USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 431 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 62 THR OG1 : rot 180:sc= -0.408 USER MOD Set 1.2: A 65 GLN :FLIP amide:sc=-0.00443 F(o=-1,f=-0.41) USER MOD Single : A 6 GLN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.263 F(o=-0.94,f=-0.26) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.197 F(o=-1.6!,f=-0.2) USER MOD Single : A 13 GLN : amide:sc= 0.0978 X(o=0.098,f=-0.34) USER MOD Single : A 26 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.9!) USER MOD Single : A 27 SER OG : rot 98:sc= 1.19 USER MOD Single : A 33 SER OG : rot 33:sc= 0.0091 USER MOD Single : A 37 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.33) USER MOD Single : A 45 SER OG : rot 180:sc= 0.519 USER MOD Single : A 48 SER OG : rot 157:sc= 0.609 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -146:sc= -0.0234 (180deg=-0.394) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 1.791 -10.582 12.771 1.00 0.00 N ATOM 2 CA GLN A 6 1.007 -9.353 12.747 1.00 0.00 C ATOM 3 C GLN A 6 1.865 -8.167 13.174 1.00 0.00 C ATOM 4 O GLN A 6 1.550 -7.017 12.864 1.00 0.00 O ATOM 5 CB GLN A 6 -0.195 -9.481 13.683 1.00 0.00 C ATOM 6 CG GLN A 6 -1.137 -8.294 13.471 1.00 0.00 C ATOM 7 CD GLN A 6 -2.432 -8.511 14.246 1.00 0.00 C ATOM 8 OE1 GLN A 6 -3.502 -8.099 13.797 1.00 0.00 O ATOM 9 NE2 GLN A 6 -2.400 -9.137 15.391 1.00 0.00 N ATOM 0 HA GLN A 6 0.655 -9.186 11.729 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.722 -10.416 13.490 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.140 -9.512 14.720 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.656 -7.374 13.802 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.354 -8.177 12.409 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.513 -9.478 15.761 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.262 -9.286 15.915 1.00 0.00 H new ATOM 18 N GLN A 7 2.950 -8.454 13.887 1.00 0.00 N ATOM 19 CA GLN A 7 3.849 -7.405 14.352 1.00 0.00 C ATOM 20 C GLN A 7 4.088 -6.379 13.248 1.00 0.00 C ATOM 21 O GLN A 7 3.776 -5.201 13.405 1.00 0.00 O ATOM 22 CB GLN A 7 5.182 -8.017 14.782 1.00 0.00 C ATOM 23 CG GLN A 7 4.966 -8.893 16.018 1.00 0.00 C ATOM 24 CD GLN A 7 4.763 -8.017 17.250 1.00 0.00 C ATOM 25 OE1 GLN A 7 3.574 -7.550 17.518 1.00 0.00 O flip ATOM 26 NE2 GLN A 7 5.712 -7.751 17.987 1.00 0.00 N flip ATOM 0 H GLN A 7 3.226 -9.399 14.154 1.00 0.00 H new ATOM 0 HA GLN A 7 3.388 -6.904 15.203 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.600 -8.612 13.970 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.902 -7.229 15.003 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.098 -9.535 15.871 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.825 -9.547 16.165 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.640 -8.117 17.776 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.570 -7.164 18.809 1.00 0.00 H new ATOM 35 N GLN A 8 4.638 -6.839 12.130 1.00 0.00 N ATOM 36 CA GLN A 8 4.912 -5.951 11.006 1.00 0.00 C ATOM 37 C GLN A 8 3.706 -5.062 10.718 1.00 0.00 C ATOM 38 O GLN A 8 3.857 -3.894 10.358 1.00 0.00 O ATOM 39 CB GLN A 8 5.252 -6.776 9.760 1.00 0.00 C ATOM 40 CG GLN A 8 6.694 -7.285 9.854 1.00 0.00 C ATOM 41 CD GLN A 8 7.664 -6.203 9.389 1.00 0.00 C ATOM 42 OE1 GLN A 8 7.930 -5.195 10.174 1.00 0.00 O flip ATOM 43 NE2 GLN A 8 8.193 -6.279 8.280 1.00 0.00 N flip ATOM 0 H GLN A 8 4.901 -7.813 11.978 1.00 0.00 H new ATOM 0 HA GLN A 8 5.761 -5.318 11.265 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.565 -7.617 9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.129 -6.167 8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.921 -7.570 10.881 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.813 -8.179 9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.984 -7.068 7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.841 -5.553 7.973 1.00 0.00 H new ATOM 52 N ALA A 9 2.511 -5.622 10.874 1.00 0.00 N ATOM 53 CA ALA A 9 1.285 -4.871 10.623 1.00 0.00 C ATOM 54 C ALA A 9 1.092 -3.776 11.669 1.00 0.00 C ATOM 55 O ALA A 9 1.121 -2.588 11.348 1.00 0.00 O ATOM 56 CB ALA A 9 0.081 -5.815 10.641 1.00 0.00 C ATOM 0 H ALA A 9 2.365 -6.587 11.171 1.00 0.00 H new ATOM 0 HA ALA A 9 1.368 -4.403 9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.830 -5.247 10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.202 -6.573 9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.012 -6.298 11.616 1.00 0.00 H new ATOM 62 N VAL A 10 0.890 -4.180 12.918 1.00 0.00 N ATOM 63 CA VAL A 10 0.689 -3.218 13.996 1.00 0.00 C ATOM 64 C VAL A 10 1.895 -2.291 14.120 1.00 0.00 C ATOM 65 O VAL A 10 1.765 -1.141 14.541 1.00 0.00 O ATOM 66 CB VAL A 10 0.462 -3.954 15.319 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.567 -4.989 15.528 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.477 -2.950 16.476 1.00 0.00 C ATOM 0 H VAL A 10 0.861 -5.157 13.208 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.190 -2.617 13.763 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.504 -4.457 15.289 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.403 -5.511 16.471 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.553 -5.707 14.708 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.535 -4.488 15.555 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.315 -3.476 17.417 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.441 -2.443 16.505 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.315 -2.215 16.330 1.00 0.00 H new ATOM 78 N LEU A 11 3.066 -2.797 13.749 1.00 0.00 N ATOM 79 CA LEU A 11 4.287 -2.000 13.824 1.00 0.00 C ATOM 80 C LEU A 11 4.261 -0.883 12.785 1.00 0.00 C ATOM 81 O LEU A 11 4.159 0.295 13.130 1.00 0.00 O ATOM 82 CB LEU A 11 5.513 -2.889 13.587 1.00 0.00 C ATOM 83 CG LEU A 11 5.810 -3.723 14.841 1.00 0.00 C ATOM 84 CD1 LEU A 11 6.911 -4.737 14.521 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.277 -2.807 15.985 1.00 0.00 C ATOM 0 H LEU A 11 3.197 -3.745 13.397 1.00 0.00 H new ATOM 0 HA LEU A 11 4.347 -1.558 14.819 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.336 -3.547 12.737 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.377 -2.272 13.338 1.00 0.00 H new ATOM 0 HG LEU A 11 4.903 -4.244 15.149 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.126 -5.332 15.408 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.579 -5.392 13.716 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.813 -4.209 14.211 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.485 -3.408 16.870 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.182 -2.280 