.00 C ATOM 365 OG1 THR A 52 3.492 3.822 6.999 1.00 0.00 O ATOM 366 CG2 THR A 52 4.397 2.498 5.198 1.00 0.00 C ATOM 0 H THR A 52 2.347 2.770 3.149 1.00 0.00 H new ATOM 0 HA THR A 52 1.073 3.102 5.769 1.00 0.00 H new ATOM 0 HB THR A 52 2.918 1.879 6.633 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.247 3.548 7.561 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.237 2.193 5.822 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.157 1.700 4.496 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.664 3.399 4.646 1.00 0.00 H new ATOM 374 N GLY A 53 1.842 5.589 5.661 1.00 0.00 N ATOM 375 CA GLY A 53 1.991 7.032 5.317 1.00 0.00 C ATOM 376 C GLY A 53 0.614 7.637 5.040 1.00 0.00 C ATOM 377 O GLY A 53 0.389 8.813 5.249 1.00 0.00 O ATOM 0 H GLY A 53 1.471 5.401 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.475 7.564 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.631 7.144 4.442 1.00 0.00 H new ATOM 381 N VAL A 54 -0.310 6.845 4.570 1.00 0.00 N ATOM 382 CA VAL A 54 -1.671 7.377 4.280 1.00 0.00 C ATOM 383 C VAL A 54 -2.133 8.255 5.445 1.00 0.00 C ATOM 384 O VAL A 54 -2.279 7.796 6.560 1.00 0.00 O ATOM 385 CB VAL A 54 -2.648 6.214 4.099 1.00 0.00 C ATOM 386 CG1 VAL A 54 -4.045 6.761 3.801 1.00 0.00 C ATOM 387 CG2 VAL A 54 -2.185 5.337 2.933 1.00 0.00 C ATOM 0 H VAL A 54 -0.181 5.852 4.374 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.641 7.970 3.366 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.678 5.620 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.741 5.932 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.375 7.386 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.016 7.355 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.880 4.508 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.155 5.932 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.190 4.946 3.145 1.00 0.00 H new ATOM 397 N ASP A 55 -2.363 9.515 5.196 1.00 0.00 N ATOM 398 CA ASP A 55 -2.815 10.420 6.290 1.00 0.00 C ATOM 399 C ASP A 55 -4.259 10.853 6.031 1.00 0.00 C ATOM 400 O ASP A 55 -4.525 11.985 5.679 1.00 0.00 O ATOM 401 CB ASP A 55 -1.913 11.656 6.334 1.00 0.00 C ATOM 402 CG ASP A 55 -0.650 11.338 7.137 1.00 0.00 C ATOM 403 OD1 ASP A 55 -0.367 10.165 7.319 1.00 0.00 O ATOM 404 OD2 ASP A 55 0.013 12.273 7.555 1.00 0.00 O ATOM 0 H ASP A 55 -2.257 9.957 4.283 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.759 9.894 7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.646 11.961 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.445 12.492 6.789 1.00 0.00 H new ATOM 409 N LEU A 56 -5.196 9.960 6.203 1.00 0.00 N ATOM 410 CA LEU A 56 -6.622 10.322 5.968 1.00 0.00 C ATOM 411 C LEU A 56 -7.446 9.979 7.210 1.00 0.00 C ATOM 412 O LEU A 56 -6.911 9.653 8.251 1.00 0.00 O ATOM 413 CB LEU A 56 -7.156 9.538 4.767 1.00 0.00 C ATOM 414 CG LEU A 56 -6.681 10.201 3.473 1.00 0.00 C ATOM 415 CD1 LEU A 56 -6.316 9.124 2.450 1.00 0.00 C ATOM 416 CD2 LEU A 56 -7.801 11.078 2.910 1.00 0.00 C ATOM 0 H LEU A 56 -5.035 8.996 6.496 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.698 11.390 5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.807 8.506 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.245 9.508 4.794 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.805 10.816 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.978 9.597 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.519 8.498 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.191 8.509 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.464 11.551 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.676 10.462 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.062 11.846 3.638 1.00 0.00 H new ATOM 428 N ASP A 57 -8.745 10.050 7.110 1.00 0.00 N ATOM 429 CA ASP A 57 -9.601 9.728 8.287 1.00 0.00 C ATOM 430 C ASP A 57 -9.271 8.320 8.788 1.00 0.00 C ATOM 431 O ASP A 57 -8.916 7.446 8.023 1.00 0.00 O ATOM 432 CB ASP A 57 -11.074 9.792 7.880 1.00 0.00 C ATOM 433 CG ASP A 57 -11.621 11.192 8.162 1.00 0.00 C ATOM 434 OD1 ASP A 57 -10.832 12.123 8.180 1.00 0.00 O ATOM 435 OD2 ASP A 57 -12.820 11.311 8.356 1.00 0.00 O ATOM 0 H ASP A 57 -9.250 10.317 6.265 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.412 10.450 9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.180 9.555 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.648 9.048 8.433 1.00 0.00 H new ATOM 440 N ASP A 58 -9.383 8.095 10.069 1.00 0.00 N ATOM 441 CA ASP A 58 -9.076 6.745 10.618 1.00 0.00 C ATOM 442 C ASP A 58 -10.020 5.714 9.997 1.00 0.00 C ATOM 443 O ASP A 58 -9.655 4.575 9.779 1.00 0.00 O ATOM 444 CB ASP A 58 -9.261 6.757 12.137 1.00 0.00 C ATOM 445 CG ASP A 58 -7.933 6.422 12.817 1.00 0.00 C ATOM 446 OD1 ASP A 58 -6.906 6.835 12.303 1.00 0.00 O ATOM 447 OD2 ASP A 58 -7.964 5.758 13.840 1.00 0.00 O ATOM 0 H ASP A 58 -9.674 8.788 10.758 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.045 6.483 10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.612 7.736 12.463 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.023 6.033 12.427 1.00 0.00 H new ATOM 452 N ALA A 59 -11.232 6.103 9.709 1.00 0.00 N ATOM 453 CA ALA A 59 -12.198 5.144 9.102 1.00 0.00 C ATOM 454 C ALA A 59 -11.877 4.972 7.616 1.00 0.00 C ATOM 455 O ALA A 59 -12.124 3.935 7.034 1.00 0.00 O ATOM 456 CB ALA A 59 -13.620 5.686 9.257 1.00 0.00 C ATOM 0 H ALA A 59 -11.595 7.043 9.868 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.120 4.180 9.606 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -14.327 4.985 8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -13.849 5.811 10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -13.699 6.649 8.753 1.00 0.00 H new ATOM 462 N GLU A 60 -11.326 5.981 6.999 1.00 0.00 N ATOM 463 CA GLU A 60 -10.989 5.876 5.551 1.00 0.00 C ATOM 464 C GLU A 60 -9.833 4.890 5.367 1.00 0.00 C ATOM 465 O GLU A 60 -9.726 4.226 4.355 1.00 0.00 O ATOM 466 CB GLU A 60 -10.574 7.252 5.024 1.00 0.00 C ATOM 467 CG GLU A 60 -10.881 7.339 3.528 1.00 0.00 C ATOM 468 CD GLU A 60 -11.107 8.801 3.138 1.00 0.00 C ATOM 469 OE1 GLU A 60 -11.279 9.613 4.032 1.00 0.00 O ATOM 470 OE2 GLU A 60 -11.104 9.085 1.951 1.00 0.00 O ATOM 0 H GLU A 60 -11.095 6.874 7.435 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.860 5.522 4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.108 8.035 5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.510 7.414 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.056 6.921 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.766 6.748 3.292 1.00 0.00 H new ATOM 477 N LEU A 61 -8.966 4.790 6.338 1.00 0.00 N ATOM 478 CA LEU A 61 -7.819 3.847 6.218 1.00 0.00 C ATOM 479 C LEU A 61 -8.340 2.409 6.201 1.00 0.00 C ATOM 480 