USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 643 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 Set 1.1: A 41 GLN : amide:sc= -1.07! X(o=-1.2!,f=-1.7) USER MOD Set 1.2: A 82 MET CE :methyl -137:sc= -0.121 (180deg=-0.429) USER MOD Single : A 7 SER OG : rot 23:sc= 0.0869 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 18 THR OG1 : rot -32:sc= 0.169 USER MOD Single : A 19 SER OG : rot 100:sc= 0.0841 USER MOD Single : A 20 MET CE :methyl 168:sc= -0.0276 (180deg=-0.255) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -142:sc= 0.0658 USER MOD Single : A 30 MET CE :methyl -151:sc= -2.33 (180deg=-3.17!) USER MOD Single : A 43 ASN : amide:sc= 0.108 X(o=0.11,f=-0.023) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.24) USER MOD Single : A 46 GLN : amide:sc= -0.329 K(o=-0.33,f=-4.6!) USER MOD Single : A 47 GLN : amide:sc= -0.0478 X(o=-0.048,f=-0.2) USER MOD Single : A 49 SER OG : rot -83:sc= 1.11 USER MOD Single : A 51 CYS SG : rot 14:sc= -3.35! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.631 X(o=-0.63,f=-0.22) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 73:sc= 1.45 USER MOD Single : A 66 SER OG : rot 160:sc= -2.11 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 59:sc= 0.205 USER MOD Single : A 75 SER OG : rot -74:sc= 0.342 USER MOD Single : A 77 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.74) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 1.25 (180deg=0.995) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 12.935 4.614 -0.965 1.00 0.00 N ATOM 32 CA SER A 7 12.096 3.445 -1.221 1.00 0.00 C ATOM 33 C SER A 7 12.929 2.175 -1.384 1.00 0.00 C ATOM 34 O SER A 7 12.384 1.081 -1.468 1.00 0.00 O ATOM 35 CB SER A 7 11.212 3.671 -2.454 1.00 0.00 C ATOM 36 OG SER A 7 10.451 4.862 -2.327 1.00 0.00 O ATOM 0 HA SER A 7 11.454 3.308 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.835 3.728 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.543 2.821 -2.586 1.00 0.00 H new ATOM 0 HG SER A 7 10.889 5.464 -1.689 1.00 0.00 H new ATOM 42 N GLN A 8 14.242 2.319 -1.362 1.00 0.00 N ATOM 43 CA GLN A 8 15.135 1.215 -1.677 1.00 0.00 C ATOM 44 C GLN A 8 15.629 0.511 -0.418 1.00 0.00 C ATOM 45 O GLN A 8 16.586 0.953 0.217 1.00 0.00 O ATOM 46 CB GLN A 8 16.329 1.720 -2.492 1.00 0.00 C ATOM 47 CG GLN A 8 17.258 0.614 -2.971 1.00 0.00 C ATOM 48 CD GLN A 8 18.500 1.148 -3.655 1.00 0.00 C ATOM 49 OE1 GLN A 8 18.485 2.225 -4.252 1.00 0.00 O ATOM 50 NE2 GLN A 8 19.577 0.387 -3.586 1.00 0.00 N ATOM 0 H GLN A 8 14.716 3.192 -1.129 1.00 0.00 H new ATOM 0 HA GLN A 8 14.570 0.492 -2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.960 2.271 -3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.899 2.423 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.553 -0.001 -2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.718 -0.034 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 8 19.544 -0.498 -3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 8 20.441 0.684 -4.038 1.00 0.00 H new ATOM 59 N LEU A 9 14.962 -0.574 -0.055 1.00 0.00 N ATOM 60 CA LEU A 9 15.435 -1.440 1.014 1.00 0.00 C ATOM 61 C LEU A 9 15.593 -2.859 0.488 1.00 0.00 C ATOM 62 O LEU A 9 14.639 -3.633 0.479 1.00 0.00 O ATOM 63 CB LEU A 9 14.473 -1.432 2.207 1.00 0.00 C ATOM 64 CG LEU A 9 14.390 -0.111 2.978 1.00 0.00 C ATOM 65 CD1 LEU A 9 13.345 -0.204 4.077 1.00 0.00 C ATOM 66 CD2 LEU A 9 15.748 0.260 3.562 1.00 0.00 C ATOM 0 H LEU A 9 14.089 -0.876 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 9 16.399 -1.063 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.476 -1.687 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.774 -2.218 2.899 1.00 0.00 H new ATOM 0 HG LEU A 9 14.093 0.674 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.298 0.742 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.372 -0.419 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.615 -1.002 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.666 1.201 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.078 -0.524 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 9 16.473 0.369 2.756 1.00 0.00 H new ATOM 78 N GLY A 10 16.789 -3.187 0.029 1.00 0.00 N ATOM 79 CA GLY A 10 17.050 -4.531 -0.455 1.00 0.00 C ATOM 80 C GLY A 10 18.199 -5.192 0.281 1.00 0.00 C ATOM 81 O GLY A 10 19.289 -5.325 -0.274 1.00 0.00 O ATOM 0 H GLY A 10 17.585 -2.551 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.151 -5.137 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.277 -4.494 -1.521 1.00 0.00 H new ATOM 85 N PRO A 11 17.990 -5.605 1.542 1.00 0.00 N ATOM 86 CA PRO A 11 19.024 -6.235 2.356 1.00 0.00 C ATOM 87 C PRO A 11 19.150 -7.733 2.086 1.00 0.00 C ATOM 88 O PRO A 11 20.185 -8.206 1.617 1.00 0.00 O ATOM 89 CB PRO A 11 18.548 -5.996 3.801 1.00 0.00 C ATOM 90 CG PRO A 11 17.231 -5.285 3.699 1.00 0.00 C ATOM 91 CD PRO A 11 16.741 -5.484 2.292 1.00 0.00 C ATOM 0 HA PRO A 11 20.009 -5.820 2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.440 -6.940 4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 11 19.271 -5.397 4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.517 -5.687 4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.345 -4.224 3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.123 -6.377 2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.140 -4.643 1.948 1.00 0.00 H new ATOM 99 N ILE A 12 18.087 -8.472 2.376 1.00 0.00 N ATOM 100 CA ILE A 12 18.095 -9.919 2.234 1.00 0.00 C ATOM 101 C ILE A 12 17.413 -10.309 0.912 1.00 0.00 C ATOM 102 O ILE A 12 16.619 -9.540 0.367 1.00 0.00 O ATOM 103 CB ILE A 12 17.404 -10.585 3.458 1.00 0.00 C ATOM 104 CG1 ILE A 12 17.903 -12.015 3.662 1.00 0.00 C ATOM 105 CG2 ILE A 12 15.893 -10.554 3.326 1.00 0.00 C ATOM 106 CD1 ILE A 12 17.405 -12.652 4.942 1.00 0.00 C ATOM 0 H ILE A 12 17.204 -8.088 2.713 1.00 0.00 H new ATOM 0 HA ILE A 12 19.123 -10.280 2.205 1.00 0.00 H new ATOM 0 HB ILE A 12 17.672 -10.004 4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 12 17.588 -12.625 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 12 18.993 -12.014 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 12 15.442 -11.027 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 12 15.555 -9.520 3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 12 15.595 -11.092 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 12 17.798 -13.665 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 12 17.742 -12.064 5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.316 -12.685 4.932 1.00 0.00 H new ATOM 118 N HIS A 13 17.765 -11.474 0.375 1.00 0.00 N ATOM 119 CA HIS A 13 17.299 -11.883 -0.956 1.00 0.00 C ATOM 120 C HIS A 13 15.993 -12.711 -0.989 1.00 0.00 C ATOM 121 O HIS A 13 15.395 -12.809 -2.062 1.00 0.00 O ATOM 122 CB HIS A 13 18.405 -12.622 -1.704 1.00 0.00 C ATOM 123 CG HIS A 13 19.393 -11.700 -2.349 1.00 0.00 C ATOM 124 ND1 HIS A 13 19.504 -11.555 -3.716 1.00 0.00 N ATOM 125 CD2 HIS A 13 20.312 -10.868 -1.809 1.00 0.00 C ATOM 126 CE1 HIS A 13 20.448 -10.674 -3.987 1.00 0.00 C ATOM 127 NE2 HIS A 13 20.951 -10.241 -2.849 1.00 0.00 N ATOM 0 H HIS A 13 18.370 -12.153 0.836 1.00 0.00 H new ATOM 0 HA HIS A 13 17.049 -10.947 -1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.929 -13.279 -1.010 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.957 -13.258 -2.468 1.00 0.00 H new ATOM 0 HD2 HIS A 13 20.507 -10.724 -0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 13 20.756 -10.361 -4.974 1.00 0.00 H new ATOM 0 HE2 HIS A 13 21.696 -9.550 -2.756 1.00 0.00 H new ATOM 136 N PRO A 14 15.559 -13.382 0.116 1.00 0.00 N ATOM 137 CA PRO A 14 14.228 -14.012 0.211 1.00 0.00 C ATOM 138 C PRO A 14 13.077 -13.193 -0.412 1.00 0.00 C ATOM 139 O PRO A 14 13.253 -12.037 -0.799 1.00 0.00 O ATOM 140 CB PRO A 14 13.999 -14.125 1.724 1.00 0.00 C ATOM 141 CG PRO A 14 15.325 -13.959 2.382 1.00 0.00 C ATOM 142 CD PRO A 14 16.348 -13.696 1.311 1.00 0.00 C ATOM 0 HA PRO A 14 14.220 -14.952 -0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.301 -13.361 2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.562 -15.091 1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.297 -13.133 3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.585 -14.855 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.003 -12.868 1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.985 -14.566 1.149 1.00 0.00 H new ATOM 150 N PRO A 15 11.871 -13.789 -0.508 1.00 0.00 N ATOM 151 CA PRO A 15 10.672 -13.106 -1.023 1.00 0.00 C ATOM 152 C PRO A 15 10.429 -11.729 -0.386 1.00 0.00 C ATOM 153 O PRO A 15 10.874 -11.453 0.731 1.00 0.00 O ATOM 154 CB PRO A 15 9.544 -14.071 -0.653 1.00 0.00 C ATOM 155 CG PRO A 15 10.186 -15.410 -0.656 1.00 0.00 C ATOM 156 CD PRO A 15 11.585 -15.195 -0.155 1.00 0.00 C ATOM 0 HA PRO A 15 10.758 -12.896 -2.089 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.124 -13.834 0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.727 -14.021 -1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.644 -16.105 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.191 -15.839 -1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.655 -15.360 0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.290 -15.878 -0.629 1.00 0.00 H new ATOM 164 N PRO A 16 9.691 -10.853 -1.099 1.00 0.00 N ATOM 165 CA PRO A 16 9.444 -9.453 -0.696 1.00 0.00 C ATOM 166 C PRO A 16 8.624 -9.301 0.581 1.00 0.00 C ATOM 167 O PRO A 16 8.168 -8.204 0.902 1.00 0.00 O ATOM 168 CB PRO A 16 8.651 -8.877 -1.869 1.00 0.00 C ATOM 169 CG PRO A 16 8.041 -10.060 -2.532 1.00 0.00 C ATOM 170 CD PRO A 16 9.040 -11.165 -2.381 1.00 0.00 C ATOM 0 HA PRO A 16 10.388 -8.953 -0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.888 -8.179 -1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.299 -8.330 -2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.091 -10.324 -2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.836 -9.858 -3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.559 -12.143 -2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.755 -11.177 -3.204 1.00 0.00 H new ATOM 178 N ARG A 17 8.431 -10.398 1.297 1.00 0.00 N ATOM 179 CA ARG A 17 7.680 -10.391 2.543 1.00 0.00 C ATOM 180 C ARG A 17 8.375 -9.507 3.575 1.00 0.00 C ATOM 181 O ARG A 17 7.750 -8.996 4.502 1.00 0.00 O ATOM 182 CB ARG A 17 7.556 -11.824 3.073 1.00 0.00 C ATOM 183 CG ARG A 17 8.887 -12.418 3.497 1.00 0.00 C ATOM 184 CD ARG A 17 8.796 -13.913 3.758 1.00 0.00 C ATOM 185 NE ARG A 17 9.758 -14.342 4.772 1.00 0.00 N ATOM 186 CZ ARG A 17 10.323 -15.547 4.820 1.00 0.00 C ATOM 187 NH1 ARG A 17 10.042 -16.465 3.903 1.00 0.00 N ATOM 188 NH2 ARG A 17 11.167 -15.836 5.798 1.00 0.00 N ATOM 0 H ARG A 17 8.789 -11.315 1.032 1.00 0.00 H new ATOM 0 HA ARG A 17 6.684 -9.988 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.873 -11.833 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.113 -12.454 2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.629 -12.232 2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.236 -11.915 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.787 -14.165 4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.977 -14.456 2.831 1.00 0.00 H new ATOM 0 HE ARG A 17 10.015 -13.670 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.387 -16.251 3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.481 -17.384 3.950 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.381 -15.137 6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.603 -16.757 5.840 1.00 0.00 H new ATOM 202 N THR A 18 9.679 -9.331 3.394 1.00 0.00 N ATOM 203 CA THR A 18 10.478 -8.528 4.300 1.00 0.00 C ATOM 204 C THR A 18 11.753 -8.039 3.609 1.00 0.00 C ATOM 205 O THR A 18 12.460 -7.174 4.123 1.00 0.00 O ATOM 206 CB THR A 18 10.847 -9.350 5.556 1.00 0.00 C ATOM 207 OG1 THR A 18 11.523 -8.528 6.521 1.00 0.00 O ATOM 208 CG2 THR A 18 11.722 -10.540 5.176 1.00 0.00 C ATOM 0 H THR A 18 10.205 -9.739 2.621 1.00 0.00 H new ATOM 0 HA THR A 18 9.888 -7.661 4.598 1.00 0.00 H new ATOM 0 HB THR A 18 9.924 -9.721 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.051 -7.845 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.973 -11.108 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.182 -11.181 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.638 -10.183 4.705 1.00 0.00 H new ATOM 216 N SER A 19 12.035 -8.587 2.432 1.00 0.00 N ATOM 217 CA SER A 19 13.284 -8.305 1.744 1.00 0.00 C ATOM 218 C SER A 19 13.241 -6.971 1.019 1.00 0.00 C ATOM 219 O SER A 19 13.690 -5.962 1.560 1.00 0.00 O ATOM 220 CB SER A 19 13.611 -9.438 0.778 1.00 0.00 C ATOM 221 OG SER A 19 13.522 -10.687 1.433 1.00 0.00 O ATOM 0 H SER A 19 11.415 -9.228 1.937 1.00 0.00 H new ATOM 0 HA SER A 19 14.074 -8.236 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.923 -9.414 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.615 -9.302 0.375 1.00 0.00 H new ATOM 0 HG SER A 19 12.661 -11.106 1.223 1.00 0.00 H new ATOM 227 N MET A 20 12.692 -6.960 -0.190 1.00 0.00 N ATOM 228 CA MET A 20 12.613 -5.739 -0.972 1.00 0.00 C ATOM 229 C MET A 20 11.530 -4.828 -0.415 1.00 0.00 C ATOM 230 O MET A 20 10.456 -4.673 -0.999 1.00 0.00 O ATOM 231 CB MET A 20 12.352 -6.041 -2.452 1.00 0.00 C ATOM 232 CG MET A 20 11.187 -6.983 -2.691 1.00 0.00 C ATOM 233 SD MET A 20 10.726 -7.104 -4.431 1.00 0.00 S ATOM 234 CE MET A 20 12.215 -7.817 -5.125 1.00 0.00 C ATOM 0 H MET A 20 12.297 -7.782 -0.646 1.00 0.00 H new ATOM 0 HA MET A 20 13.574 -5.230 -0.901 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.162 -5.104 -2.976 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.252 -6.474 -2.889 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.446 -7.974 -2.319 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.327 -6.642 -2.115 1.00 0.00 H new ATOM 0 HE1 MET A 20 12.018 -8.150 -6.144 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.007 -7.068 -5.134 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.527 -8.668 -4.519 1.00 0.00 H new ATOM 244 N THR A 21 11.821 -4.236 0.722 1.00 0.00 N ATOM 245 CA THR A 21 10.903 -3.324 1.353 1.00 0.00 C ATOM 246 C THR A 21 10.999 -1.980 0.665 1.00 0.00 C ATOM 247 O THR A 21 12.093 -1.474 0.417 1.00 0.00 O ATOM 248 CB THR A 21 11.220 -3.151 2.853 1.00 0.00 C ATOM 249 OG1 THR A 21 11.381 -4.434 3.474 1.00 0.00 O ATOM 250 CG2 THR A 21 10.110 -2.383 3.558 1.00 0.00 C ATOM 0 H THR A 21 12.695 -4.374 1.229 1.00 0.00 H new ATOM 0 HA THR A 21 9.896 -3.732 1.265 1.00 0.00 H new ATOM 0 HB THR A 21 12.147 -2.585 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.584 -4.314 4.425 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.357 -2.274 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.006 -1.397 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.171 -2.928 3.459 1.00 0.00 H new ATOM 258 N GLU A 22 9.870 -1.418 0.319 1.00 0.00 N ATOM 259 CA GLU A 22 9.871 -0.095 -0.248 1.00 0.00 C ATOM 260 C GLU A 22 9.642 0.894 0.877 1.00 0.00 C ATOM 261 O GLU A 22 8.608 0.850 1.542 1.00 0.00 O ATOM 262 CB GLU A 22 8.761 0.038 -1.295 1.00 0.00 C ATOM 263 CG GLU A 22 9.150 0.846 -2.521 1.00 0.00 C ATOM 264 CD GLU A 22 9.802 -0.004 -3.597 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.855 -0.618 -3.337 1.00 0.00 O ATOM 266 OE2 GLU A 22 9.243 -0.087 -4.710 1.00 0.00 O ATOM 0 H GLU A 22 8.950 -1.848 0.418 1.00 0.00 H new ATOM 0 HA GLU A 22 10.824 0.100 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.457 -0.959 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.892 0.503 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.262 1.327 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.835 1.640 -2.226 1.00 0.00 H new ATOM 273 N GLU A 23 10.613 1.759 1.120 1.00 0.00 N ATOM 274 CA GLU A 23 10.443 2.794 2.121 1.00 0.00 C ATOM 275 C GLU A 23 10.066 4.076 1.407 1.00 0.00 C ATOM 276 O GLU A 23 10.929 4.834 0.961 1.00 0.00 O ATOM 277 CB GLU A 23 11.746 2.972 2.909 1.00 0.00 C ATOM 278 CG GLU A 23 11.690 4.053 3.975 1.00 0.00 C ATOM 279 CD GLU A 23 13.037 4.282 4.627 1.00 0.00 C ATOM 280 OE1 GLU A 23 13.919 4.874 3.972 1.00 0.00 O ATOM 281 OE2 GLU A 23 13.217 3.876 5.793 1.00 0.00 O ATOM 0 H GLU A 23 11.515 1.765 0.644 1.00 0.00 H new ATOM 0 HA GLU A 23 9.659 2.523 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.003 2.024 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.549 3.208 2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.341 4.984 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.962 3.773 4.737 1.00 0.00 H new ATOM 288 N TYR A 24 8.782 4.353 1.351 1.00 0.00 N ATOM 289 CA TYR A 24 8.303 5.396 0.475 1.00 0.00 C ATOM 290 C TYR A 24 8.205 6.725 1.198 1.00 0.00 C ATOM 291 O TYR A 24 7.452 6.876 2.160 1.00 0.00 O ATOM 292 CB TYR A 24 6.963 5.005 -0.151 1.00 0.00 C ATOM 293 CG TYR A 24 6.982 5.122 -1.659 1.00 0.00 C ATOM 294 CD1 TYR A 24 7.063 6.363 -2.271 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.948 3.992 -2.467 1.00 0.00 C ATOM 296 CE1 TYR A 24 7.105 6.479 -3.645 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.995 4.100 -3.847 1.00 0.00 C ATOM 298 CZ TYR A 24 7.073 5.347 -4.429 1.00 0.00 C ATOM 299 OH TYR A 24 7.126 5.468 -5.801 1.00 0.00 O ATOM 0 H TYR A 24 8.061 3.878 1.894 1.00 0.00 H new ATOM 0 HA TYR A 24 9.029 5.517 -0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.718 3.981 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.176 5.643 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.094 7.254 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.884 3.015 -2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.163 7.455 -4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.971 3.213 -4.463 1.00 0.00 H new ATOM 0 HH TYR A 24 6.539 4.799 -6.211 1.00 0.00 H new ATOM 309 N ARG A 25 9.008 7.672 0.734 1.00 0.00 N ATOM 310 CA ARG A 25 8.998 9.022 1.261 1.00 0.00 C ATOM 311 C ARG A 25 7.870 9.811 0.633 1.00 0.00 C ATOM 312 O ARG A 25 7.952 10.238 -0.522 1.00 0.00 O ATOM 313 CB ARG A 25 10.340 9.689 0.991 1.00 0.00 C ATOM 314 CG ARG A 25 11.459 9.058 1.786 1.00 0.00 C ATOM 315 CD ARG A 25 12.824 9.372 1.209 1.00 0.00 C ATOM 316 NE ARG A 25 13.898 8.934 2.104 1.00 0.00 N ATOM 317 CZ ARG A 25 14.067 7.678 2.540 1.00 0.00 C ATOM 318 NH1 ARG A 25 13.264 6.698 2.139 1.00 0.00 N ATOM 319 NH2 ARG A 25 15.047 7.392 3.384 1.00 0.00 N ATOM 0 H ARG A 25 9.682 7.523 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 25 8.837 8.990 2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.570 9.623 -0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.274 10.749 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.413 9.411 2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.318 7.977 1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.933 8.882 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.909 10.445 1.035 1.00 0.00 H new ATOM 0 HE ARG A 25 14.567 9.637 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.504 6.896 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.408 5.748 2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.676 8.129 3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.173 6.435 3.714 1.00 0.00 H new ATOM 333 N VAL A 26 6.816 9.978 1.398 1.00 0.00 N ATOM 334 CA VAL A 26 5.613 10.613 0.910 1.00 0.00 C ATOM 335 C VAL A 26 5.263 11.837 1.752 1.00 0.00 C ATOM 336 O VAL A 26 5.284 11.780 2.984 1.00 0.00 O ATOM 337 CB