USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 688 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 70 THR OG1 : rot 113:sc= 0.994 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.0191 K(o=0.97,f=-1.8!) USER MOD Single : A 4 THR OG1 : rot 30:sc= 0.267 USER MOD Single : A 10 THR OG1 : rot 84:sc= 0.566 USER MOD Single : A 15 THR OG1 : rot 78:sc= 0.946 USER MOD Single : A 16 CYS SG : rot -38:sc= -0.415 USER MOD Single : A 22 THR OG1 : rot -51:sc= 1.26 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-9.4!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0857 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 81:sc= 0.739 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00163 USER MOD Single : A 74 TYR OH : rot -102:sc= 0.33 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.655 K(o=-0.65,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ -100:sc= 1.04 (180deg=-0.57) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -7.135 -2.823 2.243 1.00 0.00 N ATOM 46 CA THR A 4 -5.715 -2.492 2.459 1.00 0.00 C ATOM 47 C THR A 4 -5.331 -1.187 1.728 1.00 0.00 C ATOM 48 O THR A 4 -4.544 -0.403 2.251 1.00 0.00 O ATOM 49 CB THR A 4 -4.796 -3.668 1.984 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.314 -4.907 2.494 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.334 -3.509 2.450 1.00 0.00 C ATOM 0 HA THR A 4 -5.567 -2.341 3.528 1.00 0.00 H new ATOM 0 HB THR A 4 -4.796 -3.658 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.287 -4.840 2.590 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.744 -4.353 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.923 -2.582 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.300 -3.479 3.539 1.00 0.00 H new ATOM 59 N PHE A 5 -5.939 -0.944 0.538 1.00 0.00 N ATOM 60 CA PHE A 5 -5.757 0.313 -0.217 1.00 0.00 C ATOM 61 C PHE A 5 -6.161 1.535 0.631 1.00 0.00 C ATOM 62 O PHE A 5 -5.415 2.501 0.698 1.00 0.00 O ATOM 63 CB PHE A 5 -6.564 0.306 -1.548 1.00 0.00 C ATOM 64 CG PHE A 5 -6.617 1.685 -2.229 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.494 2.212 -2.865 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.764 2.487 -2.155 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.521 3.481 -3.407 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.785 3.749 -2.712 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.661 4.248 -3.331 1.00 0.00 C ATOM 0 H PHE A 5 -6.563 -1.610 0.082 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.697 0.386 -0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.117 -0.414 -2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.580 -0.033 -1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.593 1.621 -2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.644 2.112 -1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.641 3.875 -3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.684 4.346 -2.662 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.674 5.241 -3.757 1.00 0.00 H new ATOM 79 N ASP A 6 -7.352 1.470 1.255 1.00 0.00 N ATOM 80 CA ASP A 6 -7.894 2.568 2.103 1.00 0.00 C ATOM 81 C ASP A 6 -6.889 2.966 3.188 1.00 0.00 C ATOM 82 O ASP A 6 -6.621 4.160 3.407 1.00 0.00 O ATOM 83 CB ASP A 6 -9.242 2.157 2.758 1.00 0.00 C ATOM 84 CG ASP A 6 -10.411 2.057 1.760 1.00 0.00 C ATOM 85 OD1 ASP A 6 -10.227 1.505 0.650 1.00 0.00 O ATOM 86 OD2 ASP A 6 -11.529 2.519 2.083 1.00 0.00 O ATOM 0 H ASP A 6 -7.970 0.661 1.191 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.071 3.426 1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.116 1.195 3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.497 2.883 3.530 1.00 0.00 H new ATOM 91 N ARG A 7 -6.311 1.935 3.815 1.00 0.00 N ATOM 92 CA ARG A 7 -5.236 2.088 4.803 1.00 0.00 C ATOM 93 C ARG A 7 -3.983 2.777 4.212 1.00 0.00 C ATOM 94 O ARG A 7 -3.545 3.802 4.736 1.00 0.00 O ATOM 95 CB ARG A 7 -4.864 0.705 5.400 1.00 0.00 C ATOM 96 CG ARG A 7 -5.828 0.193 6.486 1.00 0.00 C ATOM 97 CD ARG A 7 -5.795 1.082 7.749 1.00 0.00 C ATOM 98 NE ARG A 7 -6.507 0.485 8.893 1.00 0.00 N ATOM 99 CZ ARG A 7 -5.993 -0.423 9.736 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.802 -0.984 9.513 1.00 0.00 N ATOM 101 NH2 ARG A 7 -6.683 -0.770 10.808 1.00 0.00 N ATOM 0 H ARG A 7 -6.578 0.964 3.650 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.611 2.738 5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.827 -0.026 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.861 0.765 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.842 0.165 6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.563 -0.830 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.758 1.266 8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.239 2.050 7.517 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.468 0.786 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.263 -0.724 8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.432 -1.672 10.168 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.595 -0.349 10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.304 -1.459 11.457 1.00 0.00 H new ATOM 115 N VAL A 8 -3.453 2.231 3.098 1.00 0.00 N ATOM 116 CA VAL A 8 -2.166 2.671 2.505 1.00 0.00 C ATOM 117 C VAL A 8 -2.273 4.105 1.934 1.00 0.00 C ATOM 118 O VAL A 8 -1.352 4.902 2.082 1.00 0.00 O ATOM 119 CB VAL A 8 -1.693 1.668 1.382 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.399 2.152 0.670 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.489 0.253 1.974 1.00 0.00 C ATOM 0 H VAL A 8 -3.902 1.474 2.582 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.421 2.677 3.301 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.480 1.630 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.112 1.430 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.581 3.120 