15.683 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.495 -2.083 16.214 1.00 0.00 H new ATOM 97 N GLU A 12 4.357 -1.257 11.513 1.00 0.00 N ATOM 98 CA GLU A 12 4.347 -0.271 10.438 1.00 0.00 C ATOM 99 C GLU A 12 3.100 0.605 10.528 1.00 0.00 C ATOM 100 O GLU A 12 3.124 1.778 10.154 1.00 0.00 O ATOM 101 CB GLU A 12 4.392 -0.975 9.077 1.00 0.00 C ATOM 102 CG GLU A 12 3.024 -1.586 8.762 1.00 0.00 C ATOM 103 CD GLU A 12 3.160 -2.624 7.653 1.00 0.00 C ATOM 104 OE1 GLU A 12 3.789 -3.640 7.893 1.00 0.00 O ATOM 105 OE2 GLU A 12 2.631 -2.386 6.579 1.00 0.00 O ATOM 0 H GLU A 12 4.442 -2.225 11.203 1.00 0.00 H new ATOM 0 HA GLU A 12 5.228 0.362 10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.671 -0.264 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.155 -1.754 9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.609 -2.050 9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.329 -0.804 8.456 1.00 0.00 H new ATOM 112 N GLN A 13 2.012 0.027 11.028 1.00 0.00 N ATOM 113 CA GLN A 13 0.763 0.765 11.165 1.00 0.00 C ATOM 114 C GLN A 13 0.906 1.861 12.216 1.00 0.00 C ATOM 115 O GLN A 13 0.524 3.009 11.985 1.00 0.00 O ATOM 116 CB GLN A 13 -0.366 -0.191 11.563 1.00 0.00 C ATOM 117 CG GLN A 13 -1.673 0.589 11.743 1.00 0.00 C ATOM 118 CD GLN A 13 -2.022 1.335 10.459 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.771 0.823 9.626 1.00 0.00 O ATOM 120 NE2 GLN A 13 -1.520 2.521 10.248 1.00 0.00 N ATOM 0 H GLN A 13 1.970 -0.942 11.342 1.00 0.00 H new ATOM 0 HA GLN A 13 0.523 1.227 10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.492 -0.957 10.798 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.109 -0.705 12.489 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.480 -0.095 12.006 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.573 1.295 12.567 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.900 2.943 10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.748 3.026 9.392 1.00 0.00 H new ATOM 129 N GLU A 14 1.459 1.502 13.370 1.00 0.00 N ATOM 130 CA GLU A 14 1.649 2.465 14.447 1.00 0.00 C ATOM 131 C GLU A 14 2.621 3.559 14.017 1.00 0.00 C ATOM 132 O GLU A 14 2.368 4.745 14.229 1.00 0.00 O ATOM 133 CB GLU A 14 2.187 1.758 15.695 1.00 0.00 C ATOM 134 CG GLU A 14 1.050 1.002 16.386 1.00 0.00 C ATOM 135 CD GLU A 14 1.622 -0.001 17.381 1.00 0.00 C ATOM 136 OE1 GLU A 14 2.641 -0.598 17.072 1.00 0.00 O ATOM 137 OE2 GLU A 14 1.034 -0.159 18.438 1.00 0.00 O ATOM 0 H GLU A 14 1.781 0.558 13.582 1.00 0.00 H new ATOM 0 HA GLU A 14 0.686 2.920 14.679 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.983 1.066 15.419 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.622 2.487 16.379 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.395 1.705 16.901 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.442 0.485 15.644 1.00 0.00 H new ATOM 144 N ARG A 15 3.732 3.153 13.410 1.00 0.00 N ATOM 145 CA ARG A 15 4.734 4.109 12.953 1.00 0.00 C ATOM 146 C ARG A 15 4.113 5.105 11.979 1.00 0.00 C ATOM 147 O ARG A 15 4.243 6.318 12.147 1.00 0.00 O ATOM 148 CB ARG A 15 5.886 3.372 12.269 1.00 0.00 C ATOM 149 CG ARG A 15 6.732 2.654 13.322 1.00 0.00 C ATOM 150 CD ARG A 15 7.885 1.918 12.638 1.00 0.00 C ATOM 151 NE ARG A 15 8.866 2.873 12.136 1.00 0.00 N ATOM 152 CZ ARG A 15 10.100 2.491 11.824 1.00 0.00 C ATOM 153 NH1 ARG A 15 10.452 1.242 11.965 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.961 3.364 11.378 1.00 0.00 N ATOM 0 H ARG A 15 3.960 2.176 13.224 1.00 0.00 H new ATOM 0 HA ARG A 15 5.116 4.651 13.818 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.495 2.653 11.550 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.502 4.077 11.712 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.122 3.373 14.042 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.116 1.948 13.879 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.359 1.235 13.343 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.503 1.313 11.816 1.00 0.00 H new ATOM 0 HE ARG A 15 8.600 3.851 12.022 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.780 0.559 12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.399 0.949 11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.687 4.340 11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.908 3.070 11.139 1.00 0.00 H new ATOM 168 N ARG A 16 3.436 4.585 10.962 1.00 0.00 N ATOM 169 CA ARG A 16 2.796 5.437 9.966 1.00 0.00 C ATOM 170 C ARG A 16 1.709 6.289 10.613 1.00 0.00 C ATOM 171 O ARG A 16 1.763 7.519 10.572 1.00 0.00 O ATOM 172 CB ARG A 16 2.181 4.577 8.859 1.00 0.00 C ATOM 173 CG ARG A 16 3.295 3.989 7.991 1.00 0.00 C ATOM 174 CD ARG A 16 2.679 3.142 6.876 1.00 0.00 C ATOM 175 NE ARG A 16 3.729 2.538 6.063 1.00 0.00 N ATOM 176 CZ ARG A 16 4.472 3.274 5.243 1.00 0.00 C ATOM 177 NH1 ARG A 16 4.269 4.560 5.156 1.00 0.00 N ATOM 178 NH2 ARG A 16 5.404 2.709 4.525 1.00 0.00 N ATOM 0 H ARG A 16 3.316 3.584 10.805 1.00 0.00 H new ATOM 0 HA ARG A 16 3.552 6.094 9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.584 3.776 9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.508 5.179 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.898 4.790 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.962 3.378 8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.049 2.363 7.307 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.037 3.762 6.251 1.00 0.00 H new ATOM 0 HE ARG A 16 3.896 1.534 6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.540 5.000 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.839 5.125 4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.561 1.704 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.975 3.273 3.895 1.00 0.00 H new ATOM 192 N ASP A 17 0.723 5.628 11.211 1.00 0.00 N ATOM 193 CA ASP A 17 -0.373 6.335 11.865 1.00 0.00 C ATOM 194 C ASP A 17 0.149 7.543 12.636 1.00 0.00 C ATOM 195 O ASP A 17 -0.327 8.663 12.452 1.00 0.00 O ATOM 196 CB ASP A 17 -1.104 5.393 12.824 1.00 0.00 C ATOM 197 CG ASP A 17 -2.191 6.154 13.576 1.00 0.00 C ATOM 198 OD1 ASP A 17 -1.846 7.048 14.332 1.00 0.00 O ATOM 199 OD2 ASP A 17 -3.352 5.833 13.385 1.00 0.00 O ATOM 0 H ASP A 17 0.660 4.611 11.257 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.065 6.681 11.097 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.546 4.566 12.268 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.396 4.960 13.531 1.00 0.00 H new ATOM 204 N ARG A 18 1.133 7.307 13.499 1.00 0.00 N ATOM 205 CA ARG A 18 1.714 8.384 14.293 1.00 0.00 C ATOM 206 C ARG A 18 2.299 9.463 13.386 1.00 0.00 C ATOM 207 O ARG A 18 2.000 10.647 13.540 1.00 0.00 O ATOM 208 