O LEU A 61 -8.108 1.666 5.268 1.00 0.00 O ATOM 481 CB LEU A 61 -6.877 4.037 7.409 1.00 0.00 C ATOM 482 CG LEU A 61 -5.948 5.222 7.141 1.00 0.00 C ATOM 483 CD1 LEU A 61 -5.763 6.028 8.427 1.00 0.00 C ATOM 484 CD2 LEU A 61 -4.588 4.706 6.665 1.00 0.00 C ATOM 0 H LEU A 61 -9.003 5.320 7.208 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.279 4.047 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.453 4.211 8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.292 3.132 7.571 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.386 5.859 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.101 6.872 8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.731 6.396 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.325 5.391 9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.925 5.550 6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.151 4.069 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.718 4.131 5.748 1.00 0.00 H new ATOM 496 N THR A 62 -9.043 2.009 7.225 1.00 0.00 N ATOM 497 CA THR A 62 -9.578 0.619 7.264 1.00 0.00 C ATOM 498 C THR A 62 -10.460 0.380 6.037 1.00 0.00 C ATOM 499 O THR A 62 -10.723 -0.744 5.659 1.00 0.00 O ATOM 500 CB THR A 62 -10.412 0.428 8.534 1.00 0.00 C ATOM 501 OG1 THR A 62 -10.987 1.671 8.912 1.00 0.00 O ATOM 502 CG2 THR A 62 -9.518 -0.087 9.663 1.00 0.00 C ATOM 0 H THR A 62 -9.270 2.585 8.036 1.00 0.00 H new ATOM 0 HA THR A 62 -8.750 -0.090 7.263 1.00 0.00 H new ATOM 0 HB THR A 62 -11.204 -0.296 8.343 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.522 1.550 9.724 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.114 -0.222 10.566 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.078 -1.041 9.372 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.724 0.635 9.857 1.00 0.00 H new ATOM 510 N LYS A 63 -10.919 1.430 5.413 1.00 0.00 N ATOM 511 CA LYS A 63 -11.784 1.263 4.212 1.00 0.00 C ATOM 512 C LYS A 63 -10.920 0.885 3.007 1.00 0.00 C ATOM 513 O LYS A 63 -11.258 0.003 2.242 1.00 0.00 O ATOM 514 CB LYS A 63 -12.514 2.577 3.924 1.00 0.00 C ATOM 515 CG LYS A 63 -14.022 2.363 4.064 1.00 0.00 C ATOM 516 CD LYS A 63 -14.767 3.528 3.410 1.00 0.00 C ATOM 517 CE LYS A 63 -16.275 3.301 3.532 1.00 0.00 C ATOM 518 NZ LYS A 63 -16.982 4.086 2.480 1.00 0.00 N ATOM 0 H LYS A 63 -10.732 2.396 5.683 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.513 0.474 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.180 3.350 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.277 2.924 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.312 1.423 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.293 2.290 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.490 4.466 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.485 3.611 2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.504 2.241 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.620 3.604 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.007 3.932 2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.773 5.097 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.660 3.777 1.541 1.00 0.00 H new ATOM 532 N LEU A 64 -9.808 1.544 2.830 1.00 0.00 N ATOM 533 CA LEU A 64 -8.926 1.220 1.674 1.00 0.00 C ATOM 534 C LEU A 64 -8.264 -0.140 1.902 1.00 0.00 C ATOM 535 O LEU A 64 -7.946 -0.851 0.970 1.00 0.00 O ATOM 536 CB LEU A 64 -7.848 2.297 1.536 1.00 0.00 C ATOM 537 CG LEU A 64 -7.946 2.940 0.152 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.758 1.869 -0.923 1.00 0.00 C ATOM 539 CD2 LEU A 64 -9.323 3.588 -0.010 1.00 0.00 C ATOM 0 H LEU A 64 -9.472 2.293 3.436 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.522 1.185 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.973 3.054 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.860 1.858 1.676 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.171 3.699 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.828 2.327 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.779 1.405 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.533 1.110 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.395 4.047 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.097 2.828 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.458 4.351 0.756 1.00 0.00 H new ATOM 551 N ALA A 65 -8.054 -0.508 3.137 1.00 0.00 N ATOM 552 CA ALA A 65 -7.413 -1.822 3.422 1.00 0.00 C ATOM 553 C ALA A 65 -8.405 -2.947 3.120 1.00 0.00 C ATOM 554 O ALA A 65 -8.106 -3.873 2.392 1.00 0.00 O ATOM 555 CB ALA A 65 -7.006 -1.882 4.896 1.00 0.00 C ATOM 0 H ALA A 65 -8.298 0.044 3.959 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.528 -1.939 2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.537 -2.843 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.301 -1.079 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.890 -1.766 5.523 1.00 0.00 H new ATOM 561 N ALA A 66 -9.585 -2.874 3.672 1.00 0.00 N ATOM 562 CA ALA A 66 -10.596 -3.937 3.415 1.00 0.00 C ATOM 563 C ALA A 66 -10.875 -4.026 1.913 1.00 0.00 C ATOM 564 O ALA A 66 -10.864 -5.093 1.332 1.00 0.00 O ATOM 565 CB ALA A 66 -11.891 -3.598 4.156 1.00 0.00 C ATOM 0 H ALA A 66 -9.892 -2.123 4.290 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.214 -4.894 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.632 -4.375 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.692 -3.536 5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.273 -2.640 3.802 1.00 0.00 H new ATOM 571 N GLU A 67 -11.123 -2.913 1.278 1.00 0.00 N ATOM 572 CA GLU A 67 -11.399 -2.938 -0.185 1.00 0.00 C ATOM 573 C GLU A 67 -10.258 -3.659 -0.903 1.00 0.00 C ATOM 574 O GLU A 67 -10.478 -4.505 -1.747 1.00 0.00 O ATOM 575 CB GLU A 67 -11.507 -1.505 -0.710 1.00 0.00 C ATOM 576 CG GLU A 67 -12.944 -1.233 -1.160 1.00 0.00 C ATOM 577 CD GLU A 67 -12.947 -0.124 -2.214 1.00 0.00 C ATOM 578 OE1 GLU A 67 -11.919 0.071 -2.843 1.00 0.00 O ATOM 579 OE2 GLU A 67 -13.976 0.511 -2.375 1.00 0.00 O ATOM 0 H GLU A 67 -11.146 -1.989 1.709 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.336 -3.463 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.219 -0.799 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.820 -1.359 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.386 -2.141 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.554 -0.939 -0.306 1.00 0.00 H new ATOM 586 N LEU A 68 -9.038 -3.333 -0.572 1.00 0.00 N ATOM 587 CA LEU A 68 -7.883 -4.003 -1.233 1.00 0.00 C ATOM 588 C LEU A 68 -7.960 -5.509 -0.977 1.00 0.00 C ATOM 589 O LEU A 68 -7.630 -6.312 -1.827 1.00 0.00 O ATOM 590 CB LEU A 68 -6.577 -3.453 -0.656 1.00 0.00 C ATOM 591 CG LEU A 68 -5.536 -3.339 -1.770 1.00 0.00 C ATOM 592 CD1 LEU A 68 -5.635 -1.959 -2.423 1.00 0.00 C ATOM 