VAL A 26 4.440 9.603 0.891 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.453 8.738 2.138 1.00 0.00 C ATOM 339 CG2 VAL A 26 3.101 10.308 0.759 1.00 0.00 C ATOM 0 H VAL A 26 6.768 9.679 2.372 1.00 0.00 H new ATOM 0 HA VAL A 26 5.793 10.950 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 26 4.575 8.964 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.620 8.036 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.391 8.185 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.357 9.370 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.300 9.569 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.961 10.984 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.080 10.878 -0.170 1.00 0.00 H new ATOM 349 N PRO A 27 4.972 12.966 1.083 1.00 0.00 N ATOM 350 CA PRO A 27 4.524 14.190 1.751 1.00 0.00 C ATOM 351 C PRO A 27 3.196 13.960 2.452 1.00 0.00 C ATOM 352 O PRO A 27 2.285 13.346 1.901 1.00 0.00 O ATOM 353 CB PRO A 27 4.347 15.191 0.602 1.00 0.00 C ATOM 354 CG PRO A 27 5.110 14.620 -0.542 1.00 0.00 C ATOM 355 CD PRO A 27 5.051 13.132 -0.374 1.00 0.00 C ATOM 0 HA PRO A 27 5.224 14.533 2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.294 15.316 0.349 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.728 16.175 0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.673 14.923 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.141 14.973 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.184 12.703 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.933 12.644 -0.788 1.00 0.00 H new ATOM 363 N ASP A 28 3.116 14.471 3.683 1.00 0.00 N ATOM 364 CA ASP A 28 2.019 14.161 4.607 1.00 0.00 C ATOM 365 C ASP A 28 0.633 14.376 3.997 1.00 0.00 C ATOM 366 O ASP A 28 -0.296 13.610 4.274 1.00 0.00 O ATOM 367 CB ASP A 28 2.152 14.991 5.882 1.00 0.00 C ATOM 368 CG ASP A 28 1.058 14.669 6.881 1.00 0.00 C ATOM 369 OD1 ASP A 28 1.216 13.690 7.638 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.030 15.385 6.908 1.00 0.00 O ATOM 0 H ASP A 28 3.810 15.112 4.069 1.00 0.00 H new ATOM 0 HA ASP A 28 2.104 13.099 4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.125 14.805 6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.114 16.051 5.631 1.00 0.00 H new ATOM 375 N GLY A 29 0.494 15.409 3.173 1.00 0.00 N ATOM 376 CA GLY A 29 -0.782 15.685 2.534 1.00 0.00 C ATOM 377 C GLY A 29 -1.182 14.595 1.557 1.00 0.00 C ATOM 378 O GLY A 29 -2.362 14.253 1.425 1.00 0.00 O ATOM 0 H GLY A 29 1.242 16.061 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.554 15.788 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.725 16.638 2.009 1.00 0.00 H new ATOM 382 N MET A 30 -0.189 14.010 0.901 1.00 0.00 N ATOM 383 CA MET A 30 -0.441 12.963 -0.072 1.00 0.00 C ATOM 384 C MET A 30 -0.718 11.654 0.651 1.00 0.00 C ATOM 385 O MET A 30 -1.206 10.695 0.065 1.00 0.00 O ATOM 386 CB MET A 30 0.746 12.801 -1.028 1.00 0.00 C ATOM 387 CG MET A 30 1.122 14.078 -1.765 1.00 0.00 C ATOM 388 SD MET A 30 -0.273 14.840 -2.620 1.00 0.00 S ATOM 389 CE MET A 30 -0.724 13.545 -3.770 1.00 0.00 C ATOM 0 H MET A 30 0.796 14.244 1.027 1.00 0.00 H new ATOM 0 HA MET A 30 -1.312 13.242 -0.666 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.610 12.451 -0.463 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.509 12.028 -1.759 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.538 14.792 -1.054 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.906 13.855 -2.489 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.167 13.988 -4.662 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.166 12.980 -4.049 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.446 12.876 -3.300 1.00 0.00 H new ATOM 399 N VAL A 31 -0.413 11.638 1.941 1.00 0.00 N ATOM 400 CA VAL A 31 -0.750 10.510 2.791 1.00 0.00 C ATOM 401 C VAL A 31 -2.241 10.519 3.075 1.00 0.00 C ATOM 402 O VAL A 31 -2.897 9.482 3.063 1.00 0.00 O ATOM 403 CB VAL A 31 0.019 10.552 4.119 1.00 0.00 C ATOM 404 CG1 VAL A 31 -0.240 9.295 4.939 1.00 0.00 C ATOM 405 CG2 VAL A 31 1.499 10.737 3.858 1.00 0.00 C ATOM 0 H VAL A 31 0.069 12.398 2.421 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.469 9.597 2.265 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.338 11.402 4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.316 9.350 5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.305 9.214 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.083 8.420 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.035 10.765 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.869 9.906 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.660 11.673 3.322 1.00 0.00 H new ATOM 415 N GLY A 32 -2.777 11.705 3.316 1.00 0.00 N ATOM 416 CA GLY A 32 -4.210 11.836 3.474 1.00 0.00 C ATOM 417 C GLY A 32 -4.938 11.467 2.199 1.00 0.00 C ATOM 418 O GLY A 32 -6.081 11.012 2.229 1.00 0.00 O ATOM 0 H GLY A 32 -2.250 12.574 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.549 11.195 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.456 12.861 3.752 1.00 0.00 H new ATOM 422 N LEU A 33 -4.268 11.650 1.071 1.00 0.00 N ATOM 423 CA LEU A 33 -4.845 11.294 -0.216 1.00 0.00 C ATOM 424 C LEU A 33 -4.606 9.821 -0.576 1.00 0.00 C ATOM 425 O LEU A 33 -5.378 9.244 -1.343 1.00 0.00 O ATOM 426 CB LEU A 33 -4.292 12.200 -1.317 1.00 0.00 C ATOM 427 CG LEU A 33 -4.629 13.685 -1.165 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.001 14.492 -2.291 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.137 13.887 -1.136 1.00 0.00 C ATOM 0 H LEU A 33 -3.327 12.042 1.021 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.922 11.438 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.208 12.090 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.673 11.853 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.217 14.039 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.251 15.546 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.918 14.371 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.383 14.139 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.360 14.948 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.571 13.518 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.561 13.339 -0.295 1.00 0.00 H new ATOM 441 N ILE A 34 -3.558 9.206 -0.026 1.00 0.00 N ATOM 442 CA ILE A 34 -3.283 7.800 -0.318 1.00 0.00 C ATOM 443 C ILE A 34 -4.284 6.917 0.420 1.00 0.00 C ATOM 444 O ILE A 34 -4.582 5.798 0.007 1.00 0.00 O ATOM 445 CB ILE A 34 -1.825 7.383 0.027 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.498 6.026 -0.596 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.595 7.323 1.528 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.697 5.980 -2.095 1.00 0.00 C ATOM 0 H ILE A 34 -2.897 9.650 0.612 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.394 7.664 -1.394 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.164 8.144 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.463 5.772 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.123 5.263 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.565 7.028 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.782 8.304 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.273 6.594 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.445 4.986 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.738 6.202 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.052 6.719 -2.571 1.00 0.00 H new ATOM 460 N ILE A 35 -4.814 7.441 1.513 1.00 0.00 N ATOM 461 CA ILE A 35 -5.912 6.791 2.204 1.00 0.00 C ATOM 462 C ILE A 35 -7.240 7.275 1.636 1.00 0.00 C ATOM 463 O ILE A 35 -8.290 6.670 1.870 1.00 0.00 O ATOM 464 CB ILE A 35 -5.871 7.047 3.717 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.685 8.538 4.012 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.772 6.219 4.352 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.520 8.863 5.482 1.00 0.00 C ATOM 0 H ILE A 35 -4.501 8.313 1.939 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.810 5.717 2.047 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.824 6.744 4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.810 8.898 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.545 9.084 3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.749 6.406 5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.963 5.161 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.812 6.493 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.394 9.939 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.405 8.537 6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.642 8.348 5.872 1.00 0.00 H new ATOM 479 N GLY A 36 -7.164 8.386 0.902 1.00 0.00 N ATOM 480 CA GLY A 36 -8.302 8.926 0.182 1.00 0.00 C ATOM 481 C GLY A 36 -9.422 9.390 1.082 1.00 0.00 C ATOM 482 O GLY A 36 -9.495 10.558 1.456 1.00 0.00 O ATOM 0 H GLY A 36 -6.309 8.932 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.969 9.763 -0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.685 8.165 -0.498 1.00 0.00 H new ATOM 486 N ARG A 37 -10.287 8.459 1.436 1.00 0.00 N ATOM 487 CA ARG A 37 -11.454 8.750 2.257 1.00 0.00 C ATOM 488 C ARG A 37 -11.076 8.851 3.731 1.00 0.00 C ATOM 489 O ARG A 37 -11.923 9.107 4.585 1.00 0.00 O ATOM 490 CB ARG A 37 -12.508 7.672 2.042 1.00 0.00 C ATOM 491 CG ARG A 37 -11.970 6.261 2.200 1.00 0.00 C ATOM 492 CD ARG A 37 -12.792 5.276 1.385 1.00 0.00 C ATOM 493 NE ARG A 37 -12.908 5.687 -0.018 1.00 0.00 N ATOM 494 CZ ARG A 37 -13.600 5.012 -0.938 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.190 3.864 -0.628 1.00 0.00 N ATOM 496 NH2 ARG A 37 -13.692 5.482 -2.173 1.00 0.00 N ATOM 0 H ARG A 37 -10.204 7.479 1.164 