CB ARG A 18 2.812 7.830 15.202 1.00 0.00 C ATOM 209 CG ARG A 18 2.184 6.937 16.275 1.00 0.00 C ATOM 210 CD ARG A 18 3.277 6.108 16.953 1.00 0.00 C ATOM 211 NE ARG A 18 4.321 6.981 17.476 1.00 0.00 N ATOM 212 CZ ARG A 18 5.449 6.484 17.972 1.00 0.00 C ATOM 213 NH1 ARG A 18 5.636 5.192 17.996 1.00 0.00 N ATOM 214 NH2 ARG A 18 6.368 7.286 18.435 1.00 0.00 N ATOM 0 H ARG A 18 1.542 6.387 13.665 1.00 0.00 H new ATOM 0 HA ARG A 18 0.926 8.825 14.903 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.532 7.260 14.615 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.359 8.649 15.670 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.665 7.548 17.014 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.440 6.279 15.826 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.847 5.518 17.763 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.705 5.404 16.239 1.00 0.00 H new ATOM 0 HE ARG A 18 4.183 7.992 17.461 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.917 4.566 17.634 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.501 4.809 18.376 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.221 8.295 18.416 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.234 6.904 18.816 1.00 0.00 H new ATOM 228 N GLU A 19 3.134 9.045 12.440 1.00 0.00 N ATOM 229 CA GLU A 19 3.756 9.984 11.514 1.00 0.00 C ATOM 230 C GLU A 19 2.693 10.776 10.760 1.00 0.00 C ATOM 231 O GLU A 19 2.592 11.994 10.908 1.00 0.00 O ATOM 232 CB GLU A 19 4.636 9.229 10.516 1.00 0.00 C ATOM 233 CG GLU A 19 5.897 8.728 11.224 1.00 0.00 C ATOM 234 CD GLU A 19 6.818 9.901 11.541 1.00 0.00 C ATOM 235 OE1 GLU A 19 6.619 10.958 10.963 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.710 9.726 12.355 1.00 0.00 O ATOM 0 H GLU A 19 3.394 8.069 12.295 1.00 0.00 H new ATOM 0 HA GLU A 19 4.371 10.677 12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.086 8.389 10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.907 9.883 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.626 8.209 12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.417 8.007 10.593 1.00 0.00 H new ATOM 243 N LEU A 20 1.902 10.078 9.951 1.00 0.00 N ATOM 244 CA LEU A 20 0.850 10.730 9.180 1.00 0.00 C ATOM 245 C LEU A 20 -0.029 11.583 10.090 1.00 0.00 C ATOM 246 O LEU A 20 -0.122 12.799 9.917 1.00 0.00 O ATOM 247 CB LEU A 20 -0.009 9.676 8.472 1.00 0.00 C ATOM 248 CG LEU A 20 0.681 9.230 7.180 1.00 0.00 C ATOM 249 CD1 LEU A 20 2.111 8.780 7.488 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.097 8.066 6.564 1.00 0.00 C ATOM 0 H LEU A 20 1.968 9.070 9.813 1.00 0.00 H new ATOM 0 HA LEU A 20 1.316 11.376 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.164 8.819 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.993 10.087 8.247 1.00 0.00 H new ATOM 0 HG LEU A 20 0.708 10.064 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.599 8.463 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.667 9.609 7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.087 7.947 8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.393 7.747 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.124 7.234 7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.115 8.386 6.341 1.00 0.00 H new ATOM 262 N ALA A 21 -0.674 10.940 11.058 1.00 0.00 N ATOM 263 CA ALA A 21 -1.545 11.652 11.987 1.00 0.00 C ATOM 264 C ALA A 21 -0.879 12.939 12.467 1.00 0.00 C ATOM 265 O ALA A 21 -1.533 13.974 12.601 1.00 0.00 O ATOM 266 CB ALA A 21 -1.864 10.764 13.191 1.00 0.00 C ATOM 0 H ALA A 21 -0.611 9.935 11.219 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.469 11.905 11.466 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.515 11.304 13.879 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.366 9.858 12.852 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.939 10.497 13.701 1.00 0.00 H new ATOM 272 N LEU A 22 0.423 12.868 12.722 1.00 0.00 N ATOM 273 CA LEU A 22 1.166 14.034 13.184 1.00 0.00 C ATOM 274 C LEU A 22 1.318 15.052 12.058 1.00 0.00 C ATOM 275 O LEU A 22 1.289 16.260 12.292 1.00 0.00 O ATOM 276 CB LEU A 22 2.550 13.607 13.686 1.00 0.00 C ATOM 277 CG LEU A 22 3.302 14.824 14.257 1.00 0.00 C ATOM 278 CD1 LEU A 22 4.043 14.420 15.534 1.00 0.00 C ATOM 279 CD2 LEU A 22 4.318 15.336 13.230 1.00 0.00 C ATOM 0 H LEU A 22 0.982 12.021 12.617 1.00 0.00 H new ATOM 0 HA LEU A 22 0.612 14.496 14.001 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.447 12.840 14.454 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.122 13.166 12.870 1.00 0.00 H new ATOM 0 HG LEU A 22 2.582 15.611 14.483 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.574 15.283 15.935 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.326 14.060 16.272 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.757 13.629 15.305 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.847 16.197 13.639 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.033 14.546 13.001 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.797 15.630 12.319 1.00 0.00 H new ATOM 291 N ARG A 23 1.477 14.555 10.837 1.00 0.00 N ATOM 292 CA ARG A 23 1.631 15.431 9.681 1.00 0.00 C ATOM 293 C ARG A 23 0.329 16.173 9.396 1.00 0.00 C ATOM 294 O ARG A 23 0.334 17.374 9.129 1.00 0.00 O ATOM 295 CB ARG A 23 2.033 14.613 8.453 1.00 0.00 C ATOM 296 CG ARG A 23 3.494 14.175 8.586 1.00 0.00 C ATOM 297 CD ARG A 23 3.806 13.108 7.535 1.00 0.00 C ATOM 298 NE ARG A 23 3.161 13.439 6.270 1.00 0.00 N ATOM 299 CZ ARG A 23 3.577 12.906 5.126 1.00 0.00 C ATOM 300 NH1 ARG A 23 4.579 12.071 5.122 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.982 13.218 4.006 1.00 0.00 N ATOM 0 H ARG A 23 1.503 13.558 10.622 1.00 0.00 H new ATOM 0 HA ARG A 23 2.412 16.159 9.902 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.388 13.740 8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.901 15.207 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.155 15.032 8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.677 13.780 9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.884 13.033 7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.462 12.134 7.883 1.00 0.00 H new ATOM 0 HE ARG A 23 2.377 14.091 6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.043 11.827 5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.898 11.662 4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.198 13.871 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.301 12.809 3.128 1.00 0.00 H new ATOM 315 N ILE A 24 -0.784 15.448 9.454 1.00 0.00 N ATOM 316 CA ILE A 24 -2.087 16.049 9.201 1.00 0.00 C ATOM 317 C ILE A 24 -2.472 16.989 10.339 