593 CD2 LEU A 68 -4.137 -3.522 -1.177 1.00 0.00 C ATOM 0 H LEU A 68 -8.792 -2.632 0.127 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.913 -3.813 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.750 -2.476 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.211 -4.110 0.133 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.719 -4.109 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.893 -1.878 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.632 -1.826 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.451 -1.188 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.393 -3.441 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.955 -2.751 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.065 -4.505 -0.711 1.00 0.00 H new ATOM 605 N LYS A 69 -8.397 -5.897 0.190 1.00 0.00 N ATOM 606 CA LYS A 69 -8.501 -7.350 0.504 1.00 0.00 C ATOM 607 C LYS A 69 -9.485 -8.007 -0.465 1.00 0.00 C ATOM 608 O LYS A 69 -9.286 -9.121 -0.908 1.00 0.00 O ATOM 609 CB LYS A 69 -9.000 -7.526 1.940 1.00 0.00 C ATOM 610 CG LYS A 69 -9.247 -9.009 2.217 1.00 0.00 C ATOM 611 CD LYS A 69 -10.752 -9.281 2.234 1.00 0.00 C ATOM 612 CE LYS A 69 -11.016 -10.657 2.847 1.00 0.00 C ATOM 613 NZ LYS A 69 -12.423 -10.724 3.331 1.00 0.00 N ATOM 0 H LYS A 69 -8.687 -5.270 0.940 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.522 -7.818 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.266 -7.132 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.919 -6.960 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.765 -9.618 1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.805 -9.290 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.265 -8.510 2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.151 -9.240 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.837 -11.437 2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.327 -10.837 3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.603 -11.660 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.578 -9.989 4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.072 -10.570 2.533 1.00 0.00 H new ATOM 627 N LYS A 70 -10.545 -7.324 -0.802 1.00 0.00 N ATOM 628 CA LYS A 70 -11.538 -7.907 -1.748 1.00 0.00 C ATOM 629 C LYS A 70 -10.832 -8.250 -3.060 1.00 0.00 C ATOM 630 O LYS A 70 -11.256 -9.115 -3.800 1.00 0.00 O ATOM 631 CB LYS A 70 -12.649 -6.888 -2.017 1.00 0.00 C ATOM 632 CG LYS A 70 -13.771 -7.067 -0.991 1.00 0.00 C ATOM 633 CD LYS A 70 -15.085 -6.538 -1.574 1.00 0.00 C ATOM 634 CE LYS A 70 -16.189 -6.634 -0.519 1.00 0.00 C ATOM 635 NZ LYS A 70 -16.823 -5.297 -0.340 1.00 0.00 N ATOM 0 H LYS A 70 -10.766 -6.388 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.974 -8.808 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.249 -5.876 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.041 -7.020 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.875 -8.120 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.527 -6.533 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.962 -5.503 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.361 -7.114 -2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.937 -7.365 -0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.773 -6.981 0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.573 -5.362 0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.105 -4.611 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.233 -4.984 -1.243 1.00 0.00 H new ATOM 649 N LYS A 71 -9.754 -7.573 -3.349 1.00 0.00 N ATOM 650 CA LYS A 71 -9.009 -7.848 -4.609 1.00 0.00 C ATOM 651 C LYS A 71 -7.567 -8.233 -4.268 1.00 0.00 C ATOM 652 O LYS A 71 -6.626 -7.692 -4.814 1.00 0.00 O ATOM 653 CB LYS A 71 -9.004 -6.591 -5.481 1.00 0.00 C ATOM 654 CG LYS A 71 -10.366 -6.433 -6.162 1.00 0.00 C ATOM 655 CD LYS A 71 -10.181 -5.763 -7.525 1.00 0.00 C ATOM 656 CE LYS A 71 -10.417 -4.257 -7.390 1.00 0.00 C ATOM 657 NZ LYS A 71 -9.110 -3.541 -7.442 1.00 0.00 N ATOM 0 H LYS A 71 -9.356 -6.838 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.490 -8.664 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.787 -5.714 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.217 -6.660 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.838 -7.408 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.029 -5.834 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.176 -5.952 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.877 -6.188 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.067 -3.907 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.925 -4.041 -6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.271 -2.518 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.504 -3.868 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.642 -3.738 -8.350 1.00 0.00 H new ATOM 671 N CYS A 72 -7.384 -9.160 -3.367 1.00 0.00 N ATOM 672 CA CYS A 72 -6.000 -9.569 -2.994 1.00 0.00 C ATOM 673 C CYS A 72 -5.905 -11.095 -2.961 1.00 0.00 C ATOM 674 O CYS A 72 -5.174 -11.697 -3.723 1.00 0.00 O ATOM 675 CB CYS A 72 -5.659 -9.007 -1.611 1.00 0.00 C ATOM 676 SG CYS A 72 -3.890 -9.222 -1.291 1.00 0.00 S ATOM 0 H CYS A 72 -8.131 -9.650 -2.875 1.00 0.00 H new ATOM 0 HA CYS A 72 -5.297 -9.180 -3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.923 -7.951 -1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -6.243 -9.518 -0.845 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.727 -9.956 -0.231 1.00 0.00 H new ATOM 682 N GLY A 73 -6.633 -11.726 -2.081 1.00 0.00 N ATOM 683 CA GLY A 73 -6.580 -13.213 -1.994 1.00 0.00 C ATOM 684 C GLY A 73 -6.115 -13.625 -0.596 1.00 0.00 C ATOM 685 O GLY A 73 -5.820 -14.776 -0.343 1.00 0.00 O ATOM 0 H GLY A 73 -7.263 -11.275 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.563 -13.635 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.898 -13.608 -2.747 1.00 0.00 H new ATOM 689 N CYS A 74 -6.049 -12.691 0.315 1.00 0.00 N ATOM 690 CA CYS A 74 -5.602 -13.024 1.698 1.00 0.00 C ATOM 691 C CYS A 74 -5.337 -11.726 2.468 1.00 0.00 C ATOM 692 O CYS A 74 -4.613 -10.861 2.017 1.00 0.00 O ATOM 693 CB CYS A 74 -4.319 -13.862 1.627 1.00 0.00 C ATOM 694 SG CYS A 74 -3.499 -13.889 3.244 1.00 0.00 S ATOM 0 H CYS A 74 -6.286 -11.711 0.161 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.375 -13.595 2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.557 -14.879 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.646 -13.447 0.877 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.416 -14.604 3.169 1.00 0.00 H new ATOM 700 N GLY A 75 -5.919 -11.586 3.628 1.00 0.00 N ATOM 701 CA GLY A 75 -5.701 -10.347 4.427 1.00 0.00 C ATOM 702 C GLY A 75 -4.564 -10.572 5.425 1.00 0.00 C ATOM 703 O GLY A 75 -4.744 -11.183 