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.405 2.246 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.163 -0.427 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.732 0.292 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.429 -0.104 2.396 1.00 0.00 H new ATOM 131 N ALA A 9 -3.421 4.408 1.314 1.00 0.00 N ATOM 132 CA ALA A 9 -3.743 5.733 0.739 1.00 0.00 C ATOM 133 C ALA A 9 -3.692 6.812 1.826 1.00 0.00 C ATOM 134 O ALA A 9 -3.118 7.891 1.622 1.00 0.00 O ATOM 135 CB ALA A 9 -5.135 5.716 0.066 1.00 0.00 C ATOM 0 H ALA A 9 -4.172 3.728 1.192 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.998 5.965 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.350 6.700 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.144 4.975 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.894 5.461 0.806 1.00 0.00 H new ATOM 141 N THR A 10 -4.290 6.486 2.986 1.00 0.00 N ATOM 142 CA THR A 10 -4.275 7.364 4.167 1.00 0.00 C ATOM 143 C THR A 10 -2.849 7.513 4.746 1.00 0.00 C ATOM 144 O THR A 10 -2.466 8.608 5.134 1.00 0.00 O ATOM 145 CB THR A 10 -5.270 6.860 5.261 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.595 6.812 4.707 1.00 0.00 O ATOM 147 CG2 THR A 10 -5.286 7.744 6.529 1.00 0.00 C ATOM 0 H THR A 10 -4.794 5.611 3.130 1.00 0.00 H new ATOM 0 HA THR A 10 -4.605 8.350 3.841 1.00 0.00 H new ATOM 0 HB THR A 10 -4.930 5.870 5.566 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.718 5.967 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.998 7.337 7.247 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.291 7.760 6.974 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.580 8.759 6.261 1.00 0.00 H new ATOM 155 N ILE A 11 -2.064 6.418 4.793 1.00 0.00 N ATOM 156 CA ILE A 11 -0.656 6.479 5.264 1.00 0.00 C ATOM 157 C ILE A 11 0.193 7.423 4.382 1.00 0.00 C ATOM 158 O ILE A 11 0.867 8.307 4.909 1.00 0.00 O ATOM 159 CB ILE A 11 0.003 5.052 5.330 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.781 4.133 6.323 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.505 5.134 5.727 1.00 0.00 C ATOM 162 CD1 ILE A 11 -0.328 2.677 6.358 1.00 0.00 C ATOM 0 H ILE A 11 -2.373 5.487 4.514 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.681 6.883 6.276 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.050 4.615 4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.690 4.549 7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.839 4.161 6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.927 4.130 5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.044 5.728 4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.597 5.601 6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.933 2.125 7.077 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.446 2.235 5.369 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.720 2.629 6.654 1.00 0.00 H new ATOM 174 N ILE A 12 0.122 7.245 3.049 1.00 0.00 N ATOM 175 CA ILE A 12 0.848 8.103 2.086 1.00 0.00 C ATOM 176 C ILE A 12 0.420 9.579 2.259 1.00 0.00 C ATOM 177 O ILE A 12 1.263 10.485 2.220 1.00 0.00 O ATOM 178 CB ILE A 12 0.622 7.647 0.594 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.095 6.172 0.388 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.339 8.590 -0.407 1.00 0.00 C ATOM 181 CD1 ILE A 12 0.983 5.638 -1.033 1.00 0.00 C ATOM 0 H ILE A 12 -0.434 6.511 2.610 1.00 0.00 H new ATOM 0 HA ILE A 12 1.912 8.003 2.301 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.448 7.702 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.135 6.095 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.513 5.527 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.160 8.244 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.951 9.602 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.410 8.588 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.337 4.608 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.058 5.673 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.589 6.250 -1.701 1.00 0.00 H new ATOM 193 N ALA A 13 -0.893 9.788 2.463 1.00 0.00 N ATOM 194 CA ALA A 13 -1.471 11.099 2.793 1.00 0.00 C ATOM 195 C ALA A 13 -0.798 11.750 4.015 1.00 0.00 C ATOM 196 O ALA A 13 -0.205 12.829 3.904 1.00 0.00 O ATOM 197 CB ALA A 13 -2.985 10.962 3.035 1.00 0.00 C ATOM 0 H ALA A 13 -1.587 9.043 2.402 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.291 11.754 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.404 11.938 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.464 10.576 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.160 10.275 3.863 1.00 0.00 H new ATOM 203 N GLU A 14 -0.870 11.065 5.167 1.00 0.00 N ATOM 204 CA GLU A 14 -0.406 11.605 6.457 1.00 0.00 C ATOM 205 C GLU A 14 1.118 11.830 6.478 1.00 0.00 C ATOM 206 O GLU A 14 1.599 12.792 7.087 1.00 0.00 O ATOM 207 CB GLU A 14 -0.823 10.667 7.617 1.00 0.00 C ATOM 208 CG GLU A 14 -2.337 10.399 7.745 1.00 0.00 C ATOM 209 CD GLU A 14 -3.173 11.679 7.902 1.00 0.00 C ATOM 210 OE1 GLU A 14 -3.295 12.190 9.035 1.00 0.00 O ATOM 211 OE2 GLU A 14 -3.703 12.194 6.890 1.00 0.00 O ATOM 0 H GLU A 14 -1.251 10.121 5.232 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.882 12.576 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.313 9.712 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.468 11.096 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.678 9.857 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.512 9.752 8.604 1.00 0.00 H new ATOM 218 N THR A 15 1.858 10.944 5.786 1.00 0.00 N ATOM 219 CA THR A 15 3.322 11.001 5.717 1.00 0.00 C ATOM 220 C THR A 15 3.770 12.170 4.822 1.00 0.00 C ATOM 221 O THR A 15 4.447 13.087 5.284 1.00 0.00 O ATOM 222 CB THR A 15 3.928 9.658 5.175 1.00 0.00 C ATOM 223 OG1 THR A 15 3.466 8.555 5.971 1.00 0.00 O ATOM 224 CG2 THR A 15 5.468 9.676 5.175 1.00 