1.00 0.00 C ATOM 318 O ILE A 24 -3.055 18.049 10.111 1.00 0.00 O ATOM 319 CB ILE A 24 -3.147 14.955 9.057 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.675 13.922 8.032 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.464 15.574 8.584 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.725 12.818 7.895 1.00 0.00 C ATOM 0 H ILE A 24 -0.809 14.452 9.672 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.030 16.622 8.276 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.300 14.471 10.021 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.509 14.402 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.722 13.495 8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.217 14.793 8.482 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.802 16.311 9.312 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.312 16.060 7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.387 12.083 7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.869 12.331 8.860 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.668 13.252 7.563 1.00 0.00 H new ATOM 334 N ALA A 25 -2.141 16.595 11.564 1.00 0.00 N ATOM 335 CA ALA A 25 -2.456 17.412 12.730 1.00 0.00 C ATOM 336 C ALA A 25 -1.706 18.739 12.672 1.00 0.00 C ATOM 337 O ALA A 25 -2.294 19.805 12.859 1.00 0.00 O ATOM 338 CB ALA A 25 -2.074 16.665 14.010 1.00 0.00 C ATOM 0 H ALA A 25 -1.658 15.722 11.775 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.528 17.612 12.731 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.312 17.282 14.876 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.632 15.730 14.066 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.005 16.450 14.001 1.00 0.00 H new ATOM 344 N GLN A 26 -0.407 18.669 12.409 1.00 0.00 N ATOM 345 CA GLN A 26 0.410 19.874 12.325 1.00 0.00 C ATOM 346 C GLN A 26 0.021 20.695 11.101 1.00 0.00 C ATOM 347 O GLN A 26 0.021 21.926 11.140 1.00 0.00 O ATOM 348 CB GLN A 26 1.890 19.498 12.241 1.00 0.00 C ATOM 349 CG GLN A 26 2.312 18.791 13.531 1.00 0.00 C ATOM 350 CD GLN A 26 2.441 19.806 14.662 1.00 0.00 C ATOM 351 OE1 GLN A 26 2.707 20.982 14.415 1.00 0.00 O ATOM 352 NE2 GLN A 26 2.268 19.418 15.897 1.00 0.00 N ATOM 0 H GLN A 26 0.101 17.798 12.251 1.00 0.00 H new ATOM 0 HA GLN A 26 0.240 20.471 13.221 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.062 18.847 11.384 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.495 20.392 12.089 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.578 18.030 13.796 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.262 18.278 13.381 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.048 18.443 16.099 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.353 20.090 16.659 1.00 0.00 H new ATOM 361 N SER A 27 -0.310 20.006 10.014 1.00 0.00 N ATOM 362 CA SER A 27 -0.700 20.680 8.781 1.00 0.00 C ATOM 363 C SER A 27 -2.069 21.336 8.933 1.00 0.00 C ATOM 364 O SER A 27 -2.209 22.546 8.755 1.00 0.00 O ATOM 365 CB SER A 27 -0.740 19.677 7.629 1.00 0.00 C ATOM 366 OG SER A 27 0.562 19.146 7.423 1.00 0.00 O ATOM 0 H SER A 27 -0.316 18.987 9.961 1.00 0.00 H new ATOM 0 HA SER A 27 0.037 21.454 8.566 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.441 18.874 7.855 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.095 20.163 6.720 1.00 0.00 H new ATOM 0 HG SER A 27 0.634 18.276 7.867 1.00 0.00 H new ATOM 372 N GLU A 28 -3.076 20.532 9.261 1.00 0.00 N ATOM 373 CA GLU A 28 -4.427 21.052 9.430 1.00 0.00 C ATOM 374 C GLU A 28 -4.448 22.131 10.508 1.00 0.00 C ATOM 375 O GLU A 28 -5.189 23.108 10.408 1.00 0.00 O ATOM 376 CB GLU A 28 -5.389 19.917 9.801 1.00 0.00 C ATOM 377 CG GLU A 28 -5.177 19.505 11.263 1.00 0.00 C ATOM 378 CD GLU A 28 -5.985 20.411 12.188 1.00 0.00 C ATOM 379 OE1 GLU A 28 -7.175 20.549 11.958 1.00 0.00 O ATOM 380 OE2 GLU A 28 -5.401 20.952 13.113 1.00 0.00 O ATOM 0 H GLU A 28 -2.983 19.528 9.414 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.751 21.493 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.419 20.239 9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.224 19.061 9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.479 18.467 11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.118 19.566 11.516 1.00 0.00 H new ATOM 387 N ALA A 29 -3.626 21.947 11.536 1.00 0.00 N ATOM 388 CA ALA A 29 -3.555 22.914 12.624 1.00 0.00 C ATOM 389 C ALA A 29 -2.859 24.187 12.155 1.00 0.00 C ATOM 390 O ALA A 29 -3.231 25.292 12.548 1.00 0.00 O ATOM 391 CB ALA A 29 -2.789 22.317 13.805 1.00 0.00 C ATOM 0 H ALA A 29 -3.005 21.144 11.638 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.570 23.159 12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.741 23.046 14.614 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.301 21.421 14.155 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.778 22.058 13.490 1.00 0.00 H new ATOM 397 N GLU A 30 -1.845 24.021 11.309 1.00 0.00 N ATOM 398 CA GLU A 30 -1.101 25.161 10.786 1.00 0.00 C ATOM 399 C GLU A 30 -1.845 25.795 9.614 1.00 0.00 C ATOM 400 O GLU A 30 -1.673 26.979 9.324 1.00 0.00 O ATOM 401 CB GLU A 30 0.288 24.712 10.328 1.00 0.00 C ATOM 402 CG GLU A 30 1.171 24.449 11.551 1.00 0.00 C ATOM 403 CD GLU A 30 1.630 25.770 12.156 1.00 0.00 C ATOM 404 OE1 GLU A 30 0.889 26.323 12.953 1.00 0.00 O ATOM 405 OE2 GLU A 30 2.714 26.211 11.815 1.00 0.00 O ATOM 0 H GLU A 30 -1.522 23.113 10.973 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.000 25.901 11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.208 23.809 9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.740 25.478 9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.617 23.873 12.292 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.036 23.851 11.264 1.00 0.00 H new ATOM 412 N LEU A 31 -2.672 24.999 8.945 1.00 0.00 N ATOM 413 CA LEU A 31 -3.439 25.490 7.807 1.00 0.00 C ATOM 414 C LEU A 31 -2.511 26.133 6.776 1.00 0.00 C ATOM 415 O LEU A 31 -2.934 26.972 5.980 1.00 0.00 O ATOM 416 CB LEU A 31 -4.481 26.509 8.289 1.00 0.00 C ATOM 417 CG LEU A 31 -5.839 25.820 8.487 1.00 0.00 C ATOM 418 CD1 LEU A 31 -6.682 26.624 9.480 1.00 0.00 C ATOM 419 CD2 LEU A 31 -6.578 25.741 7.148 1.00 0.00 C ATOM 0 H LEU A 31 -2.828 24.016 9.170 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.949 24.651 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.154 26.961 9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.576 27.316 7.562 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.677 24.814 8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.646 26.134 9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.162 