6.459 1.00 0.00 O ATOM 0 H GLY A 75 -6.536 -12.276 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.459 -9.514 3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.615 -10.078 4.957 1.00 0.00 H new ATOM 707 N GLY A 76 -3.393 -10.078 5.126 1.00 0.00 N ATOM 708 CA GLY A 76 -2.247 -10.261 6.061 1.00 0.00 C ATOM 709 C GLY A 76 -2.509 -9.478 7.348 1.00 0.00 C ATOM 710 O GLY A 76 -3.358 -9.833 8.141 1.00 0.00 O ATOM 0 H GLY A 76 -3.181 -9.556 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.114 -11.319 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.324 -9.916 5.594 1.00 0.00 H new ATOM 714 N ALA A 77 -1.789 -8.411 7.561 1.00 0.00 N ATOM 715 CA ALA A 77 -1.999 -7.605 8.796 1.00 0.00 C ATOM 716 C ALA A 77 -2.599 -6.249 8.419 1.00 0.00 C ATOM 717 O ALA A 77 -2.028 -5.500 7.652 1.00 0.00 O ATOM 718 CB ALA A 77 -0.657 -7.391 9.501 1.00 0.00 C ATOM 0 H ALA A 77 -1.065 -8.063 6.933 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.679 -8.132 9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.811 -6.801 10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.228 -8.357 9.767 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.024 -6.862 8.834 1.00 0.00 H new ATOM 724 N VAL A 78 -3.747 -5.928 8.948 1.00 0.00 N ATOM 725 CA VAL A 78 -4.378 -4.621 8.613 1.00 0.00 C ATOM 726 C VAL A 78 -4.481 -3.757 9.872 1.00 0.00 C ATOM 727 O VAL A 78 -5.534 -3.634 10.466 1.00 0.00 O ATOM 728 CB VAL A 78 -5.778 -4.857 8.046 1.00 0.00 C ATOM 729 CG1 VAL A 78 -6.351 -3.533 7.535 1.00 0.00 C ATOM 730 CG2 VAL A 78 -5.699 -5.858 6.890 1.00 0.00 C ATOM 0 H VAL A 78 -4.274 -6.513 9.596 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.765 -4.109 7.871 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.424 -5.255 8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.349 -3.701 7.131 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.408 -2.820 8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.705 -3.135 6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.697 -6.026 6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.053 -5.460 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.291 -6.801 7.253 1.00 0.00 H new ATOM 740 N LYS A 79 -3.399 -3.152 10.280 1.00 0.00 N ATOM 741 CA LYS A 79 -3.443 -2.291 11.495 1.00 0.00 C ATOM 742 C LYS A 79 -3.829 -0.867 11.089 1.00 0.00 C ATOM 743 O LYS A 79 -3.469 -0.396 10.028 1.00 0.00 O ATOM 744 CB LYS A 79 -2.065 -2.276 12.163 1.00 0.00 C ATOM 745 CG LYS A 79 -1.688 -3.695 12.593 1.00 0.00 C ATOM 746 CD LYS A 79 -0.314 -3.675 13.268 1.00 0.00 C ATOM 747 CE LYS A 79 -0.482 -3.888 14.774 1.00 0.00 C ATOM 748 NZ LYS A 79 0.113 -2.734 15.508 1.00 0.00 N ATOM 0 H LYS A 79 -2.488 -3.217 9.825 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.179 -2.685 12.196 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.319 -1.884 11.472 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.076 -1.614 13.029 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.437 -4.089 13.280 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.670 -4.356 11.727 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.321 -4.455 12.848 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.183 -2.724 13.078 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.539 -3.985 15.023 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.004 -4.815 15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.001 -2.878 16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.125 -2.661 15.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.370 -1.857 15.226 1.00 0.00 H new ATOM 762 N ASP A 80 -4.558 -0.177 11.922 1.00 0.00 N ATOM 763 CA ASP A 80 -4.964 1.214 11.577 1.00 0.00 C ATOM 764 C ASP A 80 -3.722 2.104 11.498 1.00 0.00 C ATOM 765 O ASP A 80 -3.292 2.673 12.481 1.00 0.00 O ATOM 766 CB ASP A 80 -5.910 1.751 12.653 1.00 0.00 C ATOM 767 CG ASP A 80 -7.308 1.166 12.444 1.00 0.00 C ATOM 768 OD1 ASP A 80 -7.497 0.005 12.768 1.00 0.00 O ATOM 769 OD2 ASP A 80 -8.166 1.888 11.964 1.00 0.00 O ATOM 0 H ASP A 80 -4.890 -0.516 12.825 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.473 1.215 10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.538 1.487 13.643 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.949 2.839 12.607 1.00 0.00 H new ATOM 774 N GLY A 81 -3.143 2.229 10.335 1.00 0.00 N ATOM 775 CA GLY A 81 -1.930 3.084 10.196 1.00 0.00 C ATOM 776 C GLY A 81 -0.824 2.297 9.491 1.00 0.00 C ATOM 777 O GLY A 81 0.063 2.863 8.884 1.00 0.00 O ATOM 0 H GLY A 81 -3.457 1.777 9.476 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.170 3.983 9.627 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.588 3.410 11.178 1.00 0.00 H new ATOM 781 N VAL A 82 -0.867 0.994 9.565 1.00 0.00 N ATOM 782 CA VAL A 82 0.185 0.176 8.897 1.00 0.00 C ATOM 783 C VAL A 82 -0.458 -1.042 8.232 1.00 0.00 C ATOM 784 O VAL A 82 -1.327 -1.680 8.791 1.00 0.00 O ATOM 785 CB VAL A 82 1.205 -0.291 9.935 1.00 0.00 C ATOM 786 CG1 VAL A 82 2.539 -0.580 9.244 1.00 0.00 C ATOM 787 CG2 VAL A 82 1.401 0.805 10.985 1.00 0.00 C ATOM 0 H VAL A 82 -1.584 0.462 10.058 1.00 0.00 H new ATOM 0 HA VAL A 82 0.686 0.780 8.141 1.00 0.00 H new ATOM 0 HB VAL A 82 0.843 -1.198 10.419 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.267 -0.913 9.984 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.399 -1.360 8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.902 0.327 8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.128 0.473 11.726 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.764 1.712 10.501 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.451 1.012 11.477 1.00 0.00 H new ATOM 797 N ILE A 83 -0.036 -1.368 7.042 1.00 0.00 N ATOM 798 CA ILE A 83 -0.622 -2.544 6.341 1.00 0.00 C ATOM 799 C ILE A 83 0.502 -3.420 5.783 1.00 0.00 C ATOM 800 O ILE A 83 1.451 -2.934 5.201 1.00 0.00 O ATOM 801 CB ILE A 83 -1.509 -2.061 5.191 1.00 0.00 C ATOM 802 CG1 ILE A 83 -2.246 -0.789 5.618 1.00 0.00 C ATOM 803 CG2 ILE A 83 -2.527 -3.148 4.839 1.00 0.00 C ATOM 804 CD1 ILE A 83 -2.885 -0.133 4.393 1.00 0.00 C ATOM 0 H ILE A 83 0.689 -0.871 6.525 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.219 -3.125 7.044 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.891 -1.848 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.012 -1.030 6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.552 -0.096 6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.158 -2.804 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.002 -4.054 4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.147 -3.362 5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.410 0.773 4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.109 0.122 