0.00 C ATOM 0 H THR A 15 1.453 10.169 5.260 1.00 0.00 H new ATOM 0 HA THR A 15 3.692 11.156 6.731 1.00 0.00 H new ATOM 0 HB THR A 15 3.593 9.544 4.144 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.550 8.324 5.710 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.843 8.727 4.792 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.822 10.489 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.830 9.825 6.192 1.00 0.00 H new ATOM 232 N CYS A 16 3.335 12.161 3.554 1.00 0.00 N ATOM 233 CA CYS A 16 3.830 13.093 2.526 1.00 0.00 C ATOM 234 C CYS A 16 3.085 14.444 2.537 1.00 0.00 C ATOM 235 O CYS A 16 3.379 15.315 1.710 1.00 0.00 O ATOM 236 CB CYS A 16 3.696 12.415 1.149 1.00 0.00 C ATOM 237 SG CYS A 16 4.542 13.275 -0.192 1.00 0.00 S ATOM 0 H CYS A 16 2.630 11.508 3.210 1.00 0.00 H new ATOM 0 HA CYS A 16 4.874 13.320 2.744 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.088 11.400 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.638 12.332 0.900 1.00 0.00 H new ATOM 0 HG CYS A 16 4.425 14.559 -0.026 1.00 0.00 H new ATOM 243 N ASP A 17 2.155 14.623 3.505 1.00 0.00 N ATOM 244 CA ASP A 17 1.309 15.828 3.638 1.00 0.00 C ATOM 245 C ASP A 17 0.534 16.122 2.340 1.00 0.00 C ATOM 246 O ASP A 17 0.778 17.127 1.654 1.00 0.00 O ATOM 247 CB ASP A 17 2.136 17.052 4.124 1.00 0.00 C ATOM 248 CG ASP A 17 2.822 16.799 5.479 1.00 0.00 C ATOM 249 OD1 ASP A 17 3.960 16.276 5.499 1.00 0.00 O ATOM 250 OD2 ASP A 17 2.228 17.117 6.529 1.00 0.00 O ATOM 0 H ASP A 17 1.971 13.924 4.224 1.00 0.00 H new ATOM 0 HA ASP A 17 0.564 15.626 4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.892 17.295 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.481 17.919 4.208 1.00 0.00 H new ATOM 255 N ILE A 18 -0.385 15.201 2.010 1.00 0.00 N ATOM 256 CA ILE A 18 -1.233 15.251 0.800 1.00 0.00 C ATOM 257 C ILE A 18 -2.624 14.660 1.134 1.00 0.00 C ATOM 258 O ILE A 18 -2.761 13.984 2.156 1.00 0.00 O ATOM 259 CB ILE A 18 -0.562 14.503 -0.435 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.001 13.096 -0.034 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.540 15.382 -1.080 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.634 12.309 -1.176 1.00 0.00 C ATOM 0 H ILE A 18 -0.566 14.380 2.588 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.346 16.292 0.496 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.343 14.336 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.741 13.228 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.813 12.504 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.984 14.850 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.101 16.316 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.311 15.599 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.993 11.350 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.107 12.139 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.471 12.874 -1.586 1.00 0.00 H new ATOM 274 N PRO A 19 -3.700 14.971 0.342 1.00 0.00 N ATOM 275 CA PRO A 19 -5.045 14.360 0.533 1.00 0.00 C ATOM 276 C PRO A 19 -5.091 12.898 0.021 1.00 0.00 C ATOM 277 O PRO A 19 -4.650 12.638 -1.092 1.00 0.00 O ATOM 278 CB PRO A 19 -5.985 15.287 -0.308 1.00 0.00 C ATOM 279 CG PRO A 19 -5.147 16.474 -0.694 1.00 0.00 C ATOM 280 CD PRO A 19 -3.730 15.964 -0.764 1.00 0.00 C ATOM 0 HA PRO A 19 -5.332 14.298 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.359 14.768 -1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.854 15.594 0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.464 16.883 -1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.240 17.275 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.509 15.506 -1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.002 16.762 -0.615 1.00 0.00 H new ATOM 288 N ARG A 20 -5.665 11.953 0.809 1.00 0.00 N ATOM 289 CA ARG A 20 -5.691 10.504 0.438 1.00 0.00 C ATOM 290 C ARG A 20 -6.554 10.216 -0.802 1.00 0.00 C ATOM 291 O ARG A 20 -6.381 9.183 -1.457 1.00 0.00 O ATOM 292 CB ARG A 20 -6.112 9.590 1.648 1.00 0.00 C ATOM 293 CG ARG A 20 -7.493 9.843 2.324 1.00 0.00 C ATOM 294 CD ARG A 20 -8.713 9.322 1.528 1.00 0.00 C ATOM 295 NE ARG A 20 -9.971 9.394 2.292 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.628 10.523 2.624 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.186 11.725 2.263 1.00 0.00 N ATOM 298 NH2 ARG A 20 -11.743 10.436 3.325 1.00 0.00 N ATOM 0 H ARG A 20 -6.115 12.161 1.701 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.665 10.250 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.096 8.556 1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.345 9.683 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.491 9.373 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.612 10.915 2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.817 9.903 0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.533 8.289 1.232 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.381 8.511 2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.327 11.810 1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.706 12.561 2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.097 9.522 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.250 11.282 3.583 1.00 0.00 H new ATOM 312 N GLU A 21 -7.447 11.159 -1.134 1.00 0.00 N ATOM 313 CA GLU A 21 -8.425 11.003 -2.219 1.00 0.00 C ATOM 314 C GLU A 21 -7.763 11.322 -3.569 1.00 0.00 C ATOM 315 O GLU A 21 -8.271 10.914 -4.622 1.00 0.00 O ATOM 316 CB GLU A 21 -9.679 11.903 -1.989 1.00 0.00 C ATOM 317 CG GLU A 21 -9.399 13.410 -1.702 1.00 0.00 C ATOM 318 CD GLU A 21 -9.377 13.775 -0.197 1.00 0.00 C ATOM 319 OE1 GLU A 21 -8.505 13.265 0.539 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.242 14.557 0.262 1.00 0.00 O ATOM 0 H GLU A 21 -7.511 12.057 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.766 