26.681 10.436 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.840 27.630 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.541 25.252 7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.737 26.747 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.983 25.168 6.437 1.00 0.00 H new ATOM 450 N SER A 33 -0.333 24.126 4.717 1.00 0.00 N ATOM 451 CA SER A 33 -0.331 23.236 3.561 1.00 0.00 C ATOM 452 C SER A 33 -1.705 23.215 2.898 1.00 0.00 C ATOM 453 O SER A 33 -2.308 22.155 2.732 1.00 0.00 O ATOM 454 CB SER A 33 0.050 21.821 3.994 1.00 0.00 C ATOM 455 OG SER A 33 1.423 21.794 4.356 1.00 0.00 O ATOM 0 HA SER A 33 0.400 23.606 2.842 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.566 21.508 4.837 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.138 21.117 3.183 1.00 0.00 H new ATOM 0 HG SER A 33 1.675 22.656 4.749 1.00 0.00 H new ATOM 461 N ASP A 34 -2.193 24.393 2.520 1.00 0.00 N ATOM 462 CA ASP A 34 -3.496 24.496 1.874 1.00 0.00 C ATOM 463 C ASP A 34 -3.455 23.864 0.485 1.00 0.00 C ATOM 464 O ASP A 34 -4.483 23.449 -0.048 1.00 0.00 O ATOM 465 CB ASP A 34 -3.906 25.965 1.757 1.00 0.00 C ATOM 466 CG ASP A 34 -4.266 26.517 3.133 1.00 0.00 C ATOM 467 OD1 ASP A 34 -5.232 26.042 3.705 1.00 0.00 O ATOM 468 OD2 ASP A 34 -3.569 27.406 3.593 1.00 0.00 O ATOM 0 H ASP A 34 -1.710 25.282 2.649 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.227 23.963 2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.091 26.545 1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.757 26.061 1.083 1.00 0.00 H new ATOM 473 N GLU A 35 -2.260 23.796 -0.092 1.00 0.00 N ATOM 474 CA GLU A 35 -2.096 23.213 -1.418 1.00 0.00 C ATOM 475 C GLU A 35 -2.598 21.773 -1.435 1.00 0.00 C ATOM 476 O GLU A 35 -3.263 21.349 -2.381 1.00 0.00 O ATOM 477 CB GLU A 35 -0.621 23.245 -1.824 1.00 0.00 C ATOM 478 CG GLU A 35 0.201 22.423 -0.830 1.00 0.00 C ATOM 479 CD GLU A 35 1.686 22.726 -1.005 1.00 0.00 C ATOM 480 OE1 GLU A 35 2.127 23.744 -0.496 1.00 0.00 O ATOM 481 OE2 GLU A 35 2.360 21.936 -1.645 1.00 0.00 O ATOM 0 H GLU A 35 -1.397 24.135 0.334 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.681 23.799 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.501 22.844 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.261 24.274 -1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.108 22.654 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.018 21.360 -0.985 1.00 0.00 H new ATOM 488 N ALA A 36 -2.278 21.027 -0.384 1.00 0.00 N ATOM 489 CA ALA A 36 -2.703 19.635 -0.289 1.00 0.00 C ATOM 490 C ALA A 36 -4.225 19.546 -0.229 1.00 0.00 C ATOM 491 O ALA A 36 -4.837 18.748 -0.939 1.00 0.00 O ATOM 492 CB ALA A 36 -2.102 18.988 0.960 1.00 0.00 C ATOM 0 H ALA A 36 -1.730 21.359 0.409 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.352 19.105 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.425 17.949 1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.014 19.027 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.438 19.526 1.846 1.00 0.00 H new ATOM 498 N GLN A 37 -4.828 20.369 0.622 1.00 0.00 N ATOM 499 CA GLN A 37 -6.279 20.373 0.766 1.00 0.00 C ATOM 500 C GLN A 37 -6.950 20.606 -0.584 1.00 0.00 C ATOM 501 O GLN A 37 -7.834 19.850 -0.987 1.00 0.00 O ATOM 502 CB GLN A 37 -6.704 21.470 1.745 1.00 0.00 C ATOM 503 CG GLN A 37 -5.929 21.314 3.055 1.00 0.00 C ATOM 504 CD GLN A 37 -6.310 20.003 3.733 1.00 0.00 C ATOM 505 OE1 GLN A 37 -7.493 19.700 3.879 1.00 0.00 O ATOM 506 NE2 GLN A 37 -5.371 19.202 4.157 1.00 0.00 N ATOM 0 H GLN A 37 -4.339 21.037 1.218 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.590 19.402 1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.513 22.452 1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.776 21.408 1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.857 21.333 2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.146 22.152 3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.391 19.456 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.617 18.322 4.611 1.00 0.00 H new ATOM 515 N ALA A 38 -6.525 21.657 -1.277 1.00 0.00 N ATOM 516 CA ALA A 38 -7.092 21.980 -2.581 1.00 0.00 C ATOM 517 C ALA A 38 -6.886 20.826 -3.557 1.00 0.00 C ATOM 518 O ALA A 38 -7.783 20.486 -4.328 1.00 0.00 O ATOM 519 CB ALA A 38 -6.434 23.244 -3.137 1.00 0.00 C ATOM 0 H ALA A 38 -5.795 22.295 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.162 22.150 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.863 23.479 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.608 24.075 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.362 23.080 -3.243 1.00 0.00 H new ATOM 525 N ASP A 39 -5.700 20.228 -3.517 1.00 0.00 N ATOM 526 CA ASP A 39 -5.387 19.114 -4.403 1.00 0.00 C ATOM 527 C ASP A 39 -6.338 17.947 -4.157 1.00 0.00 C ATOM 528 O ASP A 39 -7.150 17.603 -5.016 1.00 0.00 O ATOM 529 CB ASP A 39 -3.946 18.654 -4.177 1.00 0.00 C ATOM 530 CG ASP A 39 -3.563 17.605 -5.215 1.00 0.00 C ATOM 531 OD1 ASP A 39 -4.348 16.694 -5.425 1.00 0.00 O ATOM 532 OD2 ASP A 39 -2.492 17.727 -5.785 1.00 0.00 O ATOM 0 H ASP A 39 -4.945 20.494 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.504 19.452 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.269 19.506 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.841 18.240 -3.174 1.00 0.00 H new ATOM 537 N LEU A 40 -6.234 17.344 -2.977 1.00 0.00 N ATOM 538 CA LEU A 40 -7.091 16.216 -2.628 1.00 0.00 C ATOM 539 C LEU A 40 -8.547 16.531 -2.952 1.00 0.00 C ATOM 540 O LEU A 40 -9.283 15.675 -3.442 1.00 0.00 O ATOM 541 CB LEU A 40 -6.955 15.896 -1.138 1.00 0.00 C ATOM 542 CG LEU A 40 -5.483 15.642 -0.793 1.00 0.00 C ATOM 543 CD1 LEU A 40 -5.307 15.662 0.726 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.050 14.276 -1.336 1.00 0.00 C ATOM 0 H LEU A 40 -5.570 17.615 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.778 15.352 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.340 16.724 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.553 15.019 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.869 16.421 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.261 15.482 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.609 16.635 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.925 14.884 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.003 14.101 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.665 13.495 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.174 14.259 -2.419 1.00 0.00 H new ATOM 556 N ALA A 41 -8.958 17.764 -2.673 1.00 0.00 N ATOM 557 CA ALA A 41 -10.330 18.179 -2.938 1.00 0.00 C ATOM 558 C ALA