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.863 9.715 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.322 7.824 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.931 7.782 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.929 6.226 1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.989 5.975 3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.332 4.289 1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.787 5.187 1.820 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.431 6.541 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.116 3.492 0.319 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.717 3.354 -1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.234 6.359 -2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.221 4.967 -2.877 1.00 0.00 H new ATOM 510 N GLY A 38 -9.800 8.639 4.023 1.00 0.00 N ATOM 511 CA GLY A 38 -9.313 8.843 5.370 1.00 0.00 C ATOM 512 C GLY A 38 -8.693 7.606 5.987 1.00 0.00 C ATOM 513 O GLY A 38 -8.284 7.632 7.148 1.00 0.00 O ATOM 0 H GLY A 38 -9.096 8.330 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.574 9.644 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.138 9.177 5.999 1.00 0.00 H new ATOM 517 N GLY A 39 -8.614 6.518 5.229 1.00 0.00 N ATOM 518 CA GLY A 39 -7.946 5.338 5.740 1.00 0.00 C ATOM 519 C GLY A 39 -8.287 4.083 4.968 1.00 0.00 C ATOM 520 O GLY A 39 -7.393 3.352 4.545 1.00 0.00 O ATOM 0 H GLY A 39 -8.994 6.432 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.868 5.495 5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.217 5.199 6.787 1.00 0.00 H new ATOM 524 N GLU A 40 -9.581 3.856 4.766 1.00 0.00 N ATOM 525 CA GLU A 40 -10.088 2.637 4.131 1.00 0.00 C ATOM 526 C GLU A 40 -9.305 2.233 2.887 1.00 0.00 C ATOM 527 O GLU A 40 -8.993 1.058 2.713 1.00 0.00 O ATOM 528 CB GLU A 40 -11.548 2.825 3.733 1.00 0.00 C ATOM 529 CG GLU A 40 -12.154 1.610 3.055 1.00 0.00 C ATOM 530 CD GLU A 40 -13.449 1.936 2.352 1.00 0.00 C ATOM 531 OE1 GLU A 40 -14.452 2.205 3.042 1.00 0.00 O ATOM 532 OE2 GLU A 40 -13.461 1.950 1.102 1.00 0.00 O ATOM 0 H GLU A 40 -10.313 4.512 5.038 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.976 1.844 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.131 3.063 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.626 3.681 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.443 1.206 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.332 0.832 3.798 1.00 0.00 H new ATOM 539 N GLN A 41 -8.970 3.206 2.044 1.00 0.00 N ATOM 540 CA GLN A 41 -8.473 2.910 0.705 1.00 0.00 C ATOM 541 C GLN A 41 -7.213 2.054 0.749 1.00 0.00 C ATOM 542 O GLN A 41 -7.117 1.061 0.031 1.00 0.00 O ATOM 543 CB GLN A 41 -8.218 4.199 -0.084 1.00 0.00 C ATOM 544 CG GLN A 41 -8.234 4.000 -1.595 1.00 0.00 C ATOM 545 CD GLN A 41 -6.929 3.466 -2.159 1.00 0.00 C ATOM 546 OE1 GLN A 41 -6.926 2.726 -3.138 1.00 0.00 O ATOM 547 NE2 GLN A 41 -5.810 3.861 -1.572 1.00 0.00 N ATOM 0 H GLN A 41 -9.033 4.200 2.263 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.247 2.338 0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.974 4.936 0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.253 4.611 0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.039 3.311 -1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.463 4.952 -2.075 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.850 4.477 -0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.908 3.550 -1.932 1.00 0.00 H new ATOM 556 N ILE A 42 -6.259 2.416 1.597 1.00 0.00 N ATOM 557 CA ILE A 42 -5.020 1.660 1.670 1.00 0.00 C ATOM 558 C ILE A 42 -5.281 0.251 2.187 1.00 0.00 C ATOM 559 O ILE A 42 -4.943 -0.717 1.516 1.00 0.00 O ATOM 560 CB ILE A 42 -3.935 2.362 2.524 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.640 1.544 2.533 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.407 2.635 3.946 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.009 1.391 1.165 1.00 0.00 C ATOM 0 H ILE A 42 -6.318 3.213 2.231 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.629 1.601 0.654 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.738 3.328 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.924 2.020 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.848 0.555 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.612 3.128 4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.286 3.279 3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.662 1.693 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.097 0.801 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.707 0.887 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.769 2.375 0.763 1.00 0.00 H new ATOM 575 N ASN A 43 -5.928 0.143 3.351 1.00 0.00 N ATOM 576 CA ASN A 43 -6.183 -1.154 3.975 1.00 0.00 C ATOM 577 C ASN A 43 -6.938 -2.062 3.021 1.00 0.00 C ATOM 578 O ASN A 43 -6.622 -3.242 2.895 1.00 0.00 O ATOM 579 CB ASN A 43 -6.990 -1.008 5.271 1.00 0.00 C ATOM 580 CG ASN A 43 -6.332 -0.101 6.297 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.490 -0.536 7.078 1.00 0.00 O ATOM 582 ND2 ASN A 43 -6.736 1.160 6.321 1.00 0.00 N ATOM 0 H ASN A 43 -6.284 0.940 3.879 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.214 -1.593 4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.978 -0.615 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.137 -1.994 5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.345 1.808 7.005 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.438 1.483 5.655 1.00 0.00 H new ATOM 589 N LYS A 44 -7.919 -1.490 2.337 1.00 0.00 N ATOM 590 CA LYS A 44 -8.742 -2.232 1.395 1.00 0.00 C ATOM 591 C LYS A 44 -7.879 -2.859 0.302 1.00 0.00 C ATOM 592 O LYS A 44 -8.007 -4.043 0.010 1.00 0.00 O ATOM 593 CB LYS A 44 -9.802 -1.303 0.787 1.00 0.00 C ATOM 594 CG LYS A 44 -10.801 -2.005 -0.120 1.00 0.00 C ATOM 595 CD LYS A 44 -11.983 -1.100 -0.441 1.00 0.00 C ATOM 596 CE LYS A 44 -11.538 0.183 -1.123 1.00 0.00 C ATOM 597 NZ LYS A 44 -12.668 1.120 -1.343 1.00 0.00 N ATOM 0 H LYS A 44 -8.165 -0.504 2.419 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.246 -3.039 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.345 -0.812 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.300 -0.520 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.308 -2.306 -1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.157 -2.915 0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.684 -1.631 -1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.516 -0.858 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.776 0.671 -0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.076 -0.058 -2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.362 1.891 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.461 0.610 -1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.974 1.516 -0.431 1.00 0.00 H new ATOM 611 N ILE A 45 -6.980 -2.071 -0.272 1.00 0.00 N ATOM 612 CA ILE A 45 -6.145 -2.543 -1.374 1.00 0.00 C ATOM 613 C ILE A 45 -5.023 -3.468 -0.887 1.00 0.00 C ATOM 614 O ILE A 45 -4.788 -4.528 -1.477 1.00 0.00 O ATOM 615 CB ILE A 45 -5.556 -1.355 -2.187 1.00 0.00 C ATOM 616 CG1 ILE A 45 -6.565 -0.859 -3.234 1.00 0.00 C ATOM 617 CG2 ILE A 45 -4.247 -1.735 -2.869 1.00 0.00 C ATOM 618 CD1 ILE A 45 -7.862 -0.335 -2.659 1.00 0.00 C ATOM 0 H ILE A 45 -6.809 -1.104 0.004 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.791 -3.123 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.350 -0.551 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.099 -0.069 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.790 -1.677 -3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.866 -0.880 -3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.517 -2.031 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.421 -2.566 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.513 -0.007 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.356 -1.126 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.653 0.506 -1.998 1.00 0.00 H new ATOM 630 N GLN A 46 -4.338 -3.086 0.189 1.00 0.00 N ATOM 631 CA GLN A 46 -3.211 -3.877 0.675 1.00 0.00 C ATOM 632 C GLN A 46 -3.672 -5.213 1.259 1.00 0.00 C ATOM 633 O GLN A 46 -3.077 -6.252 0.977 1.00 0.00 O ATOM 634 CB GLN A 46 -2.350 -3.108 1.695 1.00 0.00 C ATOM 635 CG GLN A 46 -3.116 -2.433 2.822 1.00 0.00 C ATOM 636 CD GLN A 46 -2.409 -2.542 4.163 1.00 0.00 C ATOM 637 OE1 GLN A 46 -1.688 -3.506 4.426 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.610 -1.549 5.021 1.00 0.00 N ATOM 0 H GLN A 46 -4.539 -2.247 0.733 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.583 -4.081 -0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.631 -3.800 2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.778 -2.348 1.162 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.261 -1.381 2.577 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.106 -2.881 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.214 -0.768 4.765 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.160 -1.567 5.936 1.00 0.00 H new ATOM 647 N GLN A 47 -4.746 -5.196 2.041 1.00 0.00 N ATOM 648 CA GLN A 47 -5.239 -6.414 2.675 1.00 0.00 C ATOM 649 C GLN A 47 -5.836 -7.352 1.632 1.00 0.00 C ATOM 650 O GLN A 47 -5.695 -8.573 1.726 1.00 0.00 O ATOM 651 CB GLN A 47 -6.288 -6.080 3.738 1.00 0.00 C ATOM 652 CG GLN A 47 -6.686 -7.265 4.601 1.00 0.00 C ATOM 653 CD GLN A 47 -5.547 -7.752 5.476 1.00 0.00 C ATOM 654 OE1 GLN A 47 -4.749 -8.601 5.075 1.00 0.00 O ATOM 655 NE2 GLN A 47 -5.472 -7.220 6.683 1.00 0.00 N ATOM 0 H GLN A 47 -5.289 -4.358 2.250 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.398 -6.912 3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.902 -5.288 