9.968 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.317 11.834 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.246 11.494 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.440 13.681 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.160 14.011 -2.199 1.00 0.00 H new ATOM 327 N THR A 22 -6.621 12.058 -3.533 1.00 0.00 N ATOM 328 CA THR A 22 -5.807 12.317 -4.732 1.00 0.00 C ATOM 329 C THR A 22 -4.912 11.097 -5.065 1.00 0.00 C ATOM 330 O THR A 22 -4.265 11.071 -6.111 1.00 0.00 O ATOM 331 CB THR A 22 -4.932 13.616 -4.573 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.944 13.455 -3.545 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.799 14.851 -4.254 1.00 0.00 C ATOM 0 H THR A 22 -6.250 12.479 -2.681 1.00 0.00 H new ATOM 0 HA THR A 22 -6.495 12.481 -5.562 1.00 0.00 H new ATOM 0 HB THR A 22 -4.433 13.775 -5.529 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.375 13.138 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.160 15.728 -4.151 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.512 15.014 -5.063 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.340 14.685 -3.322 1.00 0.00 H new ATOM 341 N ILE A 23 -4.886 10.094 -4.158 1.00 0.00 N ATOM 342 CA ILE A 23 -4.203 8.803 -4.365 1.00 0.00 C ATOM 343 C ILE A 23 -5.247 7.798 -4.918 1.00 0.00 C ATOM 344 O ILE A 23 -6.210 7.476 -4.221 1.00 0.00 O ATOM 345 CB ILE A 23 -3.580 8.257 -3.003 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.321 9.068 -2.539 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.237 6.759 -3.090 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.577 10.486 -2.081 1.00 0.00 C ATOM 0 H ILE A 23 -5.346 10.163 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.381 8.930 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.357 8.396 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.844 8.525 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.608 9.097 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.815 6.427 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.142 6.190 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.511 6.598 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.635 10.948 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.021 11.057 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.260 10.476 -1.231 1.00 0.00 H new ATOM 360 N THR A 24 -5.072 7.344 -6.176 1.00 0.00 N ATOM 361 CA THR A 24 -5.984 6.364 -6.825 1.00 0.00 C ATOM 362 C THR A 24 -5.373 4.941 -6.777 1.00 0.00 C ATOM 363 O THR A 24 -4.159 4.808 -6.577 1.00 0.00 O ATOM 364 CB THR A 24 -6.276 6.781 -8.311 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.053 6.849 -9.057 1.00 0.00 O ATOM 366 CG2 THR A 24 -6.994 8.137 -8.390 1.00 0.00 C ATOM 0 H THR A 24 -4.300 7.641 -6.773 1.00 0.00 H new ATOM 0 HA THR A 24 -6.926 6.357 -6.276 1.00 0.00 H new ATOM 0 HB THR A 24 -6.929 6.021 -8.739 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.248 7.108 -9.982 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.178 8.391 -9.434 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.943 8.078 -7.858 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.370 8.906 -7.934 1.00 0.00 H new ATOM 374 N PRO A 25 -6.199 3.839 -6.947 1.00 0.00 N ATOM 375 CA PRO A 25 -5.683 2.443 -6.972 1.00 0.00 C ATOM 376 C PRO A 25 -4.763 2.171 -8.179 1.00 0.00 C ATOM 377 O PRO A 25 -3.874 1.315 -8.113 1.00 0.00 O ATOM 378 CB PRO A 25 -6.965 1.562 -7.024 1.00 0.00 C ATOM 379 CG PRO A 25 -8.071 2.473 -6.588 1.00 0.00 C ATOM 380 CD PRO A 25 -7.685 3.845 -7.086 1.00 0.00 C ATOM 0 HA PRO A 25 -5.060 2.231 -6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.141 1.178 -8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.879 0.699 -6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.027 2.158 -7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.181 2.466 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.994 4.002 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.144 4.635 -6.492 1.00 0.00 H new ATOM 388 N GLU A 26 -4.962 2.942 -9.266 1.00 0.00 N ATOM 389 CA GLU A 26 -4.200 2.796 -10.526 1.00 0.00 C ATOM 390 C GLU A 26 -2.956 3.711 -10.533 1.00 0.00 C ATOM 391 O GLU A 26 -2.203 3.728 -11.512 1.00 0.00 O ATOM 392 CB GLU A 26 -5.127 3.126 -11.733 1.00 0.00 C ATOM 393 CG GLU A 26 -5.753 4.542 -11.698 1.00 0.00 C ATOM 394 CD GLU A 26 -6.640 4.844 -12.919 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.829 4.453 -12.916 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.159 5.466 -13.889 1.00 0.00 O ATOM 0 H GLU A 26 -5.658 3.687 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.853 1.766 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.554 3.019 -12.654 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.929 2.389 -11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.348 4.647 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.956 5.283 -11.644 1.00 0.00 H new ATOM 403 N SER A 27 -2.739 4.441 -9.420 1.00 0.00 N ATOM 404 CA SER A 27 -1.660 5.434 -9.303 1.00 0.00 C ATOM 405 C SER A 27 -0.336 4.774 -8.934 1.00 0.00 C ATOM 406 O SER A 27 -0.299 3.899 -8.076 1.00 0.00 O ATOM 407 CB SER A 27 -2.002 6.483 -8.220 1.00 0.00 C ATOM 408 OG SER A 27 -0.959 7.440 -8.050 1.00 0.00 O ATOM 0 H SER A 27 -3.309 4.356 -8.578 1.00 0.00 H new ATOM 0 HA SER A 27 -1.563 5.918 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.924 6.997 -8.492 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.187 5.977 -7.272 1.00 0.00 H new ATOM 0 HG SER A 27 -1.216 8.085 -7.358 1.00 0.00 H new ATOM 414 N HIS A 28 0.741 5.225 -9.585 1.00 0.00 N ATOM 415 CA HIS A 28 2.113 4.949 -9.165 1.00 0.00 C ATOM 416 C HIS A 28 2.485 5.966 -8.067 1.00 0.00 C ATOM 417 O HIS A 28 2.572 7.174 -8.342 1.00 0.00 O ATOM 418 CB HIS A 28 