A 41 -10.650 18.058 -4.425 1.00 0.00 C ATOM 559 O ALA A 41 -11.684 17.508 -4.804 1.00 0.00 O ATOM 560 CB ALA A 41 -10.534 19.627 -2.487 1.00 0.00 C ATOM 0 H ALA A 41 -8.365 18.488 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.001 17.526 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.562 19.929 -2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.335 19.707 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.851 20.278 -3.033 1.00 0.00 H new ATOM 566 N LEU A 42 -9.757 18.574 -5.262 1.00 0.00 N ATOM 567 CA LEU A 42 -9.954 18.518 -6.706 1.00 0.00 C ATOM 568 C LEU A 42 -9.878 17.078 -7.201 1.00 0.00 C ATOM 569 O LEU A 42 -10.578 16.697 -8.139 1.00 0.00 O ATOM 570 CB LEU A 42 -8.889 19.360 -7.413 1.00 0.00 C ATOM 571 CG LEU A 42 -9.095 20.846 -7.080 1.00 0.00 C ATOM 572 CD1 LEU A 42 -7.767 21.593 -7.229 1.00 0.00 C ATOM 573 CD2 LEU A 42 -10.125 21.454 -8.039 1.00 0.00 C ATOM 0 H LEU A 42 -8.895 19.033 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.942 18.917 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.894 19.042 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.948 19.208 -8.491 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.455 20.936 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.914 22.647 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.031 21.167 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.409 21.498 -8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.268 22.508 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.767 21.361 -9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.073 20.927 -7.936 1.00 0.00 H new ATOM 585 N ARG A 43 -9.025 16.282 -6.566 1.00 0.00 N ATOM 586 CA ARG A 43 -8.866 14.885 -6.953 1.00 0.00 C ATOM 587 C ARG A 43 -10.038 14.052 -6.446 1.00 0.00 C ATOM 588 O ARG A 43 -10.473 13.109 -7.105 1.00 0.00 O ATOM 589 CB ARG A 43 -7.559 14.329 -6.383 1.00 0.00 C ATOM 590 CG ARG A 43 -7.431 12.850 -6.749 1.00 0.00 C ATOM 591 CD ARG A 43 -6.006 12.373 -6.465 1.00 0.00 C ATOM 592 NE ARG A 43 -5.938 10.917 -6.523 1.00 0.00 N ATOM 593 CZ ARG A 43 -4.958 10.250 -5.923 1.00 0.00 C ATOM 594 NH1 ARG A 43 -4.034 10.898 -5.267 1.00 0.00 N ATOM 595 NH2 ARG A 43 -4.919 8.948 -5.990 1.00 0.00 N ATOM 0 H ARG A 43 -8.437 16.577 -5.787 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.839 14.831 -8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.711 14.887 -6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.542 14.449 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.144 12.260 -6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.671 12.703 -7.802 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.319 12.805 -7.193 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.688 12.720 -5.482 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.655 10.402 -7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.064 11.916 -5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.282 10.386 -4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.641 8.442 -6.503 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.167 8.436 -5.529 1.00 0.00 H new ATOM 609 N ARG A 44 -10.546 14.409 -5.270 1.00 0.00 N ATOM 610 CA ARG A 44 -11.667 13.690 -4.683 1.00 0.00 C ATOM 611 C ARG A 44 -12.980 14.159 -5.303 1.00 0.00 C ATOM 612 O ARG A 44 -14.009 13.493 -5.182 1.00 0.00 O ATOM 613 CB ARG A 44 -11.689 13.922 -3.168 1.00 0.00 C ATOM 614 CG ARG A 44 -13.063 13.557 -2.606 1.00 0.00 C ATOM 615 CD ARG A 44 -12.965 13.360 -1.091 1.00 0.00 C ATOM 616 NE ARG A 44 -12.053 14.341 -0.515 1.00 0.00 N ATOM 617 CZ ARG A 44 -12.433 15.599 -0.314 1.00 0.00 C ATOM 618 NH1 ARG A 44 -13.641 15.975 -0.637 1.00 0.00 N ATOM 619 NH2 ARG A 44 -11.600 16.457 0.205 1.00 0.00 N ATOM 0 H ARG A 44 -10.200 15.188 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.550 12.625 -4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.918 13.319 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.462 14.965 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.781 14.345 -2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.429 12.645 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.952 13.460 -0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.614 12.352 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.107 14.057 -0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.293 15.304 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.933 16.940 -0.483 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.656 16.163 0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.892 17.422 0.359 1.00 0.00 H new ATOM 633 N SER A 45 -12.938 15.310 -5.966 1.00 0.00 N ATOM 634 CA SER A 45 -14.130 15.858 -6.601 1.00 0.00 C ATOM 635 C SER A 45 -14.609 14.943 -7.723 1.00 0.00 C ATOM 636 O SER A 45 -13.811 14.244 -8.350 1.00 0.00 O ATOM 637 CB SER A 45 -13.827 17.246 -7.168 1.00 0.00 C ATOM 638 OG SER A 45 -14.816 17.586 -8.131 1.00 0.00 O ATOM 0 H SER A 45 -12.098 15.878 -6.077 1.00 0.00 H new ATOM 0 HA SER A 45 -14.916 15.935 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.815 17.984 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.838 17.256 -7.626 1.00 0.00 H new ATOM 0 HG SER A 45 -14.626 18.476 -8.495 1.00 0.00 H new ATOM 644 N LEU A 46 -15.914 14.950 -7.970 1.00 0.00 N ATOM 645 CA LEU A 46 -16.488 14.114 -9.019 1.00 0.00 C ATOM 646 C LEU A 46 -16.042 14.605 -10.394 1.00 0.00 C ATOM 647 O LEU A 46 -16.195 13.901 -11.393 1.00 0.00 O ATOM 648 CB LEU A 46 -18.018 14.144 -8.935 1.00 0.00 C ATOM 649 CG LEU A 46 -18.501 13.246 -7.788 1.00 0.00 C ATOM 650 CD1 LEU A 46 -18.249 11.770 -8.128 1.00 0.00 C ATOM 651 CD2 LEU A 46 -17.753 13.610 -6.502 1.00 0.00 C ATOM 0 H LEU A 46 -16.591 15.520 -7.463 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.138 13.091 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -18.361 15.166 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -18.448 13.806 -9.878 1.00 0.00 H new ATOM 0 HG LEU A 46 -19.571 13.399 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -18.596 11.143 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -18.790 11.509 -9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -17.182 11.609 -8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -18.097 12.972 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -16.683 13.465 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.946 14.653 -6.251 1.00 0.00 H new ATOM 663 N ASP A 47 -15.493 15.813 -10.437 1.00 0.00 N ATOM 664 CA ASP A 47 -15.029 16.386 -11.694 1.00 0.00 C ATOM 665 C ASP A 47 -13.785 15.657 -12.190 1.00 0.00 C ATOM 666 O ASP A 47 -13.514 