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.592 -0.826 3.936 1.00 0.00 H new ATOM 816 N GLU A 84 0.400 -4.710 5.955 1.00 0.00 N ATOM 817 CA GLU A 84 1.460 -5.617 5.433 1.00 0.00 C ATOM 818 C GLU A 84 0.805 -6.772 4.674 1.00 0.00 C ATOM 819 O GLU A 84 0.076 -7.564 5.239 1.00 0.00 O ATOM 820 CB GLU A 84 2.279 -6.171 6.600 1.00 0.00 C ATOM 821 CG GLU A 84 2.759 -5.014 7.478 1.00 0.00 C ATOM 822 CD GLU A 84 3.418 -5.570 8.742 1.00 0.00 C ATOM 823 OE1 GLU A 84 3.607 -6.774 8.807 1.00 0.00 O ATOM 824 OE2 GLU A 84 3.722 -4.783 9.623 1.00 0.00 O ATOM 0 H GLU A 84 -0.371 -5.174 6.434 1.00 0.00 H new ATOM 0 HA GLU A 84 2.117 -5.064 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.674 -6.861 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.132 -6.735 6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.468 -4.396 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.918 -4.374 7.745 1.00 0.00 H new ATOM 831 N ILE A 85 1.053 -6.873 3.397 1.00 0.00 N ATOM 832 CA ILE A 85 0.438 -7.975 2.606 1.00 0.00 C ATOM 833 C ILE A 85 1.382 -8.383 1.473 1.00 0.00 C ATOM 834 O ILE A 85 2.095 -7.569 0.922 1.00 0.00 O ATOM 835 CB ILE A 85 -0.888 -7.495 2.013 1.00 0.00 C ATOM 836 CG1 ILE A 85 -1.802 -7.005 3.140 1.00 0.00 C ATOM 837 CG2 ILE A 85 -1.566 -8.648 1.273 1.00 0.00 C ATOM 838 CD1 ILE A 85 -3.126 -6.518 2.548 1.00 0.00 C ATOM 0 H ILE A 85 1.654 -6.241 2.868 1.00 0.00 H new ATOM 0 HA ILE A 85 0.260 -8.832 3.256 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.699 -6.679 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.984 -7.811 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.318 -6.198 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.510 -8.304 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.916 -8.998 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.755 -9.465 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.777 -6.169 3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.935 -5.700 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.611 -7.338 2.018 1.00 0.00 H new ATOM 850 N GLN A 86 1.390 -9.640 1.119 1.00 0.00 N ATOM 851 CA GLN A 86 2.285 -10.099 0.020 1.00 0.00 C ATOM 852 C GLN A 86 1.737 -9.603 -1.319 1.00 0.00 C ATOM 853 O GLN A 86 0.542 -9.580 -1.541 1.00 0.00 O ATOM 854 CB GLN A 86 2.341 -11.629 0.014 1.00 0.00 C ATOM 855 CG GLN A 86 3.791 -12.089 -0.153 1.00 0.00 C ATOM 856 CD GLN A 86 3.847 -13.618 -0.129 1.00 0.00 C ATOM 857 OE1 GLN A 86 3.146 -14.276 -0.873 1.00 0.00 O ATOM 858 NE2 GLN A 86 4.657 -14.217 0.702 1.00 0.00 N ATOM 0 H GLN A 86 0.815 -10.368 1.544 1.00 0.00 H new ATOM 0 HA GLN A 86 3.288 -9.700 0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 86 1.929 -12.022 0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.728 -12.022 -0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.197 -11.714 -1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.408 -11.679 0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.246 -13.666 1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.701 -15.236 0.726 1.00 0.00 H new ATOM 867 N GLY A 87 2.598 -9.204 -2.214 1.00 0.00 N ATOM 868 CA GLY A 87 2.122 -8.710 -3.537 1.00 0.00 C ATOM 869 C GLY A 87 3.276 -8.027 -4.273 1.00 0.00 C ATOM 870 O GLY A 87 3.868 -7.087 -3.782 1.00 0.00 O ATOM 0 H GLY A 87 3.610 -9.199 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.739 -9.540 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.298 -8.009 -3.400 1.00 0.00 H new ATOM 874 N ASP A 88 3.600 -8.494 -5.448 1.00 0.00 N ATOM 875 CA ASP A 88 4.716 -7.872 -6.214 1.00 0.00 C ATOM 876 C ASP A 88 4.147 -7.063 -7.381 1.00 0.00 C ATOM 877 O ASP A 88 4.550 -7.224 -8.515 1.00 0.00 O ATOM 878 CB ASP A 88 5.634 -8.970 -6.755 1.00 0.00 C ATOM 879 CG ASP A 88 6.178 -9.802 -5.592 1.00 0.00 C ATOM 880 OD1 ASP A 88 5.722 -9.597 -4.479 1.00 0.00 O ATOM 881 OD2 ASP A 88 7.040 -10.630 -5.834 1.00 0.00 O ATOM 0 H ASP A 88 3.140 -9.279 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 88 5.283 -7.212 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.085 -9.609 -7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.457 -8.527 -7.315 1.00 0.00 H new ATOM 886 N LYS A 89 3.212 -6.194 -7.112 1.00 0.00 N ATOM 887 CA LYS A 89 2.620 -5.376 -8.208 1.00 0.00 C ATOM 888 C LYS A 89 2.588 -3.906 -7.787 1.00 0.00 C ATOM 889 O LYS A 89 1.560 -3.259 -7.829 1.00 0.00 O ATOM 890 CB LYS A 89 1.195 -5.858 -8.492 1.00 0.00 C ATOM 891 CG LYS A 89 1.198 -7.375 -8.687 1.00 0.00 C ATOM 892 CD LYS A 89 -0.191 -7.836 -9.134 1.00 0.00 C ATOM 893 CE LYS A 89 -0.168 -9.341 -9.406 1.00 0.00 C ATOM 894 NZ LYS A 89 -1.492 -9.769 -9.942 1.00 0.00 N ATOM 0 H LYS A 89 2.833 -6.015 -6.182 1.00 0.00 H new ATOM 0 HA LYS A 89 3.225 -5.482 -9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.537 -5.588 -7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.805 -5.367 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.943 -7.655 -9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.475 -7.871 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.927 -7.606 -8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.492 -7.298 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.620 -9.580 -10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.058 -9.884 -8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.477 -10.792 -10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.234 -9.554 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.689 -9.260 -10.827 1.00 0.00 H new ATOM 908 N ARG A 90 3.708 -3.372 -7.381 1.00 0.00 N ATOM 909 CA ARG A 90 3.744 -1.944 -6.959 1.00 0.00 C ATOM 910 C ARG A 90 3.153 -1.072 -8.069 1.00 0.00 C ATOM 911 O ARG A 90 2.621 -0.008 -7.819 1.00 0.00 O ATOM 912 CB ARG A 90 5.192 -1.526 -6.698 1.00 0.00 C ATOM 913 CG ARG A 90 5.964 -1.505 -8.018 1.00 0.00 C ATOM 914 CD ARG A 90 7.464 -1.413 -7.732 1.00 0.00 C ATOM 915 NE ARG A 90 8.225 -1.610 -8.998 1.00 0.00 N ATOM 916 CZ ARG A 90 9.518 -1.432 -9.016 1.00 0.00 C ATOM 917 NH1 ARG A 90 10.057 -0.485 -8.299 1.00 0.00 N ATOM 918 NH2 ARG A 90 10.271 -2.202 -9.753 1.00 0.00 N ATOM 0 H ARG A 90 4.600 -3.864 -7.324 1.00 0.00 H new ATOM 0 HA ARG A 90 3.160 -1.818 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.219 -0.540 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.662 -2.220 -6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.747 -2.406 -8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.646 -0.656 -8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.703 -0.442 -7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.752 -2.168 -7.001 1.00 0.00 H new ATOM 0 HE ARG A 90 7.736 -1.884 -9.850 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.468 0.117 -7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.067 -0.347 -8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.849 -2.942 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.281 -2.064 -9.768 1.00 0.00 H new ATOM 932 N ASP A 91 3.240 -1.515 -9.293 1.00 0.00 N ATOM 933 CA ASP A 91 2.683 -0.713 -10.418 1.00 0.00 C ATOM 934 C ASP A 91 1.162 -0.625 -10.275 1.00 0.00 C ATOM 935 O ASP A 91 0.589 0.446 -10.279 1.00 0.00 O ATOM 936 CB ASP A 91 3.032 -1.387 -11.746 1.00 0.00 C ATOM 937 CG ASP A 91 2.754 -0.421 -12.899 1.00 0.00 C ATOM 938 OD1 ASP A 91 2.325 0.688 -12.626 1.00 0.00 O ATOM 939 OD2 ASP A 91 2.974 -0.807 -14.036 1.00 0.00 O ATOM 0 H ASP A 91 3.673 -2.398 -9.563 1.00 0.00 H new ATOM 0 HA ASP A 91 3.109 0.290 -10.397 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.081 -1.683 -11.751 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.444 -2.296 -11.870 1.00 0.00 H new ATOM 944 N LEU A 92 0.504 -1.745 -10.148 1.00 0.00 N ATOM 945 CA LEU A 92 -0.979 -1.726 -10.004 1.00 0.00 C ATOM 946 C LEU A 92 -1.360 -0.903 -8.772 1.00 0.00 C ATOM 947 O LEU A 92 -2.220 -0.046 -8.828 1.00 0.00 O ATOM 948 CB LEU A 92 -1.494 -3.158 -9.840 1.00 0.00 C ATOM 949 CG LEU A 92 -3.023 -3.148 -9.800 1.00 0.00 C ATOM 950 CD1 LEU A 92 -3.565 -4.205 -10.764 1.00 0.00 C ATOM 951 CD2 LEU A 92 -3.497 -3.464 -8.380 1.00 0.00 C ATOM 0 H LEU A 92 0.929 -2.672 -10.138 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.425 -1.279 -10.892 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.145 -3.778 -10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.098 -3.596 -8.923 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.388 -2.164 -10.096 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.655 -4.198 -10.736 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.227 -3.982 -11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.200 -5.189 -10.468 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.587 -3.457 -8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.132 -4.448 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.110 -2.712 -7.692 1.00 0.00 H new ATOM 963 N LEU A 93 -0.728 -1.156 -7.659 1.00 0.00 N ATOM 964 CA LEU A 93 -1.055 -0.388 -6.425 1.00 0.00 C ATOM 965 C LEU A 93 -0.941 1.111 -6.713 1.00 0.00 C ATOM 966 O LEU A 93 -1.731 1.905 -6.243 1.00 0.00 O ATOM 967 CB LEU A 93 -0.077 -0.770 -5.311 1.00 0.00 C ATOM 968 CG LEU A 93 -0.461 -2.136 -4.741 1.00 0.00 C ATOM 969 CD1 LEU A 93 0.804 -2.887 -4.320 1.00 0.00 C ATOM 970 CD2 LEU A 93 -1.367 -1.943 -3.523 1.00 0.00 C ATOM 0 H LEU A 93 0.001 -1.861 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.072 -0.622 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.941 -0.800 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.095 -0.017 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.990 -2.711 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.531 -3.861 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.451 -3.024 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.333 -2.312 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.641 -2.916 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.838 -1.368 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.268 -1.407 -3.821 1.00 0.00 H new ATOM 982 N LYS A 94 0.038 1.504 -7.481 1.00 0.00 N ATOM 983 CA LYS A 94 0.201 2.951 -7.798 1.00 0.00 C ATOM 984 C LYS A 94 -0.957 3.413 -8.685 1.00 0.00 C ATOM 985 O LYS A 94 -1.379 4.551 -8.629 1.00 0.00 O ATOM 986 CB LYS A 94 1.525 3.166 -8.536 1.00 0.00 C ATOM 987 CG LYS A 94 1.718 4.658 -8.815 1.00 0.00 C ATOM 988 CD LYS A 94 1.985 4.867 -10.307 1.00 0.00 C ATOM 989 CE LYS A 94 3.492 4.980 -10.545 1.00 0.00 C ATOM 990 NZ LYS A 94 3.742 5.424 -11.946 1.00 0.00 N ATOM 0 H LYS A 94 0.732 0.886 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 94 0.203 3.527 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.353 2.787 -7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.527 2.607 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.830 5.213 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.551 5.044 -8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.577 4.035 -10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.483 5.770 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.929 5.690 -9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.972 4.018 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.766 5.501 -12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.338 4.730 -12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.296 6.351 -12.101 1.00 0.00 H new ATOM 1004 N SER A 95 -1.475 2.539 -9.503 1.00 0.00 N ATOM 1005 CA SER A 95 -2.605 2.928 -10.393 1.00 0.00 C ATOM 1006 C SER A 95 -3.850 3.204 -9.546 1.00 0.00 C ATOM 1007 O SER A 95 -4.349 4.311 -9.501 1.00 0.00 O ATOM 1008 CB SER A 95 -2.897 1.792 -11.373 1.00 0.00 C ATOM 1009 OG SER A 95 -3.844 2.235 -12.337 1.00 0.00 O ATOM 0 H SER A 95 -1.164 1.572 -9.594 1.00 0.00 H new ATOM 0 HA SER A 95 -2.337 3.827 -10.949 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.978 1.477 -11.867 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.284 0.925 -10.838 1.00 0.00 H new ATOM 0 HG SER A 95 -4.032 1.509 -12.968 1.00 0.00 H new ATOM 1015 N LEU A 96 -4.356 2.205 -8.876 1.00 0.00 N ATOM 1016 CA LEU A 96 -5.568 2.411 -8.034 1.00 0.00 C ATOM 1017 C LEU A 96 -5.355 3.619 -7.119 1.00 0.00 C ATOM 1018 O LEU A 96 -6.259 4.394 -6.877 1.00 0.00 O ATOM 1019 CB LEU A 96 -5.817 1.164 -7.183 1.00 0.00 C ATOM 1020 CG LEU A 96 -4.525 0.768 -6.467 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -4.476 1.436 -5.092 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -4.484 -0.752 -6.296 1.00 0.00 C ATOM 0 H LEU A 96 -3.983 1.256 -8.875 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.430 2.590 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.604 1.359 -6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.162 0.344 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.669 1.092 -7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.555 1.153 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.506 2.519 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.332 1.113 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.564 -1.036 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.341 -1.075 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.518 -1.229 -7.275 1.00 0.00 H new ATOM 1034 N LEU A 97 -4.166 3.786 -6.608 1.00 0.00 N ATOM 1035 CA LEU A 97 -3.897 4.944 -5.710 1.00 0.00 C ATOM 1036 C LEU A 97 -4.174 6.247 -6.461 1.00 0.00 C ATOM 1037 O LEU A 97 -4.799 7.152 -5.944 1.00 0.00 O ATOM 1038 CB LEU A 97 -2.433 4.913 -5.264 1.00 0.00 C ATOM 1039 CG LEU A 97 -2.327 5.420 -3.824 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -2.846 