3.066 5.054 -10.380 1.00 0.00 C ATOM 419 CG HIS A 28 4.426 4.442 -10.158 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.437 5.114 -9.520 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.879 3.230 -10.529 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.472 4.290 -9.526 1.00 0.00 C ATOM 423 NE2 HIS A 28 6.183 3.138 -10.131 1.00 0.00 N ATOM 0 H HIS A 28 0.681 5.798 -10.427 1.00 0.00 H new ATOM 0 HA HIS A 28 2.203 3.938 -8.767 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.598 4.569 -11.237 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.192 6.105 -10.638 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.315 2.469 -11.047 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.434 4.522 -9.093 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.810 2.346 -10.269 1.00 0.00 H new ATOM 431 N ALA A 29 2.658 5.479 -6.824 1.00 0.00 N ATOM 432 CA ALA A 29 2.918 6.318 -5.633 1.00 0.00 C ATOM 433 C ALA A 29 4.172 7.215 -5.758 1.00 0.00 C ATOM 434 O ALA A 29 4.305 8.214 -5.042 1.00 0.00 O ATOM 435 CB ALA A 29 3.041 5.405 -4.404 1.00 0.00 C ATOM 0 H ALA A 29 2.621 4.482 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 29 2.076 7.003 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.233 6.011 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.113 4.849 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.864 4.706 -4.551 1.00 0.00 H new ATOM 441 N ILE A 30 5.079 6.854 -6.673 1.00 0.00 N ATOM 442 CA ILE A 30 6.351 7.566 -6.885 1.00 0.00 C ATOM 443 C ILE A 30 6.245 8.521 -8.102 1.00 0.00 C ATOM 444 O ILE A 30 6.694 9.674 -8.038 1.00 0.00 O ATOM 445 CB ILE A 30 7.513 6.508 -7.046 1.00 0.00 C ATOM 446 CG1 ILE A 30 7.719 5.732 -5.699 1.00 0.00 C ATOM 447 CG2 ILE A 30 8.843 7.120 -7.559 1.00 0.00 C ATOM 448 CD1 ILE A 30 8.730 4.603 -5.757 1.00 0.00 C ATOM 0 H ILE A 30 4.953 6.054 -7.293 1.00 0.00 H new ATOM 0 HA ILE A 30 6.579 8.191 -6.021 1.00 0.00 H new ATOM 0 HB ILE A 30 7.202 5.808 -7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.033 6.441 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.759 5.324 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.595 6.336 -7.645 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.681 7.576 -8.536 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.189 7.879 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.802 4.128 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.411 3.867 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.705 5.001 -6.039 1.00 0.00 H new ATOM 460 N ASP A 31 5.592 8.050 -9.181 1.00 0.00 N ATOM 461 CA ASP A 31 5.526 8.773 -10.478 1.00 0.00 C ATOM 462 C ASP A 31 4.463 9.897 -10.468 1.00 0.00 C ATOM 463 O ASP A 31 4.775 11.045 -10.797 1.00 0.00 O ATOM 464 CB ASP A 31 5.249 7.775 -11.636 1.00 0.00 C ATOM 465 CG ASP A 31 5.277 8.423 -13.037 1.00 0.00 C ATOM 466 OD1 ASP A 31 6.377 8.763 -13.518 1.00 0.00 O ATOM 467 OD2 ASP A 31 4.206 8.595 -13.662 1.00 0.00 O ATOM 0 H ASP A 31 5.094 7.160 -9.185 1.00 0.00 H new ATOM 0 HA ASP A 31 6.495 9.248 -10.636 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.990 6.977 -11.600 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.275 7.312 -11.479 1.00 0.00 H new ATOM 472 N ASP A 32 3.218 9.561 -10.074 1.00 0.00 N ATOM 473 CA ASP A 32 2.067 10.501 -10.141 1.00 0.00 C ATOM 474 C ASP A 32 2.146 11.547 -9.036 1.00 0.00 C ATOM 475 O ASP A 32 2.006 12.753 -9.279 1.00 0.00 O ATOM 476 CB ASP A 32 0.719 9.743 -10.028 1.00 0.00 C ATOM 477 CG ASP A 32 0.427 8.879 -11.254 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.272 9.440 -12.360 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.358 7.647 -11.125 1.00 0.00 O ATOM 0 H ASP A 32 2.977 8.642 -9.703 1.00 0.00 H new ATOM 0 HA ASP A 32 2.117 11.000 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.734 9.113 -9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.089 10.463 -9.895 1.00 0.00 H new ATOM 484 N LEU A 33 2.372 11.056 -7.814 1.00 0.00 N ATOM 485 CA LEU A 33 2.414 11.898 -6.609 1.00 0.00 C ATOM 486 C LEU A 33 3.707 12.742 -6.553 1.00 0.00 C ATOM 487 O LEU A 33 3.802 13.679 -5.757 1.00 0.00 O ATOM 488 CB LEU A 33 2.273 11.000 -5.354 1.00 0.00 C ATOM 489 CG LEU A 33 1.008 10.076 -5.311 1.00 0.00 C ATOM 490 CD1 LEU A 33 1.037 9.151 -4.079 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.306 10.897 -5.358 1.00 0.00 C ATOM 0 H LEU A 33 2.531 10.066 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 33 1.582 12.601 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.161 10.372 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.261 11.641 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 33 1.034 9.451 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.147 8.522 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.926 8.522 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.058 9.754 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.159 10.220 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.345 11.570 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.339 11.479 -6.279 1.00 0.00 H new ATOM 503 N GLY A 34 4.688 12.403 -7.420 1.00 0.00 N ATOM 504 CA GLY A 34 5.972 13.114 -7.488 1.00 0.00 C ATOM 505 C GLY A 34 6.818 12.919 -6.236 1.00 0.00 C ATOM 506 O GLY A 34 7.513 13.833 -5.783 1.00 0.00 O ATOM 0 H GLY A 34 4.607 11.634 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.530 12.765 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.786 14.178 -7.634 1.00 0.00 H new ATOM 510 N ILE A 35 6.730 11.712 -5.671 1.00 0.00 N ATOM 511 CA ILE A 35 7.450 11.318 -4.459 1.00 0.00 C ATOM 512 C ILE A 35 8.670 10.514 -4.902 1.00 0.00 C ATOM 513 O ILE A 35 8.511 9.576 -5.676 1.00 0.00 O ATOM 514 CB ILE A 35 6.527 10.443 -3.528 1.00 0.00 C ATOM 515 CG1 ILE A 35 5.277 11.267 -3.069 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.307 