4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.177 -5.686 3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.530 -6.985 5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.023 -8.080 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.154 -6.520 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.732 -7.510 7.323 1.00 0.00 H new ATOM 664 N ASP A 48 -6.495 -6.771 0.635 1.00 0.00 N ATOM 665 CA ASP A 48 -7.097 -7.539 -0.451 1.00 0.00 C ATOM 666 C ASP A 48 -6.039 -8.320 -1.217 1.00 0.00 C ATOM 667 O ASP A 48 -6.175 -9.524 -1.441 1.00 0.00 O ATOM 668 CB ASP A 48 -7.825 -6.598 -1.405 1.00 0.00 C ATOM 669 CG ASP A 48 -8.459 -7.309 -2.584 1.00 0.00 C ATOM 670 OD1 ASP A 48 -7.770 -7.538 -3.599 1.00 0.00 O ATOM 671 OD2 ASP A 48 -9.664 -7.623 -2.512 1.00 0.00 O ATOM 0 H ASP A 48 -6.627 -5.763 0.556 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.805 -8.246 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.598 -6.062 -0.855 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.122 -5.852 -1.775 1.00 0.00 H new ATOM 676 N SER A 49 -4.982 -7.624 -1.610 1.00 0.00 N ATOM 677 CA SER A 49 -3.921 -8.221 -2.404 1.00 0.00 C ATOM 678 C SER A 49 -3.062 -9.170 -1.569 1.00 0.00 C ATOM 679 O SER A 49 -2.557 -10.172 -2.076 1.00 0.00 O ATOM 680 CB SER A 49 -3.052 -7.125 -3.019 1.00 0.00 C ATOM 681 OG SER A 49 -2.630 -6.194 -2.035 1.00 0.00 O ATOM 0 H SER A 49 -4.837 -6.639 -1.389 1.00 0.00 H new ATOM 0 HA SER A 49 -4.383 -8.806 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.181 -7.573 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.612 -6.607 -3.798 1.00 0.00 H new ATOM 0 HG SER A 49 -3.337 -5.532 -1.887 1.00 0.00 H new ATOM 687 N GLY A 50 -2.897 -8.847 -0.291 1.00 0.00 N ATOM 688 CA GLY A 50 -2.071 -9.661 0.580 1.00 0.00 C ATOM 689 C GLY A 50 -0.779 -8.962 0.935 1.00 0.00 C ATOM 690 O GLY A 50 0.130 -9.559 1.515 1.00 0.00 O ATOM 0 H GLY A 50 -3.321 -8.035 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.622 -9.894 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.850 -10.609 0.090 1.00 0.00 H new ATOM 694 N CYS A 51 -0.697 -7.694 0.567 1.00 0.00 N ATOM 695 CA CYS A 51 0.472 -6.884 0.851 1.00 0.00 C ATOM 696 C CYS A 51 0.435 -6.397 2.297 1.00 0.00 C ATOM 697 O CYS A 51 -0.635 -6.254 2.891 1.00 0.00 O ATOM 698 CB CYS A 51 0.527 -5.694 -0.109 1.00 0.00 C ATOM 699 SG CYS A 51 2.108 -4.818 -0.120 1.00 0.00 S ATOM 0 H CYS A 51 -1.436 -7.201 0.066 1.00 0.00 H new ATOM 0 HA CYS A 51 1.367 -7.490 0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.313 -6.046 -1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.262 -4.991 0.157 1.00 0.00 H new ATOM 0 HG CYS A 51 3.007 -5.537 0.485 1.00 0.00 H new ATOM 705 N LYS A 52 1.611 -6.163 2.850 1.00 0.00 N ATOM 706 CA LYS A 52 1.758 -5.697 4.219 1.00 0.00 C ATOM 707 C LYS A 52 2.217 -4.247 4.199 1.00 0.00 C ATOM 708 O LYS A 52 3.419 -3.963 4.228 1.00 0.00 O ATOM 709 CB LYS A 52 2.795 -6.545 4.968 1.00 0.00 C ATOM 710 CG LYS A 52 2.790 -8.016 4.586 1.00 0.00 C ATOM 711 CD LYS A 52 1.487 -8.701 4.956 1.00 0.00 C ATOM 712 CE LYS A 52 1.484 -10.145 4.480 1.00 0.00 C ATOM 713 NZ LYS A 52 0.258 -10.874 4.895 1.00 0.00 N ATOM 0 H LYS A 52 2.497 -6.291 2.360 1.00 0.00 H new ATOM 0 HA LYS A 52 0.799 -5.785 4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.787 -6.136 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.613 -6.459 6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.956 -8.111 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.618 -8.521 5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.348 -8.669 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.649 -8.164 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.567 -10.167 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.360 -10.658 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.302 -11.853 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.191 -10.878 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.578 -10.402 4.496 1.00 0.00 H new ATOM 727 N VAL A 53 1.267 -3.336 4.121 1.00 0.00 N ATOM 728 CA VAL A 53 1.580 -1.924 3.991 1.00 0.00 C ATOM 729 C VAL A 53 1.371 -1.198 5.310 1.00 0.00 C ATOM 730 O VAL A 53 0.243 -1.047 5.781 1.00 0.00 O ATOM 731 CB VAL A 53 0.716 -1.267 2.899 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.103 0.187 2.694 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.842 -2.032 1.598 1.00 0.00 C ATOM 0 H VAL A 53 0.269 -3.548 4.145 1.00 0.00 H new ATOM 0 HA VAL A 53 2.629 -1.846 3.706 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.323 -1.297 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.476 0.624 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.963 0.736 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.149 0.246 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.226 -1.556 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.883 -2.032 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.508 -3.059 1.746 1.00 0.00 H new ATOM 743 N GLN A 54 2.461 -0.747 5.904 1.00 0.00 N ATOM 744 CA GLN A 54 2.385 -0.046 7.170 1.00 0.00 C ATOM 745 C GLN A 54 2.672 1.434 6.975 1.00 0.00 C ATOM 746 O GLN A 54 3.770 1.820 6.568 1.00 0.00 O ATOM 747 CB GLN A 54 3.361 -0.643 8.187 1.00 0.00 C ATOM 748 CG GLN A 54 3.142 -0.129 9.603 1.00 0.00 C ATOM 749 CD GLN A 54 1.772 -0.499 10.146 1.00 0.00 C ATOM 750 OE1 GLN A 54 1.600 -1.546 10.766 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.790 0.365 9.923 1.00 0.00 N ATOM 0 H GLN A 54 3.404 -0.853 5.531 1.00 0.00 H new ATOM 0 HA GLN A 54 1.373 -0.161 7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.262 -1.728 8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.381 -0.415 7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.912 -0.536 10.258 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.254 0.955 9.615 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.974 1.223 9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.149 0.171 10.271 1.00 0.00 H new ATOM 760 N ILE A 55 1.669 2.255 7.242 1.00 0.00 N ATOM 761 CA ILE A 55 1.822 3.698 7.171 1.00 0.00 C ATOM 762 C ILE A 55 2.457 4.213 8.460 1.00 0.00 C ATOM 763 O ILE A 55 1.759 4.454 9.443 1.00 0.00 O ATOM 764 CB ILE A 55 0.462 4.404 6.963 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.314 3.777 5.799 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.665 5.891 6.716 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.375 3.892 4.456 1.00 0.00 C ATOM 0 H ILE A 55 0.736 1.944 7.511 1.00 0.00 H new ATOM 0 HA ILE A 55 2.462 3.922 6.317 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.124 4.274 7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.484 2.723 6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.293 4.251 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.303 6.371 6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.167 6.337 7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.276 6.032 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.242 3.423 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.521 4.944 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.342 3.392 4.499 1.00 0.00 H new ATOM 779 N SER A 56 3.774 4.364 8.459 1.00 0.00 N ATOM 780 CA SER A 56 4.486 4.819 9.645 1.00 0.00 C ATOM 781 C SER A 56 4.368 6.329 9.800 1.00 0.00 C ATOM 782 O SER A 56 4.858 7.095 8.961 1.00 0.00 O ATOM 783 CB SER A 56 5.958 4.403 9.574 1.00 0.00 C ATOM 784 OG SER A 56 6.076 2.998 9.429 1.00 0.00 O ATOM 0 H SER A 56 4.370 4.179 7.652 1.00 0.00 H new ATOM 0 HA SER A 56 4.032 4.350 10.518 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.442 4.902 8.734 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.476 4.725 10.477 1.00 0.00 H new ATOM 0 HG SER A 56 7.024 2.752 9.384 1.00 0.00 H new ATOM 790 N PRO A 57 3.690 6.762 10.882 1.00 0.00 N ATOM 791 CA PRO A 57 3.438 8.172 11.169 1.00 0.00 C ATOM 792 C PRO A 57 4.687 8.880 11.666 1.00 0.00 C ATOM 793 O PRO A 57 4.957 10.023 11.298 1.00 0.00 O ATOM 794 CB PRO A 57 2.361 8.139 12.267 1.00 0.00 C ATOM 795 CG PRO A 57 1.954 6.709 12.405 1.00 0.00 C ATOM 796 CD PRO A 57 3.117 5.898 11.920 1.00 0.00 C ATOM 0 HA PRO A 57 3.128 8.720 10.280 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.752 8.525 13.208 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.509 8.762 11.996 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.717 6.469 13.442 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.060 6.500 11.817 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.831 5.693 12.718 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.802 4.935 11.519 1.00 0.00 H new ATOM 804 N ASP A 58 5.444 8.203 12.511 1.00 0.00 N ATOM 805 CA ASP A 58 6.717 8.729 12.959 1.00 0.00 C ATOM 806 C ASP A 58 7.823 8.118 12.123 1.00 0.00 C ATOM 807 O ASP A 58 8.487 7.172 12.538 1.00 0.00 O ATOM 808 CB ASP A 58 6.945 8.444 14.443 1.00 0.00 C ATOM 809 CG ASP A 58 8.121 9.224 14.998 1.00 0.00 C ATOM 810 OD1 ASP A 58 8.136 10.468 14.845 1.00 0.00 O ATOM 811 OD2 ASP A 58 9.021 8.613 15.609 1.00 0.00 O ATOM 0 H ASP A 58 5.199 7.292 12.898 1.00 0.00 H new ATOM 0 HA ASP A 58 6.717 9.812 12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.045 8.698 15.003 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.118 7.377 14.585 1.00 0.00 H new ATOM 816 N SER A 59 7.981 8.651 10.925 1.00 0.00 N ATOM 817 CA SER A 59 8.932 8.128 9.961 1.00 0.00 C ATOM 818 C SER A 59 10.368 8.206 10.470 1.00 0.00 C ATOM 819 O SER A 59 11.217 7.407 10.076 1.00 0.00 O ATOM 820 CB SER A 59 8.781 8.898 8.656 1.00 0.00 C ATOM 821 OG SER A 59 8.090 10.118 8.874 1.00 0.00 O ATOM 0 H SER A 59 7.454 9.459 10.593 1.00 0.00 H new ATOM 0 HA SER A 59 8.717 