6.857 -3.748 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -3.165 4.526 -2.907 1.00 0.00 C ATOM 0 H LEU A 97 -3.370 3.171 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.545 4.885 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.042 3.898 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.827 5.533 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.285 5.394 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.770 7.217 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.250 7.494 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.888 6.885 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.090 4.886 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.207 4.552 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.795 3.502 -2.960 1.00 0.00 H new ATOM 1053 N GLU A 98 -3.713 6.351 -7.677 1.00 0.00 N ATOM 1054 CA GLU A 98 -3.949 7.597 -8.460 1.00 0.00 C ATOM 1055 C GLU A 98 -5.433 7.698 -8.822 1.00 0.00 C ATOM 1056 O GLU A 98 -5.923 8.750 -9.182 1.00 0.00 O ATOM 1057 CB GLU A 98 -3.113 7.560 -9.741 1.00 0.00 C ATOM 1058 CG GLU A 98 -2.406 8.904 -9.928 1.00 0.00 C ATOM 1059 CD GLU A 98 -1.959 9.048 -11.384 1.00 0.00 C ATOM 1060 OE1 GLU A 98 -2.801 9.341 -12.215 1.00 0.00 O ATOM 1061 OE2 GLU A 98 -0.781 8.862 -11.642 1.00 0.00 O ATOM 0 H GLU A 98 -3.183 5.627 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.661 8.462 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.379 6.756 -9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.752 7.351 -10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.077 9.720 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.544 8.969 -9.264 1.00 0.00 H new ATOM 1068 N ALA A 99 -6.152 6.613 -8.729 1.00 0.00 N ATOM 1069 CA ALA A 99 -7.602 6.650 -9.068 1.00 0.00 C ATOM 1070 C ALA A 99 -8.347 7.490 -8.029 1.00 0.00 C ATOM 1071 O ALA A 99 -9.375 8.075 -8.310 1.00 0.00 O ATOM 1072 CB ALA A 99 -8.162 5.226 -9.069 1.00 0.00 C ATOM 0 H ALA A 99 -5.798 5.703 -8.433 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.733 7.093 -10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.223 5.252 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.631 4.627 -9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.031 4.783 -8.082 1.00 0.00 H new ATOM 1078 N LYS A 100 -7.837 7.556 -6.829 1.00 0.00 N ATOM 1079 CA LYS A 100 -8.517 8.359 -5.774 1.00 0.00 C ATOM 1080 C LYS A 100 -8.074 9.820 -5.881 1.00 0.00 C ATOM 1081 O LYS A 100 -8.696 10.709 -5.335 1.00 0.00 O ATOM 1082 CB LYS A 100 -8.142 7.812 -4.396 1.00 0.00 C ATOM 1083 CG LYS A 100 -9.013 6.596 -4.075 1.00 0.00 C ATOM 1084 CD LYS A 100 -8.446 5.361 -4.777 1.00 0.00 C ATOM 1085 CE LYS A 100 -9.522 4.277 -4.854 1.00 0.00 C ATOM 1086 NZ LYS A 100 -9.140 3.269 -5.884 1.00 0.00 N ATOM 0 H LYS A 100 -6.980 7.089 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.597 8.296 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.089 7.533 -4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.280 8.582 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.045 6.432 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.038 6.774 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.107 5.623 -5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.578 4.988 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.638 3.795 -3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.485 4.722 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.855 3.257 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.214 3.518 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.084 2.328 -5.445 1.00 0.00 H new ATOM 1100 N GLY A 101 -7.002 10.075 -6.580 1.00 0.00 N ATOM 1101 CA GLY A 101 -6.520 11.478 -6.721 1.00 0.00 C ATOM 1102 C GLY A 101 -5.570 11.811 -5.569 1.00 0.00 C ATOM 1103 O GLY A 101 -5.389 12.958 -5.213 1.00 0.00 O ATOM 0 H GLY A 101 -6.439 9.372 -7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.009 11.604 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.366 12.166 -6.719 1.00 0.00 H new ATOM 1107 N MET A 102 -4.962 10.816 -4.983 1.00 0.00 N ATOM 1108 CA MET A 102 -4.024 11.077 -3.854 1.00 0.00 C ATOM 1109 C MET A 102 -2.587 11.091 -4.378 1.00 0.00 C ATOM 1110 O MET A 102 -2.327 10.752 -5.516 1.00 0.00 O ATOM 1111 CB MET A 102 -4.173 9.975 -2.802 1.00 0.00 C ATOM 1112 CG MET A 102 -5.650 9.601 -2.661 1.00 0.00 C ATOM 1113 SD MET A 102 -6.039 9.333 -0.914 1.00 0.00 S ATOM 1114 CE MET A 102 -5.475 7.617 -0.815 1.00 0.00 C ATOM 0 H MET A 102 -5.074 9.834 -5.237 1.00 0.00 H new ATOM 0 HA MET A 102 -4.256 12.042 -3.404 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.591 9.100 -3.092 1.00 0.00 H new ATOM 0 HB3 MET A 102 -3.780 10.316 -1.844 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.278 10.394 -3.067 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.865 8.700 -3.235 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.006 7.443 0.154 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.327 6.947 -0.931 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.752 7.425 -1.608 1.00 0.00 H new ATOM 1124 N LYS A 103 -1.650 11.480 -3.557 1.00 0.00 N ATOM 1125 CA LYS A 103 -0.231 11.515 -4.009 1.00 0.00 C ATOM 1126 C LYS A 103 0.392 10.127 -3.843 1.00 0.00 C ATOM 1127 O LYS A 103 -0.150 9.269 -3.175 1.00 0.00 O ATOM 1128 CB LYS A 103 0.548 12.528 -3.167 1.00 0.00 C ATOM 1129 CG LYS A 103 1.078 13.643 -4.070 1.00 0.00 C ATOM 1130 CD LYS A 103 1.991 14.566 -3.260 1.00 0.00 C ATOM 1131 CE LYS A 103 2.942 15.302 -4.205 1.00 0.00 C ATOM 1132 NZ LYS A 103 3.752 16.283 -3.429 1.00 0.00 N ATOM 0 H LYS A 103 -1.806 11.775 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.191 11.808 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -0.097 12.947 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.375 12.034 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.627 13.216 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.248 14.212 -4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.394 15.283 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.560 13.986 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.597 14.590 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.375 15.816 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.399 16.784 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.120 16.969 -2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.303 15.781 -2.704 1.00 0.00 H new ATOM 1146 N VAL A 104 1.527 9.900 -4.446 1.00 0.00 N ATOM 1147 CA VAL A 104 2.183 8.568 -4.323 1.00 0.00 C ATOM 1148 C VAL A 104 3.702 8.741 -4.371 1.00 0.00 C ATOM 1149 O VAL A 104 4.243 9.302 -5.303 1.00 0.00 O ATOM 1150 CB VAL A 104 1.735 7.670 -5.477 1.00 0.00 C ATOM 