9.866 -2.313 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.259 10.487 -2.256 1.00 0.00 C ATOM 0 H ILE A 35 6.145 10.968 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 35 7.751 12.197 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 35 6.180 9.589 -4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.618 12.117 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.782 11.671 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.633 9.270 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.124 9.238 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.712 10.685 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.431 11.142 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.883 9.653 -2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.731 10.106 -1.351 1.00 0.00 H new ATOM 529 N ASP A 36 9.879 10.903 -4.463 1.00 0.00 N ATOM 530 CA ASP A 36 11.116 10.151 -4.780 1.00 0.00 C ATOM 531 C ASP A 36 11.045 8.723 -4.214 1.00 0.00 C ATOM 532 O ASP A 36 10.349 8.482 -3.227 1.00 0.00 O ATOM 533 CB ASP A 36 12.367 10.881 -4.220 1.00 0.00 C ATOM 534 CG ASP A 36 12.557 12.298 -4.802 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.975 12.417 -5.973 1.00 0.00 O ATOM 536 OD2 ASP A 36 12.275 13.294 -4.100 1.00 0.00 O ATOM 0 H ASP A 36 10.031 11.732 -3.888 1.00 0.00 H new ATOM 0 HA ASP A 36 11.203 10.095 -5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.284 10.949 -3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.254 10.285 -4.435 1.00 0.00 H new ATOM 541 N SER A 37 11.770 7.785 -4.844 1.00 0.00 N ATOM 542 CA SER A 37 11.867 6.395 -4.371 1.00 0.00 C ATOM 543 C SER A 37 12.550 6.355 -2.985 1.00 0.00 C ATOM 544 O SER A 37 12.227 5.501 -2.150 1.00 0.00 O ATOM 545 CB SER A 37 12.638 5.539 -5.402 1.00 0.00 C ATOM 546 OG SER A 37 12.020 5.592 -6.685 1.00 0.00 O ATOM 0 H SER A 37 12.304 7.968 -5.693 1.00 0.00 H new ATOM 0 HA SER A 37 10.866 5.977 -4.266 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.666 5.894 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.682 4.505 -5.059 1.00 0.00 H new ATOM 0 HG SER A 37 12.530 5.043 -7.317 1.00 0.00 H new ATOM 552 N LEU A 38 13.437 7.350 -2.736 1.00 0.00 N ATOM 553 CA LEU A 38 14.152 7.507 -1.458 1.00 0.00 C ATOM 554 C LEU A 38 13.191 8.055 -0.380 1.00 0.00 C ATOM 555 O LEU A 38 13.228 7.631 0.778 1.00 0.00 O ATOM 556 CB LEU A 38 15.361 8.462 -1.622 1.00 0.00 C ATOM 557 CG LEU A 38 16.433 8.059 -2.679 1.00 0.00 C ATOM 558 CD1 LEU A 38 17.569 9.104 -2.720 1.00 0.00 C ATOM 559 CD2 LEU A 38 16.985 6.638 -2.416 1.00 0.00 C ATOM 0 H LEU A 38 13.673 8.066 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 38 14.522 6.530 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.981 9.450 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.855 8.555 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 38 15.951 8.039 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 38 18.309 8.808 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 38 17.158 10.078 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.043 9.165 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.730 6.391 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.445 6.604 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.169 5.917 -2.461 1.00 0.00 H new ATOM 571 N ASP A 39 12.322 8.994 -0.798 1.00 0.00 N ATOM 572 CA ASP A 39 11.295 9.607 0.077 1.00 0.00 C ATOM 573 C ASP A 39 10.158 8.596 0.351 1.00 0.00 C ATOM 574 O ASP A 39 9.488 8.653 1.390 1.00 0.00 O ATOM 575 CB ASP A 39 10.748 10.904 -0.588 1.00 0.00 C ATOM 576 CG ASP A 39 9.837 11.746 0.332 1.00 0.00 C ATOM 577 OD1 ASP A 39 10.358 12.547 1.146 1.00 0.00 O ATOM 578 OD2 ASP A 39 8.599 11.624 0.241 1.00 0.00 O ATOM 0 H ASP A 39 12.309 9.352 -1.753 1.00 0.00 H new ATOM 0 HA ASP A 39 11.743 9.874 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.589 11.518 -0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.191 10.633 -1.485 1.00 0.00 H new ATOM 583 N PHE A 40 9.969 7.658 -0.593 1.00 0.00 N ATOM 584 CA PHE A 40 8.976 6.578 -0.484 1.00 0.00 C ATOM 585 C PHE A 40 9.450 5.508 0.519 1.00 0.00 C ATOM 586 O PHE A 40 8.626 4.822 1.121 1.00 0.00 O ATOM 587 CB PHE A 40 8.706 5.954 -1.874 1.00 0.00 C ATOM 588 CG PHE A 40 7.637 4.862 -1.869 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.283 5.192 -1.826 1.00 0.00 C ATOM 590 CD2 PHE A 40 7.984 3.505 -1.877 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.315 4.207 -1.797 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.013 2.525 -1.850 1.00 0.00 C ATOM 593 CZ PHE A 40 5.681 2.877 -1.807 1.00 0.00 C ATOM 0 H PHE A 40 10.506 7.629 -1.460 1.00 0.00 H new ATOM 0 HA PHE A 40 8.042 6.998 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.402 6.743 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.636 5.536 -2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.987 6.231 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.026 3.222 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.270 4.479 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.296 1.483 -1.863 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.922 2.109 -1.781 1.00 0.00 H new ATOM 603 N LEU A 41 10.786 5.362 0.682 1.00 0.00 N ATOM 604 CA LEU A 41 11.376 4.476 1.724 1.00 0.00 C ATOM 605 C LEU A 41 10.866 4.865 3.131 1.00 0.00 C ATOM 606 O LEU A 41 10.695 4.004 4.001 1.00 0.00 O ATOM 607 CB LEU A 41 12.926 4.544 1.699 1.00 0.00 C ATOM 608 CG LEU A 41 13.614 4.137 0.361 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.143 4.310 0.435 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.243 2.701 -0.060 1.00 0.00 C ATOM 0 H LEU A 41 11.478 5.844 0.108 1.00 0.00 H new ATOM 0 HA LEU A 41 11.063 3.456 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.228 5.563 