7.072 9.799 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.764 9.101 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.239 8.292 7.930 1.00 0.00 H new ATOM 0 HG SER A 59 8.679 10.749 9.339 1.00 0.00 H new ATOM 827 N GLY A 60 10.634 9.172 11.339 1.00 0.00 N ATOM 828 CA GLY A 60 11.956 9.307 11.915 1.00 0.00 C ATOM 829 C GLY A 60 12.945 9.911 10.942 1.00 0.00 C ATOM 830 O GLY A 60 13.335 11.069 11.080 1.00 0.00 O ATOM 0 H GLY A 60 9.956 9.865 11.655 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.900 9.931 12.807 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.314 8.328 12.233 1.00 0.00 H new ATOM 834 N GLY A 61 13.336 9.125 9.948 1.00 0.00 N ATOM 835 CA GLY A 61 14.239 9.604 8.923 1.00 0.00 C ATOM 836 C GLY A 61 13.558 10.588 7.999 1.00 0.00 C ATOM 837 O GLY A 61 14.211 11.300 7.239 1.00 0.00 O ATOM 0 H GLY A 61 13.040 8.156 9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.102 10.079 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.614 8.760 8.344 1.00 0.00 H new ATOM 841 N LEU A 62 12.236 10.630 8.077 1.00 0.00 N ATOM 842 CA LEU A 62 11.437 11.535 7.266 1.00 0.00 C ATOM 843 C LEU A 62 10.562 12.403 8.162 1.00 0.00 C ATOM 844 O LEU A 62 10.007 11.917 9.147 1.00 0.00 O ATOM 845 CB LEU A 62 10.550 10.754 6.280 1.00 0.00 C ATOM 846 CG LEU A 62 11.283 10.000 5.161 1.00 0.00 C ATOM 847 CD1 LEU A 62 12.410 10.849 4.598 1.00 0.00 C ATOM 848 CD2 LEU A 62 11.798 8.647 5.644 1.00 0.00 C ATOM 0 H LEU A 62 11.689 10.039 8.703 1.00 0.00 H new ATOM 0 HA LEU A 62 12.116 12.168 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.958 10.035 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.850 11.452 5.821 1.00 0.00 H new ATOM 0 HG LEU A 62 10.569 9.806 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.919 10.299 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.001 11.774 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.120 11.083 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.311 8.140 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.492 8.796 6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.959 8.037 5.979 1.00 0.00 H new ATOM 860 N PRO A 63 10.439 13.700 7.839 1.00 0.00 N ATOM 861 CA PRO A 63 9.573 14.629 8.574 1.00 0.00 C ATOM 862 C PRO A 63 8.130 14.538 8.092 1.00 0.00 C ATOM 863 O PRO A 63 7.213 15.113 8.683 1.00 0.00 O ATOM 864 CB PRO A 63 10.159 15.983 8.193 1.00 0.00 C ATOM 865 CG PRO A 63 10.579 15.785 6.780 1.00 0.00 C ATOM 866 CD PRO A 63 11.144 14.386 6.730 1.00 0.00 C ATOM 0 HA PRO A 63 9.545 14.432 9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.423 16.781 8.286 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.002 16.251 8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.735 15.894 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.325 16.522 6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.949 13.907 5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.224 14.382 6.875 1.00 0.00 H new ATOM 874 N GLU A 64 7.953 13.816 7.002 1.00 0.00 N ATOM 875 CA GLU A 64 6.674 13.726 6.325 1.00 0.00 C ATOM 876 C GLU A 64 5.958 12.422 6.663 1.00 0.00 C ATOM 877 O GLU A 64 5.261 12.337 7.676 1.00 0.00 O ATOM 878 CB GLU A 64 6.896 13.884 4.818 1.00 0.00 C ATOM 879 CG GLU A 64 8.261 13.384 4.354 1.00 0.00 C ATOM 880 CD GLU A 64 8.669 13.948 3.013 1.00 0.00 C ATOM 881 OE1 GLU A 64 7.911 14.762 2.450 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.758 13.589 2.522 1.00 0.00 O ATOM 0 H GLU A 64 8.695 13.274 6.560 1.00 0.00 H new ATOM 0 HA GLU A 64 6.024 14.530 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.117 13.340 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.792 14.936 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.012 13.650 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.243 12.296 4.294 1.00 0.00 H new ATOM 889 N ARG A 65 6.120 11.410 5.827 1.00 0.00 N ATOM 890 CA ARG A 65 5.565 10.102 6.109 1.00 0.00 C ATOM 891 C ARG A 65 6.430 9.017 5.487 1.00 0.00 C ATOM 892 O ARG A 65 7.050 9.236 4.444 1.00 0.00 O ATOM 893 CB ARG A 65 4.152 10.017 5.546 1.00 0.00 C ATOM 894 CG ARG A 65 3.335 8.866 6.098 1.00 0.00 C ATOM 895 CD ARG A 65 3.037 9.073 7.569 1.00 0.00 C ATOM 896 NE ARG A 65 2.229 10.270 7.812 1.00 0.00 N ATOM 897 CZ ARG A 65 1.103 10.277 8.526 1.00 0.00 C ATOM 898 NH1 ARG A 65 0.632 9.146 9.039 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.448 11.415 8.718 1.00 0.00 N ATOM 0 H ARG A 65 6.632 11.472 4.947 1.00 0.00 H new ATOM 0 HA ARG A 65 5.538 9.954 7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.632 10.952 5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.209 9.921 4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.401 8.778 5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.877 7.931 5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.513 8.199 7.957 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.975 9.153 8.119 1.00 0.00 H new ATOM 0 HE ARG A 65 2.547 11.152 7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.132 8.270 8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.230 9.153 9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.806 12.283 8.320 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.414 11.422 9.264 1.00 0.00 H new ATOM 913 N SER A 66 6.486 7.857 6.124 1.00 0.00 N ATOM 914 CA SER A 66 7.193 6.729 5.549 1.00 0.00 C ATOM 915 C SER A 66 6.254 5.541 5.408 1.00 0.00 C ATOM 916 O SER A 66 5.781 4.982 6.399 1.00 0.00 O ATOM 917 CB SER A 66 8.406 6.364 6.407 1.00 0.00 C ATOM 918 OG SER A 66 8.021 6.072 7.737 1.00 0.00 O ATOM 0 H SER A 66 6.054 7.675 7.030 1.00 0.00 H new ATOM 0 HA SER A 66 7.551 7.006 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.915 5.502 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.118 7.189 6.404 1.00 0.00 H new ATOM 0 HG SER A 66 8.724 5.546 8.173 1.00 0.00 H new ATOM 924 N VAL A 67 5.956 5.180 4.175 1.00 0.00 N ATOM 925 CA VAL A 67 5.087 4.051 3.910 1.00 0.00 C ATOM 926 C VAL A 67 5.921 2.829 3.588 1.00 0.00 C ATOM 927 O VAL A 67 6.654 2.815 2.599 1.00 0.00 O ATOM 928 CB VAL A 67 4.121 4.334 2.740 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.247 3.121 2.459 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.262 5.557 3.026 1.00 0.00 C ATOM 0 H VAL A 67 6.303 5.653 3.341 1.00 0.00 H new ATOM 0 HA VAL A 67 4.491 3.874 4.805 1.00 0.00 H new ATOM 0 HB VAL A 67 4.719 4.540 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.574 3.342 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.877 2.271 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.663 2.880 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.590 5.734 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.676 5.387 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.903 6.427 3.168 1.00 0.00 H new ATOM 940 N SER A 68 5.835 1.819 4.436 1.00 0.00 N ATOM 941 CA SER A 68 6.555 0.590 4.189 1.00 0.00 C ATOM 942 C SER A 68 5.747 -0.329 3.304 1.00 0.00 C ATOM 943 O SER A 68 4.563 -0.572 3.549 1.00 0.00 O ATOM 944 CB SER A 68 6.891 -0.142 5.477 1.00 0.00 C ATOM 945 OG SER A 68 7.829 0.578 6.260 1.00 0.00 O ATOM 0 H SER A 68 5.279 1.828 5.291 1.00 0.00 H new ATOM 0 HA SER A 68 7.486 0.865 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.980 -0.300 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.294 -1.127 5.241 1.00 0.00 H new ATOM 0 HG SER A 68 8.021 0.079 7.081 1.00 0.00 H new ATOM 951 N LEU A 69 6.396 -0.841 2.286 1.00 0.00 N ATOM 952 CA LEU A 69 5.753 -1.723 1.348 1.00 0.00 C ATOM 953 C LEU A 69 6.433 -3.081 1.306 1.00 0.00 C ATOM 954 O LEU A 69 7.606 -3.193 0.945 1.00 0.00 O ATOM 955 CB LEU A 69 5.756 -1.067 -0.012 1.00 0.00 C ATOM 956 CG LEU A 69 4.879 0.176 -0.092 1.00 0.00 C ATOM 957 CD1 LEU A 69 5.204 0.994 -1.326 1.00 0.00 C ATOM 958 CD2 LEU A 69 3.417 -0.229 -0.084 1.00 0.00 C ATOM 0 H LEU A 69 7.379 -0.658 2.087 1.00 0.00 H new ATOM 0 HA LEU A 69 4.725 -1.899 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.779 -0.797 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.417 -1.789 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 69 5.079 0.801 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.563 1.875 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.248 1.306 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.035 0.390 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.792 0.662 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.213 -0.871 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.194 -0.770 0.836 1.00 0.00 H new ATOM 970 N THR A 70 5.680 -4.101 1.690 1.00 0.00 N ATOM 971 CA THR A 70 6.192 -5.457 1.796 1.00 0.00 C ATOM 972 C THR A 70 5.074 -6.467 1.563 1.00 0.00 C ATOM 973 O THR A 70 3.916 -6.138 1.744 1.00 0.00 O ATOM 974 CB THR A 70 6.796 -5.694 3.183 1.00 0.00 C ATOM 975 OG1 THR A 70 6.464 -4.606 4.063 1.00 0.00 O ATOM 976 CG2 THR A 70 8.301 -5.855 3.088 1.00 0.00 C ATOM 0 H THR A 70 4.695 -4.010 1.937 1.00 0.00 H new ATOM 0 HA THR A 70 6.964 -5.586 1.037 1.00 0.00 H new ATOM 0 HB THR A 70 6.377 -6.614 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.490 -4.527 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.713 -6.023 4.083 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.536 -6.707 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.737 -4.951 2.662 1.00 0.00 H new ATOM 984 N GLY A 71 5.408 -7.684 1.154 1.00 0.00 N ATOM 985 CA GLY A 71 4.386 -8.704 0.990 1.00 0.00 C ATOM 986 C GLY A 71 4.750 -9.723 -0.066 1.00 0.00 C ATOM 987 O GLY A 71 5.923 -9.990 -0.293 1.00 0.00 O ATOM 0 H GLY A 71 6.358 -7.983 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.228 -9.212 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.442 -8.229 0.722 1.00 0.00 H new ATOM 991 N ALA A 72 3.749 -10.298 -0.709 1.00 0.00 N ATOM 992 CA ALA A 72 3.981 -11.243 -1.788 1.00 0.00 C ATOM 993 C ALA A 72 4.319 -10.485 -3.066 1.00 0.00 C ATOM 994 O ALA A 72 3.905 -9.340 -3.217 1.00 0.00 O ATOM 995 CB ALA A 72 2.758 -12.127 -1.986 1.00 0.00 C ATOM 0 H ALA A 72 2.765 -10.127 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 72 4.822 -11.887 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.945 -12.830 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.555 -12.678 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.897 -11.507 -2.235 1.00 0.00 H new ATOM 1001 N PRO A 73 5.090 -11.092 -3.984 1.00 0.00 N ATOM 1002 CA PRO A 73 5.552 -10.426 -5.214 1.00 0.00 C ATOM 1003 C PRO A 73 4.456 -9.624 -5.924 1.00 0.00 C ATOM 1004 O PRO A 73 4.643 -8.449 -6.247 1.00 0.00 O ATOM 1005 CB PRO A 73 6.006 -11.597 -6.083 1.00 0.00 C ATOM 1006 CG PRO A 73 6.465 -12.628 -5.112 1.00 0.00 C ATOM 1007 CD PRO A 73 5.588 -12.481 -3.894 1.00 0.00 C ATOM 0 HA PRO A 73 6.327 -9.689 -5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.191 -11.971 -6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.810 -11.302 -6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.377 -13.628 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.514 -12.481 -4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.769 -13.201 -3.901 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.149 -12.646 -2.974 1.00 0.00 H new ATOM 1015 N GLU A 74 3.311 -10.254 -6.138 1.00 0.00 N ATOM 1016 CA GLU A 74 2.201 -9.617 -6.833 1.00 0.00 C ATOM 1017 C GLU A 74 1.457 -8.658 -5.905 1.00 0.00 C ATOM 1018 O GLU A 74 0.964 -7.610 -6.331 1.00 0.00 O ATOM 1019 CB GLU A 74 1.254 -10.692 -7.365 1.00 0.00 C ATOM 1020 CG GLU A 74 0.057 -10.157 -8.124 1.00 0.00 C ATOM 1021 CD GLU A 74 -0.791 -11.274 -8.687 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -1.576 -11.867 -7.924 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -0.656 -11.580 -9.889 1.00 0.00 O ATOM 0 H GLU A 74 3.125 -11.211 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 74 2.591 -9.035 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.814 -11.360 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.898 -11.292 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.548 -9.539 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.398 -9.514 -8.936 1.00 0.00 H new ATOM 1030 N SER A 75 1.406 -9.011 -4.628 1.00 0.00 N ATOM 1031 CA SER A 75 0.697 -8.217 -3.642 1.00 0.00 C ATOM 1032 C SER A 75 1.425 -6.906 -3.385 1.00 0.00 C ATOM 1033 O SER A 75 0.806 -5.846 -3.282 1.00 0.00 O ATOM 1034 CB SER A 75 0.568 -9.015 -2.346 1.00 0.00 C ATOM 1035 OG SER A 75 0.031 -10.304 -2.598 1.00 0.00 O ATOM 0 H SER A 75 1.851 -9.848 -4.252 1.00 0.00 H new ATOM 0 HA SER A 75 -0.297 -7.983 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.546 -9.110 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.074 -8.479 -1.646 1.00 0.00 H new ATOM 0 HG SER A 75 -0.927 -10.227 -2.792 1.00 0.00 H new ATOM 1041 N VAL A 76 2.747 -6.983 -3.307 1.00 0.00 N ATOM 1042 CA VAL A 76 3.555 -5.818 -3.020 1.00 0.00 C ATOM 1043 C VAL A 76 3.508 -4.841 -4.190 1.00 0.00 C ATOM 1044 O VAL A 76 3.524 -3.634 -3.988 1.00 0.00 O ATOM 1045 CB VAL A 76 5.017 -6.206 -2.673 1.00 0.00 C ATOM 1046 CG1 VAL A 76 5.830 -6.559 -3.912 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.687 -5.101 -1.875 1.00 0.00 C ATOM 0 H VAL A 76 3.278 -7.844 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 76 3.137 -5.327 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 76 4.978 -7.104 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.846 -6.823 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.368 -7.405 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.859 -5.702 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.711 -5.391 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.695 -4.182 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.136 -4.936 -0.949 1.00 0.00 H new ATOM 1057 N GLN A 77 3.393 -5.365 -5.410 1.00 0.00 N ATOM 1058 CA GLN A 77 3.305 -4.513 -6.586 1.00 0.00 C ATOM 1059 C GLN A 77 1.985 -3.745 -6.578 1.00 0.00 C ATOM 1060 O GLN A 77 1.955 -2.557 -6.867 1.00 0.00 O ATOM 1061 CB GLN A 77 3.419 -5.334 -7.873 1.00 0.00 C ATOM 1062 CG GLN A 77 4.302 -4.695 -8.941 1.00 0.00 C ATOM 1063 CD GLN A 77 4.153 -3.184 -9.026 1.00 0.00 C ATOM 1064 OE1 GLN A 77 4.889 -2.439 -8.376 1.00 0.00 O ATOM 1065 NE2 GLN A 77 3.192 -2.719 -9.807 1.00 0.00 N ATOM 0 H GLN A 77 3.359 -6.366 -5.605 1.00 0.00 H new ATOM 0 HA GLN A 77 4.136 -3.808 -6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.817 -6.319 -7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.421 -5.486 -8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.344 -4.938 -8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.060 -5.131 -9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.602 -3.366 -10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.041 -1.713 -9.886 1.00 0.00 H new ATOM 1074 N LYS A 78 0.900 -4.428 -6.223 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.424 -3.803 -6.148 1.00 0.00 C ATOM 1076 C LYS A 78 -0.401 -2.592 -5.212 1.00 0.00 C ATOM 1077 O LYS A 78 -0.920 -1.516 -5.538 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.452 -4.826 -5.650 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.872 -4.285 -5.478 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.654 -4.261 -6.786 1.00 0.00 C ATOM 1081 CE LYS A 78 -3.407 -2.998 -7.598 1.00 0.00 C ATOM 1082 NZ LYS A 78 -4.206 -2.992 -8.853 1.00 0.00 N ATOM 0 H LYS A 78 0.909 -5.419 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.703 -3.462 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.480 -5.661 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.113 -5.223 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.405 -4.899 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.825 -3.276 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.381 -5.131 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.719 -4.345 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.662 -2.124 -6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.347 -2.921 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.014 -2.118 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.945 -3.814 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.218 -3.041 -8.620 1.00 0.00 H new ATOM 1096 N ALA A 79 0.222 -2.776 -4.058 1.00 0.00 N ATOM 1097 CA ALA A 79 0.315 -1.730 -3.056 1.00 0.00 C ATOM 1098 C ALA A 79 1.179 -0.571 -3.541 1.00 0.00 C ATOM 1099 O ALA A 79 0.875 0.593 -3.289 1.00 0.00 O ATOM 1100 CB ALA A 79 0.882 -2.305 -1.773 1.00 0.00 C ATOM 0 H ALA A 79 0.675 -3.651 -3.792 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.687 -1.342 -2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.951 -1.519 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.228 -3.098 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.875 -2.713 -1.964 1.00 0.00 H new ATOM 1106 N LYS A 80 2.231 -0.899 -4.277 1.00 0.00 N ATOM 1107 CA LYS A 80 3.204 0.101 -4.691 1.00 0.00 C ATOM 1108 C LYS A 80 2.688 0.811 -5.913 1.00 0.00 C ATOM 1109 O LYS A 80 3.097 1.915 -6.227 1.00 0.00 O ATOM 1110 CB LYS A 80 4.567 -0.532 -4.967 1.00 0.00 C ATOM 1111 CG LYS A 80 5.154 -1.223 -3.749 1.00 0.00 C ATOM 1112 CD LYS A 80 6.629 -1.532 -3.929 1.00 0.00 C ATOM 1113 CE LYS A 80 6.890 -2.428 -5.128 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.346 -2.541 -5.410 1.00 0.00 N ATOM 0 H LYS A 80 2.432 -1.846 -4.599 1.00 0.00 H new ATOM 0 HA LYS A 80 3.340 0.819 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.469 -1.255 -5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.257 0.239 -5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.020 -0.589 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.610 -2.148 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.181 -0.600 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.009 -2.014 -3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.475 -3.419 -4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.378 -2.027 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.486 -2.999 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.771 -1.592 -5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.800 -3.111 -4.668 1.00 0.00 H new ATOM 1128 N MET A 81 1.789 0.140 -6.592 1.00 0.00 N ATOM 1129 CA MET A 81 1.065 0.698 -7.704 1.00 0.00 C ATOM 1130 C MET A 81 0.258 1.905 -7.237 1.00 0.00 C ATOM 1131 O MET A 81 0.323 2.978 -7.831 1.00 0.00 O ATOM 1132 CB MET A 81 0.156 -0.389 -8.254 1.00 0.00 C ATOM 1133 CG MET A 81 -0.729 0.043 -9.389 1.00 0.00 C ATOM 1134 SD MET A 81 0.195 0.473 -10.873 1.00 0.00 S ATOM 1135 CE MET A 81 -1.136 0.963 -11.967 1.00 0.00 C ATOM 0 H MET A 81 1.537 -0.826 -6.382 1.00 0.00 H new ATOM 0 HA MET A 81 1.745 1.037 -8.485 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.772 -1.223 -8.590 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.471 -0.762 -7.445 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.429 -0.759 -9.623 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.322 0.902 -9.074 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.724 1.259 -12.932 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.820 0.126 -12.106 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.675 1.803 -11.530 1.00 0.00 H new ATOM 1145 N MET A 82 -0.489 1.720 -6.150 1.00 0.00 N ATOM 1146 CA MET A 82 -1.250 2.819 -5.560 1.00 0.00 C ATOM 1147 C MET A 82 -0.314 3.858 -4.949 1.00 0.00 C ATOM 1148 O MET A 82 -0.547 5.060 -5.063 1.00 0.00 O ATOM 1149 CB