15.614 -13.389 1.00 0.00 O ATOM 667 CB ASP A 47 -14.712 17.871 -11.505 1.00 0.00 C ATOM 668 CG ASP A 47 -14.584 18.555 -12.863 1.00 0.00 C ATOM 669 OD1 ASP A 47 -13.590 18.321 -13.529 1.00 0.00 O ATOM 670 OD2 ASP A 47 -15.483 19.300 -13.216 1.00 0.00 O ATOM 0 H ASP A 47 -15.359 16.411 -9.622 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.820 16.275 -12.436 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.499 18.348 -10.921 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.785 17.985 -10.943 1.00 0.00 H new ATOM 675 N SER A 48 -13.030 15.083 -11.256 1.00 0.00 N ATOM 676 CA SER A 48 -11.815 14.356 -11.608 1.00 0.00 C ATOM 677 C SER A 48 -12.138 12.903 -11.943 1.00 0.00 C ATOM 678 O SER A 48 -11.949 12.009 -11.117 1.00 0.00 O ATOM 679 CB SER A 48 -10.824 14.405 -10.444 1.00 0.00 C ATOM 680 OG SER A 48 -11.367 13.700 -9.336 1.00 0.00 O ATOM 0 H SER A 48 -13.237 15.107 -10.257 1.00 0.00 H new ATOM 0 HA SER A 48 -11.371 14.828 -12.484 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.874 13.962 -10.741 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.621 15.440 -10.167 1.00 0.00 H new ATOM 0 HG SER A 48 -10.641 13.413 -8.743 1.00 0.00 H new ATOM 894 N THR A 62 17.523 6.566 -15.615 1.00 0.00 N ATOM 895 CA THR A 62 18.314 5.613 -16.385 1.00 0.00 C ATOM 896 C THR A 62 19.517 5.135 -15.571 1.00 0.00 C ATOM 897 O THR A 62 20.054 5.882 -14.754 1.00 0.00 O ATOM 898 CB THR A 62 18.800 6.270 -17.679 1.00 0.00 C ATOM 899 OG1 THR A 62 19.411 7.516 -17.375 1.00 0.00 O ATOM 900 CG2 THR A 62 17.612 6.498 -18.616 1.00 0.00 C ATOM 0 HA THR A 62 17.687 4.754 -16.625 1.00 0.00 H new ATOM 0 HB THR A 62 19.525 5.618 -18.167 1.00 0.00 H new ATOM 0 HG1 THR A 62 19.724 7.938 -18.203 1.00 0.00 H new ATOM 0 HG21 THR A 62 17.960 6.966 -19.537 1.00 0.00 H new ATOM 0 HG22 THR A 62 17.144 5.542 -18.849 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.885 7.149 -18.130 1.00 0.00 H new ATOM 908 N PRO A 63 19.950 3.916 -15.777 1.00 0.00 N ATOM 909 CA PRO A 63 21.113 3.344 -15.044 1.00 0.00 C ATOM 910 C PRO A 63 22.231 4.366 -14.844 1.00 0.00 C ATOM 911 O PRO A 63 22.854 4.417 -13.784 1.00 0.00 O ATOM 912 CB PRO A 63 21.568 2.201 -15.951 1.00 0.00 C ATOM 913 CG PRO A 63 20.331 1.740 -16.655 1.00 0.00 C ATOM 914 CD PRO A 63 19.381 2.944 -16.728 1.00 0.00 C ATOM 0 HA PRO A 63 20.851 3.022 -14.036 1.00 0.00 H new ATOM 0 HB2 PRO A 63 22.322 2.539 -16.662 1.00 0.00 H new ATOM 0 HB3 PRO A 63 22.015 1.393 -15.372 1.00 0.00 H new ATOM 0 HG2 PRO A 63 20.569 1.376 -17.654 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.866 0.914 -16.117 1.00 0.00 H new ATOM 0 HD2 PRO A 63 19.336 3.354 -17.737 1.00 0.00 H new ATOM 0 HD3 PRO A 63 18.364 2.666 -16.451 1.00 0.00 H new ATOM 922 N GLU A 64 22.480 5.173 -15.869 1.00 0.00 N ATOM 923 CA GLU A 64 23.527 6.186 -15.795 1.00 0.00 C ATOM 924 C GLU A 64 23.200 7.222 -14.724 1.00 0.00 C ATOM 925 O GLU A 64 24.073 7.638 -13.963 1.00 0.00 O ATOM 926 CB GLU A 64 23.678 6.881 -17.150 1.00 0.00 C ATOM 927 CG GLU A 64 24.989 7.669 -17.176 1.00 0.00 C ATOM 928 CD GLU A 64 25.203 8.279 -18.557 1.00 0.00 C ATOM 929 OE1 GLU A 64 24.253 8.310 -19.323 1.00 0.00 O ATOM 930 OE2 GLU A 64 26.313 8.708 -18.829 1.00 0.00 O ATOM 0 H GLU A 64 21.976 5.147 -16.755 1.00 0.00 H new ATOM 0 HA GLU A 64 24.463 5.693 -15.532 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.669 6.143 -17.952 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.835 7.550 -17.323 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.965 8.455 -16.422 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.823 7.013 -16.926 1.00 0.00 H new ATOM 937 N GLN A 65 21.938 7.636 -14.672 1.00 0.00 N ATOM 938 CA GLN A 65 21.509 8.627 -13.691 1.00 0.00 C ATOM 939 C GLN A 65 21.732 8.110 -12.272 1.00 0.00 C ATOM 940 O GLN A 65 22.572 8.629 -11.538 1.00 0.00 O ATOM 941 CB GLN A 65 20.028 8.954 -13.892 1.00 0.00 C ATOM 942 CG GLN A 65 19.862 9.821 -15.142 1.00 0.00 C ATOM 943 CD GLN A 65 18.399 10.214 -15.312 1.00 0.00 C ATOM 944 OE1 GLN A 65 17.692 10.525 -14.261 1.00 0.00 O flip ATOM 945 NE2 GLN A 65 17.887 10.239 -16.431 1.00 0.00 N flip ATOM 0 H GLN A 65 21.199 7.304 -15.292 1.00 0.00 H new ATOM 0 HA GLN A 65 22.102 9.531 -13.832 1.00 0.00 H new ATOM 0 HB2 GLN A 65 19.452 8.034 -13.995 1.00 0.00 H new ATOM 0 HB3 GLN A 65 19.638 9.478 -13.019 1.00 0.00 H new ATOM 0 HG2 GLN A 65 20.480 10.715 -15.060 1.00 0.00 H new ATOM 0 HG3 GLN A 65 20.205 9.276 -16.021 1.00 0.00 H new ATOM 0 HE21 GLN A 65 18.442 9.995 -17.251 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.908 10.503 -16.538 1.00 0.00 H new ATOM 954 N MET A 66 20.971 7.089 -11.893 1.00 0.00 N ATOM 955 CA MET A 66 21.093 6.514 -10.557 1.00 0.00 C ATOM 956 C MET A 66 22.541 6.138 -10.262 1.00 0.00 C ATOM 957 O MET A 66 23.006 6.265 -9.129 1.00 0.00 O ATOM 958 CB MET A 66 20.204 5.273 -10.439 1.00 0.00 C ATOM 959 CG MET A 66 20.683 4.196 -11.419 1.00 0.00 C ATOM 960 SD MET A 66 22.045 3.265 -10.673 1.00 0.00 S ATOM 961 CE MET A 66 21.497 1.610 -11.163 1.00 0.00 C ATOM 0 H MET A 66 20.269 6.645 -12.485 1.00 0.00 H new ATOM 0 HA MET A 66 20.772 7.261 -9.831 1.00 0.00 H new ATOM 0 HB2 MET A 66 20.234 4.889 -9.419 1.00 0.00 H new ATOM 0 HB3 MET A 66 19.167 5.535 -10.651 1.00 0.00 H new ATOM 0 HG2 MET A 66 19.862 3.524 -11.667 1.00 0.00 H new ATOM 0 HG3 MET A 66 21.011 4.657 -12.351 1.00 0.00 H new ATOM 0 HE1 MET A 66 22.208 0.868 -10.798 1.00 0.00 H new ATOM 0 HE2 MET A 66 20.514 1.411 -10.737 1.00 0.00 H new ATOM 0 HE3 MET A 66 21.439 1.553 -12.250 1.00 0.00 H new ATOM 971 N ALA A 67 23.250 5.676 -11.287 1.00 0.00 N ATOM 972 CA ALA A 67 24.646 5.285 -11.122 1.00 0.00 C ATOM 973 C ALA A 67 25.480 6.468 -10.642 1.00 0.00 C ATOM 974 O ALA A 67 26.119 6.406 -9.592 1.00 0.00 O ATOM 975 CB ALA A 67 25.204 4.768 -12.448 1.00 0.00 C ATOM 0 H ALA A 67 22.885 5.564 -12.233 1.00 0.00 H new ATOM 0 HA ALA A 67 24.696 4.493 -10.375 1.00 0.00 H new ATOM 0 HB1 ALA A 67 26.246 4.478 -12.316 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.626 3.903 -12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.138 5.553 -13.201 1.00 0.00 H new ATOM 981 N LYS A 68 25.468 7.547 -11.419 1.00 0.00 N ATOM 982 CA LYS A 68 26.228 8.740 -11.063 1.00 0.00 C ATOM 983 C LYS A 68 25.768 9.286 -9.715 1.00 0.00 C ATOM 984 O LYS A 68 26.580 9.529 -8.822 1.00 0.00 O ATOM 985 CB LYS A 68 26.048 9.814 -12.138 1.00 0.00 C ATOM 986 CG LYS A 68 26.916 11.027 -11.802 1.00 0.00 C ATOM 987 CD LYS A 68 27.037 11.927 -13.034 1.00 0.00 C ATOM 988 CE LYS A 68 27.761 13.219 -12.655 1.00 0.00 C ATOM 989 NZ LYS A 68 26.873 14.051 -11.795 1.00 0.00 N ATOM 0 H LYS A 68 24.945 7.620 -12.292 1.00 0.00 H new ATOM 0 HA LYS A 68 27.281 8.469 -10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 68 26.324 9.416 -13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 68 25.001 10.109 -12.199 1.00 0.00 H new ATOM 0 HG2 LYS A 68 26.477 11.583 -10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 68 27.905 10.701 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 68 27.583 11.410 -13.823 1.00 0.00 H new ATOM 0 HD3 LYS A 68 26.047 12.155 -13.429 1.00 0.00 H new ATOM 0 HE2 LYS A 68 28.686 12.989 -12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 68 28.037 13.771 -13.