1151 CG1 VAL A 104 2.007 6.207 -5.122 1.00 0.00 C ATOM 1152 CG2 VAL A 104 0.236 7.864 -5.721 1.00 0.00 C ATOM 0 H VAL A 104 2.028 10.579 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 104 1.900 8.110 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 104 2.289 7.934 -6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.687 5.567 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.074 6.067 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.454 5.942 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.085 7.224 -6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.317 7.600 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.040 8.906 -5.974 1.00 0.00 H new ATOM 1162 N LYS A 105 4.395 8.264 -3.373 1.00 0.00 N ATOM 1163 CA LYS A 105 5.879 8.402 -3.364 1.00 0.00 C ATOM 1164 C LYS A 105 6.520 7.031 -3.589 1.00 0.00 C ATOM 1165 O LYS A 105 6.971 6.387 -2.663 1.00 0.00 O ATOM 1166 CB LYS A 105 6.330 8.961 -2.012 1.00 0.00 C ATOM 1167 CG LYS A 105 7.002 10.319 -2.220 1.00 0.00 C ATOM 1168 CD LYS A 105 6.890 11.146 -0.937 1.00 0.00 C ATOM 1169 CE LYS A 105 7.968 12.231 -0.933 1.00 0.00 C ATOM 1170 NZ LYS A 105 7.837 13.057 0.301 1.00 0.00 N ATOM 0 H LYS A 105 3.998 7.785 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 105 6.186 9.081 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.474 9.065 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.024 8.270 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.050 10.181 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.530 10.847 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.902 11.600 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.004 10.502 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.957 11.776 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.869 12.861 -1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.570 13.795 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.897 13.502 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.952 12.451 1.138 1.00 0.00 H new ATOM 1184 N LEU A 106 6.563 6.580 -4.813 1.00 0.00 N ATOM 1185 CA LEU A 106 7.175 5.252 -5.096 1.00 0.00 C ATOM 1186 C LEU A 106 8.510 5.137 -4.356 1.00 0.00 C ATOM 1187 O LEU A 106 9.497 5.732 -4.741 1.00 0.00 O ATOM 1188 CB LEU A 106 7.412 5.110 -6.601 1.00 0.00 C ATOM 1189 CG LEU A 106 6.207 4.424 -7.245 1.00 0.00 C ATOM 1190 CD1 LEU A 106 6.202 4.706 -8.749 1.00 0.00 C ATOM 1191 CD2 LEU A 106 6.296 2.914 -7.011 1.00 0.00 C ATOM 0 H LEU A 106 6.201 7.074 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 106 6.503 4.463 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.568 6.091 -7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.316 4.529 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 106 5.289 4.809 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.343 4.217 -9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.140 5.781 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.119 4.321 -9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.437 2.424 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.214 2.530 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.300 2.711 -5.940 1.00 0.00 H new ATOM 1203 N ALA A 107 8.548 4.376 -3.297 1.00 0.00 N ATOM 1204 CA ALA A 107 9.819 4.224 -2.534 1.00 0.00 C ATOM 1205 C ALA A 107 10.462 2.878 -2.877 1.00 0.00 C ATOM 1206 O ALA A 107 9.825 1.995 -3.415 1.00 0.00 O ATOM 1207 CB ALA A 107 9.524 4.281 -1.034 1.00 0.00 C ATOM 0 H ALA A 107 7.754 3.853 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 107 10.501 5.031 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.454 4.170 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.066 5.240 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.842 3.474 -0.766 1.00 0.00 H new ATOM 1213 N GLY A 108 11.719 2.715 -2.568 1.00 0.00 N ATOM 1214 CA GLY A 108 12.401 1.426 -2.877 1.00 0.00 C ATOM 1215 C GLY A 108 13.847 1.481 -2.382 1.00 0.00 C ATOM 1216 O GLY A 108 14.158 2.151 -1.417 1.00 0.00 O ATOM 0 H GLY A 108 12.303 3.418 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.874 0.600 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.380 1.240 -3.951 1.00 0.00 H new ATOM 1220 N GLY A 109 14.734 0.781 -3.034 1.00 0.00 N ATOM 1221 CA GLY A 109 16.160 0.793 -2.600 1.00 0.00 C ATOM 1222 C GLY A 109 16.727 2.206 -2.750 1.00 0.00 C ATOM 1223 O GLY A 109 16.035 3.186 -2.563 1.00 0.00 O ATOM 0 H GLY A 109 14.533 0.201 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 109 16.238 0.466 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 109 16.740 0.091 -3.200 1.00 0.00 H new ATOM 1227 N LEU A 110 17.984 2.318 -3.085 1.00 0.00 N ATOM 1228 CA LEU A 110 18.594 3.667 -3.246 1.00 0.00 C ATOM 1229 C LEU A 110 19.283 3.756 -4.610 1.00 0.00 C ATOM 1230 O LEU A 110 18.883 4.516 -5.469 1.00 0.00 O ATOM 1231 CB LEU A 110 19.625 3.896 -2.138 1.00 0.00 C ATOM 1232 CG LEU A 110 18.931 4.483 -0.908 1.00 0.00 C ATOM 1233 CD1 LEU A 110 19.874 4.410 0.294 1.00 0.00 C ATOM 1234 CD2 LEU A 110 18.564 5.944 -1.179 1.00 0.00 C ATOM 0 H LEU A 110 18.614 1.534 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 110 17.816 4.428 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 110 20.112 2.956 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.405 4.573 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 110 18.026 3.913 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.379 4.828 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.137 3.370 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 110 20.779 4.979 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.069 6.363 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 110 19.469 6.513 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 110 17.892 5.997 -2.036 1.00 0.00 H new ATOM 1246 N GLU A 111 20.315 2.985 -4.815 1.00 0.00 N ATOM 1247 CA GLU A 111 21.028 3.027 -6.123 1.00 0.00 C ATOM 1248 C GLU A 111 20.386 2.025 -7.085 1.00 0.00 C ATOM 1249 O GLU A 111 20.111 2.408 -8.210 1.00 0.00 O ATOM 1250 CB GLU A 111 22.499 2.662 -5.914 1.00 0.00 C ATOM 1251 CG GLU A 111 23.209 2.606 -7.268 1.00 0.00 C ATOM 1252 CD GLU A 111 24.665 2.183 -7.064 1.00 0.00 C ATOM 1253 OE1 GLU A 111 25.036 1.936 -5.929 1.00 0.00 O ATOM 1254 OE2 GLU A 111 25.384 2.113 -8.048 1.00 0.00 O ATOM 0 H GLU A 111 20.695 2.328 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 111 20.959 4.030 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 111 22.979 3.399 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 111 22.577 1.699 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 111 22.703 1.900 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 111 23.167 3.581 -7.753 1.00 0.00 H new TER 1261 GLU A 111