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.309 3.900 2.490 1.00 0.00 H new ATOM 0 HG LEU A 41 13.238 4.813 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.589 4.017 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.382 5.353 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.542 3.682 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.743 2.456 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.560 2.002 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.164 2.629 -0.195 1.00 0.00 H new ATOM 622 N ASP A 42 10.630 6.182 3.323 1.00 0.00 N ATOM 623 CA ASP A 42 10.095 6.744 4.582 1.00 0.00 C ATOM 624 C ASP A 42 8.603 6.401 4.738 1.00 0.00 C ATOM 625 O ASP A 42 8.150 6.053 5.833 1.00 0.00 O ATOM 626 CB ASP A 42 10.307 8.280 4.625 1.00 0.00 C ATOM 627 CG ASP A 42 9.902 8.915 5.972 1.00 0.00 C ATOM 628 OD1 ASP A 42 10.668 8.782 6.952 1.00 0.00 O ATOM 629 OD2 ASP A 42 8.836 9.568 6.059 1.00 0.00 O ATOM 0 H ASP A 42 10.806 6.887 2.607 1.00 0.00 H new ATOM 0 HA ASP A 42 10.638 6.297 5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.356 8.501 4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.729 8.742 3.825 1.00 0.00 H new ATOM 634 N ILE A 43 7.840 6.498 3.634 1.00 0.00 N ATOM 635 CA ILE A 43 6.408 6.118 3.624 1.00 0.00 C ATOM 636 C ILE A 43 6.255 4.620 3.931 1.00 0.00 C ATOM 637 O ILE A 43 5.388 4.216 4.704 1.00 0.00 O ATOM 638 CB ILE A 43 5.716 6.425 2.247 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.929 7.911 1.828 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.207 6.073 2.295 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.304 8.287 0.491 1.00 0.00 C ATOM 0 H ILE A 43 8.187 6.835 2.736 1.00 0.00 H new ATOM 0 HA ILE A 43 5.919 6.717 4.392 1.00 0.00 H new ATOM 0 HB ILE A 43 6.186 5.796 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.515 8.556 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.999 8.113 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.751 6.295 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.088 5.013 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.720 6.664 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.502 9.338 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.735 7.671 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.227 8.122 0.533 1.00 0.00 H new ATOM 653 N ALA A 44 7.153 3.818 3.343 1.00 0.00 N ATOM 654 CA ALA A 44 7.146 2.360 3.469 1.00 0.00 C ATOM 655 C ALA A 44 7.616 1.944 4.872 1.00 0.00 C ATOM 656 O ALA A 44 7.220 0.908 5.367 1.00 0.00 O ATOM 657 CB ALA A 44 8.033 1.739 2.376 1.00 0.00 C ATOM 0 H ALA A 44 7.912 4.171 2.760 1.00 0.00 H new ATOM 0 HA ALA A 44 6.129 1.991 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.025 0.653 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.650 2.018 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.054 2.105 2.484 1.00 0.00 H new ATOM 663 N PHE A 45 8.489 2.764 5.479 1.00 0.00 N ATOM 664 CA PHE A 45 8.901 2.632 6.896 1.00 0.00 C ATOM 665 C PHE A 45 7.658 2.735 7.819 1.00 0.00 C ATOM 666 O PHE A 45 7.486 1.943 8.759 1.00 0.00 O ATOM 667 CB PHE A 45 9.948 3.741 7.210 1.00 0.00 C ATOM 668 CG PHE A 45 10.840 3.503 8.427 1.00 0.00 C ATOM 669 CD1 PHE A 45 12.054 2.826 8.296 1.00 0.00 C ATOM 670 CD2 PHE A 45 10.481 3.963 9.692 1.00 0.00 C ATOM 671 CE1 PHE A 45 12.878 2.628 9.387 1.00 0.00 C ATOM 672 CE2 PHE A 45 11.306 3.760 10.781 1.00 0.00 C ATOM 673 CZ PHE A 45 12.500 3.091 10.630 1.00 0.00 C ATOM 0 H PHE A 45 8.936 3.546 5.000 1.00 0.00 H new ATOM 0 HA PHE A 45 9.357 1.659 7.075 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.587 3.866 6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.417 4.682 7.353 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.353 2.452 7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.545 4.485 9.823 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.818 2.111 9.267 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.014 4.127 11.754 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.140 2.929 11.485 1.00 0.00 H new ATOM 683 N ALA A 46 6.772 3.691 7.483 1.00 0.00 N ATOM 684 CA ALA A 46 5.512 3.932 8.213 1.00 0.00 C ATOM 685 C ALA A 46 4.507 2.776 7.998 1.00 0.00 C ATOM 686 O ALA A 46 3.856 2.332 8.945 1.00 0.00 O ATOM 687 CB ALA A 46 4.903 5.273 7.780 1.00 0.00 C ATOM 0 H ALA A 46 6.910 4.322 6.693 1.00 0.00 H new ATOM 0 HA ALA A 46 5.736 3.975 9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.974 5.443 8.323 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.604 6.079 7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.699 5.251 6.710 1.00 0.00 H new ATOM 693 N ILE A 47 4.407 2.299 6.743 1.00 0.00 N ATOM 694 CA ILE A 47 3.516 1.182 6.356 1.00 0.00 C ATOM 695 C ILE A 47 3.968 -0.134 7.032 1.00 0.00 C ATOM 696 O ILE A 47 3.140 -0.906 7.535 1.00 0.00 O ATOM 697 CB ILE A 47 3.499 0.994 4.787 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.919 2.255 4.070 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.719 -0.269 4.378 1.00 0.00 C ATOM 700 CD1 ILE A 47 2.987 2.228 2.544 1.00 0.00 C ATOM 0 H ILE A 47 4.944 2.678 5.963 1.00 0.00 H new ATOM 0 HA ILE A 47 2.508 1.427 6.692 1.00 0.00 H new ATOM 0 HB ILE A 47 4.533 0.868 4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.878 2.376 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.456 3.134 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.728 -0.367 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.187 -1.146 4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.689 -0.190 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.560 3.148 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.027 2.144 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.423 1.373 2.170 1.00 0.00 H new ATOM 712 N ASP A 48 5.288 -0.350 7.030 1.00 0.00 N ATOM 713 CA ASP A 48 