MET A 82 -2.222 2.307 -4.493 1.00 0.00 C ATOM 1150 CG MET A 82 -3.370 1.486 -5.057 1.00 0.00 C ATOM 1151 SD MET A 82 -4.308 2.375 -6.317 1.00 0.00 S ATOM 1152 CE MET A 82 -4.909 3.773 -5.372 1.00 0.00 C ATOM 0 H MET A 82 -0.583 0.828 -5.664 1.00 0.00 H new ATOM 0 HA MET A 82 -1.826 3.286 -6.359 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.672 1.700 -3.774 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.629 3.158 -3.947 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.976 0.564 -5.486 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.039 1.200 -4.246 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.954 3.957 -5.620 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.821 3.557 -4.307 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.318 4.656 -5.613 1.00 0.00 H new ATOM 1162 N LEU A 83 0.745 3.381 -4.311 1.00 0.00 N ATOM 1163 CA LEU A 83 1.716 4.253 -3.657 1.00 0.00 C ATOM 1164 C LEU A 83 2.398 5.162 -4.659 1.00 0.00 C ATOM 1165 O LEU A 83 2.307 6.382 -4.557 1.00 0.00 O ATOM 1166 CB LEU A 83 2.771 3.422 -2.913 1.00 0.00 C ATOM 1167 CG LEU A 83 2.651 3.403 -1.387 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.798 4.807 -0.825 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.326 2.793 -0.954 1.00 0.00 C ATOM 0 H LEU A 83 0.957 2.386 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 83 1.175 4.871 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.719 2.395 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.758 3.803 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 83 3.456 2.784 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.710 4.775 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.774 5.208 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.016 5.446 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.265 2.791 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.504 3.381 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.259 1.770 -1.323 1.00 0.00 H new ATOM 1181 N ASP A 84 3.065 4.557 -5.628 1.00 0.00 N ATOM 1182 CA ASP A 84 3.790 5.292 -6.654 1.00 0.00 C ATOM 1183 C ASP A 84 2.874 6.307 -7.311 1.00 0.00 C ATOM 1184 O ASP A 84 3.267 7.440 -7.553 1.00 0.00 O ATOM 1185 CB ASP A 84 4.335 4.325 -7.710 1.00 0.00 C ATOM 1186 CG ASP A 84 5.289 4.986 -8.685 1.00 0.00 C ATOM 1187 OD1 ASP A 84 4.825 5.613 -9.659 1.00 0.00 O ATOM 1188 OD2 ASP A 84 6.516 4.872 -8.482 1.00 0.00 O ATOM 0 H ASP A 84 3.120 3.543 -5.726 1.00 0.00 H new ATOM 0 HA ASP A 84 4.625 5.814 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.847 3.502 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.501 3.893 -8.263 1.00 0.00 H new ATOM 1193 N ASP A 85 1.639 5.890 -7.548 1.00 0.00 N ATOM 1194 CA ASP A 85 0.653 6.722 -8.218 1.00 0.00 C ATOM 1195 C ASP A 85 0.415 8.042 -7.480 1.00 0.00 C ATOM 1196 O ASP A 85 0.565 9.121 -8.057 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.661 5.950 -8.358 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.681 6.675 -9.215 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -1.680 6.464 -10.447 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.487 7.453 -8.668 1.00 0.00 O ATOM 0 H ASP A 85 1.294 4.968 -7.282 1.00 0.00 H new ATOM 0 HA ASP A 85 1.042 6.971 -9.205 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.457 4.972 -8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.083 5.777 -7.368 1.00 0.00 H new ATOM 1205 N ILE A 86 0.061 7.960 -6.203 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.277 9.154 -5.438 1.00 0.00 C ATOM 1207 C ILE A 86 0.968 9.881 -4.950 1.00 0.00 C ATOM 1208 O ILE A 86 1.025 11.113 -4.969 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.226 8.841 -4.252 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.645 8.613 -4.770 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -1.218 9.958 -3.215 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.838 7.273 -5.443 1.00 0.00 C ATOM 0 H ILE A 86 0.001 7.087 -5.679 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.810 9.816 -6.121 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.867 7.935 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.344 8.696 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.896 9.404 -5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.895 9.702 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.209 10.083 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.545 10.888 -3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.869 7.183 -5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.165 7.194 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.620 6.475 -4.734 1.00 0.00 H new ATOM 1224 N VAL A 87 1.976 9.137 -4.537 1.00 0.00 N ATOM 1225 CA VAL A 87 3.207 9.759 -4.096 1.00 0.00 C ATOM 1226 C VAL A 87 3.803 10.576 -5.230 1.00 0.00 C ATOM 1227 O VAL A 87 4.089 11.752 -5.058 1.00 0.00 O ATOM 1228 CB VAL A 87 4.241 8.738 -3.596 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.548 9.437 -3.252 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.713 7.985 -2.387 1.00 0.00 C ATOM 0 H VAL A 87 1.968 8.118 -4.498 1.00 0.00 H new ATOM 0 HA VAL A 87 2.958 10.405 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 87 4.426 8.019 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.272 8.702 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.939 9.934 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.371 10.176 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.461 7.268 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.499 8.690 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.799 7.456 -2.658 1.00 0.00 H new ATOM 1240 N SER A 88 3.929 9.966 -6.403 1.00 0.00 N ATOM 1241 CA SER A 88 4.513 10.644 -7.550 1.00 0.00 C ATOM 1242 C SER A 88 3.737 11.914 -7.877 1.00 0.00 C ATOM 1243 O SER A 88 4.333 12.982 -8.018 1.00 0.00 O ATOM 1244 CB SER A 88 4.543 9.720 -8.768 1.00 0.00 C ATOM 1245 OG SER A 88 5.251 10.310 -9.845 1.00 0.00 O ATOM 0 H SER A 88 3.635 9.006 -6.583 1.00 0.00 H new ATOM 0 HA SER A 88 5.537 10.916 -7.294 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.011 8.773 -8.498 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.524 9.494 -9.081 1.00 0.00 H new ATOM 0 HG SER A 88 5.255 9.696 -10.609 1.00 0.00 H new ATOM 1251 N ARG A 89 2.408 11.803 -7.952 1.00 0.00 N ATOM 1252 CA ARG A 89 1.567 12.932 -8.347 1.00 0.00 C ATOM 1253 C ARG A 89 1.700 14.104 -7.368 1.00 0.00 C ATOM 1254 O ARG A 89 1.415 15.248 -7.721 1.00 0.00 O ATOM 1255 CB ARG A 89 0.093 12.512 -8.478 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.604 12.205 -7.157 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.094 11.988 -7.349 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.382 10.786 -8.131 1.00 0.00 N ATOM 1259 CZ ARG A 89 -3.064 10.789 -9.273 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -3.493 11.934 -9.788 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -3.300 9.645 -9.902 1.00 0.00 N ATOM 0 H ARG A 89 1.895 10.946 -7.745 1.00 0.00 H new ATOM 0 HA ARG A 89 1.918 13.265 -9.324 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.453 13.308 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.036 11.630 -9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.161 11.315 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.442 13.027 -6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.576 11.909 -6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.524 12.856 -7.849 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.039 9.892 -7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.300 12.813 -9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.016 11.935 -10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.959 8.767 -9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.823 9.643 -10.778 1.00 0.00 H new ATOM 1275 N GLY A 90 2.128 13.823 -6.143 1.00 0.00 N ATOM 1276 CA GLY A 90 2.300 14.886 -5.170 1.00 0.00 C ATOM 1277 C GLY A 90 3.734 15.046 -4.696 1.00 0.00 C ATOM 1278 O GLY A 90 3.987 15.732 -3.705 1.00 0.00 O ATOM 0 H GLY A 90 2.357 12.887 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.963 15.826 -5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.661 14.687 -4.310 1.00 0.00 H new ATOM 1282 N ARG A 91 4.676 14.414 -5.383 1.00 0.00 N ATOM 1283 CA ARG A 91 6.078 14.476 -4.977 1.00 0.00 C ATOM 1284 C ARG A 91 6.991 14.874 -6.133 1.00 0.00 C ATOM 1285 O ARG A 91 7.842 15.747 -5.982 1.00 0.00 O ATOM 1286 CB ARG A 91 6.519 13.125 -4.403 1.00 0.00 C ATOM 1287 CG ARG A 91 7.957 13.080 -3.915 1.00 0.00 C ATOM 1288 CD ARG A 91 8.215 14.108 -2.826 1.00 0.00 C ATOM 1289 NE ARG A 91 9.378 13.754 -2.020 1.00 0.00 N ATOM 1290 CZ ARG A 91 9.426 13.912 -0.702 1.00 0.00 C ATOM 1291 NH1 ARG A 91 8.445 14.549 -0.082 1.00 0.00 N ATOM 1292 NH2 ARG A 91 10.464 13.466 -0.006 1.00 0.00 N ATOM 0 H ARG A 91 4.499 13.856 -6.218 1.00 0.00 H new ATOM 0 HA ARG A 91 6.163 15.246 -4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.860 12.866 -3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.385 12.360 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.181 12.083 -3.535 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.631 13.260 -4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.369 15.088 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.337 14.188 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 91 10.195 13.366 -2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.657 14.916 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.477 14.673 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.234 12.997 -0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.492 13.592 1.006 1.00 0.00 H new