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 27.042 15.058 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 25.879 13.821 -11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 27.077 13.856 -10.794 1.00 0.00 H new ATOM 1003 N GLU A 69 24.460 9.478 -9.575 1.00 0.00 N ATOM 1004 CA GLU A 69 23.902 9.996 -8.330 1.00 0.00 C ATOM 1005 C GLU A 69 24.469 9.240 -7.133 1.00 0.00 C ATOM 1006 O GLU A 69 24.929 9.846 -6.165 1.00 0.00 O ATOM 1007 CB GLU A 69 22.379 9.862 -8.346 1.00 0.00 C ATOM 1008 CG GLU A 69 21.792 10.821 -9.385 1.00 0.00 C ATOM 1009 CD GLU A 69 21.948 12.262 -8.911 1.00 0.00 C ATOM 1010 OE1 GLU A 69 21.356 12.599 -7.897 1.00 0.00 O ATOM 1011 OE2 GLU A 69 22.655 13.008 -9.567 1.00 0.00 O ATOM 0 H GLU A 69 23.771 9.285 -10.302 1.00 0.00 H new ATOM 0 HA GLU A 69 24.173 11.048 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.096 8.836 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.973 10.086 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.297 10.687 -10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.738 10.595 -9.547 1.00 0.00 H new ATOM 1018 N MET A 70 24.433 7.914 -7.205 1.00 0.00 N ATOM 1019 CA MET A 70 24.945 7.085 -6.121 1.00 0.00 C ATOM 1020 C MET A 70 26.429 7.360 -5.892 1.00 0.00 C ATOM 1021 O MET A 70 26.839 7.729 -4.792 1.00 0.00 O ATOM 1022 CB MET A 70 24.743 5.605 -6.453 1.00 0.00 C ATOM 1023 CG MET A 70 23.266 5.243 -6.294 1.00 0.00 C ATOM 1024 SD MET A 70 22.835 5.226 -4.534 1.00 0.00 S ATOM 1025 CE MET A 70 21.606 6.556 -4.577 1.00 0.00 C ATOM 0 H MET A 70 24.057 7.393 -7.997 1.00 0.00 H new ATOM 0 HA MET A 70 24.397 7.330 -5.211 1.00 0.00 H new ATOM 0 HB2 MET A 70 25.070 5.402 -7.473 1.00 0.00 H new ATOM 0 HB3 MET A 70 25.353 4.987 -5.794 1.00 0.00 H new ATOM 0 HG2 MET A 70 22.645 5.964 -6.825 1.00 0.00 H new ATOM 0 HG3 MET A 70 23.070 4.267 -6.737 1.00 0.00 H new ATOM 0 HE1 MET A 70 21.205 6.713 -3.576 1.00 0.00 H new ATOM 0 HE2 MET A 70 22.076 7.475 -4.928 1.00 0.00 H new ATOM 0 HE3 MET A 70 20.796 6.281 -5.253 1.00 0.00 H new ATOM 1035 N SER A 71 27.229 7.176 -6.937 1.00 0.00 N ATOM 1036 CA SER A 71 28.664 7.408 -6.836 1.00 0.00 C ATOM 1037 C SER A 71 28.944 8.810 -6.306 1.00 0.00 C ATOM 1038 O SER A 71 29.981 9.057 -5.693 1.00 0.00 O ATOM 1039 CB SER A 71 29.318 7.239 -8.208 1.00 0.00 C ATOM 1040 OG SER A 71 29.327 5.862 -8.558 1.00 0.00 O ATOM 0 H SER A 71 26.911 6.869 -7.856 1.00 0.00 H new ATOM 0 HA SER A 71 29.083 6.679 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 71 28.772 7.813 -8.957 1.00 0.00 H new ATOM 0 HB3 SER A 71 30.336 7.628 -8.189 1.00 0.00 H new ATOM 0 HG SER A 71 29.744 5.751 -9.438 1.00 0.00 H new ATOM 1046 N GLU A 72 28.008 9.724 -6.545 1.00 0.00 N ATOM 1047 CA GLU A 72 28.162 11.100 -6.087 1.00 0.00 C ATOM 1048 C GLU A 72 27.721 11.232 -4.632 1.00 0.00 C ATOM 1049 O GLU A 72 28.320 11.977 -3.857 1.00 0.00 O ATOM 1050 CB GLU A 72 27.326 12.037 -6.962 1.00 0.00 C ATOM 1051 CG GLU A 72 27.993 12.188 -8.331 1.00 0.00 C ATOM 1052 CD GLU A 72 29.209 13.100 -8.221 1.00 0.00 C ATOM 1053 OE1 GLU A 72 29.043 14.226 -7.782 1.00 0.00 O ATOM 1054 OE2 GLU A 72 30.290 12.659 -8.577 1.00 0.00 O ATOM 0 H GLU A 72 27.141 9.538 -7.049 1.00 0.00 H new ATOM 0 HA GLU A 72 29.214 11.374 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 72 26.318 11.640 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 72 27.231 13.011 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 72 28.294 11.211 -8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 72 27.282 12.600 -9.047 1.00 0.00 H new ATOM 1061 N PHE A 73 26.670 10.504 -4.270 1.00 0.00 N ATOM 1062 CA PHE A 73 26.156 10.547 -2.905 1.00 0.00 C ATOM 1063 C PHE A 73 27.056 9.748 -1.968 1.00 0.00 C ATOM 1064 O PHE A 73 27.509 10.257 -0.943 1.00 0.00 O ATOM 1065 CB PHE A 73 24.737 9.977 -2.864 1.00 0.00 C ATOM 1066 CG PHE A 73 24.098 10.312 -1.537 1.00 0.00 C ATOM 1067 CD1 PHE A 73 23.445 11.538 -1.364 1.00 0.00 C ATOM 1068 CD2 PHE A 73 24.158 9.396 -0.480 1.00 0.00 C ATOM 1069 CE1 PHE A 73 22.852 11.848 -0.135 1.00 0.00 C ATOM 1070 CE2 PHE A 73 23.566 9.706 0.750 1.00 0.00 C ATOM 1071 CZ PHE A 73 22.913 10.932 0.922 1.00 0.00 C ATOM 0 H PHE A 73 26.160 9.881 -4.897 1.00 0.00 H new ATOM 0 HA PHE A 73 26.139 11.586 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 73 24.144 10.390 -3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 73 24.763 8.896 -3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 73 23.399 12.245 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 73 24.661 8.450 -0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.347 12.794 -0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 73 23.613 9.000 1.566 1.00 0.00 H new ATOM 0 HZ PHE A 73 22.456 11.172 1.871 1.00 0.00 H new ATOM 1081 N LEU A 74 27.310 8.494 -2.326 1.00 0.00 N ATOM 1082 CA LEU A 74 28.157 7.633 -1.508 1.00 0.00 C ATOM 1083 C LEU A 74 29.496 8.308 -1.232 1.00 0.00 C ATOM 1084 O LEU A 74 30.084 8.130 -0.165 1.00 0.00 O ATOM 1085 CB LEU A 74 28.394 6.299 -2.222 1.00 0.00 C ATOM 1086 CG LEU A 74 27.051 5.633 -2.539 1.00 0.00 C ATOM 1087 CD1 LEU A 74 27.256 4.549 -3.598 1.00 0.00 C ATOM 1088 CD2 LEU A 74 26.472 4.998 -1.270 1.00 0.00 C ATOM 0 H LEU A 74 26.945 8.053 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 74 27.650 7.452 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.955 6.463 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.997 5.642 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 74 26.358 6.387 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 74 26.301 4.075 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 74 27.661 4.998 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 74 27.953 3.800 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 74 25.517 4.526 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 74 27.165 4.247 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.322 5.768 -0.514 1.00 0.00 H new