5.954 -1.529 7.628 1.00 0.00 C ATOM 714 C ASP A 48 5.528 -1.698 9.097 1.00 0.00 C ATOM 715 O ASP A 48 5.124 -2.783 9.518 1.00 0.00 O ATOM 716 CB ASP A 48 7.490 -1.322 7.518 1.00 0.00 C ATOM 717 CG ASP A 48 8.360 -2.501 7.973 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.706 -2.574 9.173 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.752 -3.335 7.128 1.00 0.00 O ATOM 0 H ASP A 48 5.946 0.303 6.603 1.00 0.00 H new ATOM 0 HA ASP A 48 5.664 -2.436 7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.733 -1.096 6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.762 -0.446 8.107 1.00 0.00 H new ATOM 724 N LYS A 49 5.589 -0.583 9.845 1.00 0.00 N ATOM 725 CA LYS A 49 5.182 -0.547 11.263 1.00 0.00 C ATOM 726 C LYS A 49 3.653 -0.630 11.432 1.00 0.00 C ATOM 727 O LYS A 49 3.171 -1.354 12.311 1.00 0.00 O ATOM 728 CB LYS A 49 5.736 0.719 11.953 1.00 0.00 C ATOM 729 CG LYS A 49 7.273 0.742 12.037 1.00 0.00 C ATOM 730 CD LYS A 49 7.811 1.928 12.870 1.00 0.00 C ATOM 731 CE LYS A 49 9.330 1.834 13.118 1.00 0.00 C ATOM 732 NZ LYS A 49 9.852 2.971 13.923 1.00 0.00 N ATOM 0 H LYS A 49 5.919 0.314 9.488 1.00 0.00 H new ATOM 0 HA LYS A 49 5.607 -1.428 11.744 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.395 1.600 11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.323 0.787 12.959 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.622 -0.192 12.477 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.686 0.795 11.030 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.587 2.862 12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.291 1.961 13.827 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.553 0.898 13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.849 1.804 12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.877 2.858 14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.666 3.864 13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.379 2.987 14.849 1.00 0.00 H new ATOM 746 N ALA A 50 2.909 0.112 10.584 1.00 0.00 N ATOM 747 CA ALA A 50 1.432 0.223 10.662 1.00 0.00 C ATOM 748 C ALA A 50 0.733 -1.151 10.593 1.00 0.00 C ATOM 749 O ALA A 50 -0.142 -1.456 11.401 1.00 0.00 O ATOM 750 CB ALA A 50 0.905 1.143 9.546 1.00 0.00 C ATOM 0 H ALA A 50 3.316 0.654 9.822 1.00 0.00 H new ATOM 0 HA ALA A 50 1.195 0.657 11.633 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.180 1.215 9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.342 2.135 9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.180 0.731 8.575 1.00 0.00 H new ATOM 756 N PHE A 51 1.135 -1.966 9.610 1.00 0.00 N ATOM 757 CA PHE A 51 0.600 -3.328 9.419 1.00 0.00 C ATOM 758 C PHE A 51 1.380 -4.364 10.258 1.00 0.00 C ATOM 759 O PHE A 51 0.962 -5.532 10.355 1.00 0.00 O ATOM 760 CB PHE A 51 0.621 -3.697 7.918 1.00 0.00 C ATOM 761 CG PHE A 51 -0.307 -2.841 7.059 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.123 -1.631 6.522 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.611 -3.255 6.779 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.716 -0.867 5.732 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.445 -2.489 5.987 1.00 0.00 C ATOM 766 CZ PHE A 51 -1.994 -1.299 5.463 1.00 0.00 C ATOM 0 H PHE A 51 1.841 -1.703 8.922 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.432 -3.344 9.769 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.640 -3.599 7.544 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.340 -4.744 7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.125 -1.284 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.973 -4.187 7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.367 0.071 5.325 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.450 -2.824 5.779 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.644 -0.703 4.840 1.00 0.00 H new ATOM 776 N GLY A 52 2.497 -3.919 10.882 1.00 0.00 N ATOM 777 CA GLY A 52 3.348 -4.792 11.700 1.00 0.00 C ATOM 778 C GLY A 52 4.019 -5.902 10.896 1.00 0.00 C ATOM 779 O GLY A 52 4.226 -7.011 11.404 1.00 0.00 O ATOM 0 H GLY A 52 2.824 -2.954 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.115 -4.189 12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.745 -5.238 12.491 1.00 0.00 H new ATOM 783 N ILE A 53 4.336 -5.588 9.631 1.00 0.00 N ATOM 784 CA ILE A 53 4.870 -6.547 8.649 1.00 0.00 C ATOM 785 C ILE A 53 6.317 -6.207 8.291 1.00 0.00 C ATOM 786 O ILE A 53 6.822 -5.152 8.669 1.00 0.00 O ATOM 787 CB ILE A 53 4.003 -6.552 7.340 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.933 -5.122 6.701 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.587 -7.108 7.615 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.264 -5.080 5.350 1.00 0.00 C ATOM 0 H ILE A 53 4.227 -4.646 9.254 1.00 0.00 H new ATOM 0 HA ILE A 53 4.834 -7.536 9.105 1.00 0.00 H new ATOM 0 HB ILE A 53 4.489 -7.213 6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.397 -4.459 7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.945 -4.729 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.007 -7.100 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.663 -8.130 7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.090 -6.487 8.360 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.257 -4.055 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.811 -5.715 4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.239 -5.440 5.440 1.00 0.00 H new ATOM 802 N LYS A 54 6.982 -7.123 7.577 1.00 0.00 N ATOM 803 CA LYS A 54 8.279 -6.856 6.968 1.00 0.00 C ATOM 804 C LYS A 54 8.087 -6.666 5.459 1.00 0.00 C ATOM 805 O LYS A 54 7.863 -7.639 4.730 1.00 0.00 O ATOM 806 CB LYS A 54 9.303 -7.987 7.267 1.00 0.00 C ATOM 807 CG LYS A 54 10.713 -7.743 6.661 1.00 0.00 C ATOM 808 CD LYS A 54 11.372 -6.446 7.200 1.00 0.00 C ATOM 809 CE LYS A 54 12.720 -6.124 6.536 1.00 0.00 C ATOM 810 NZ LYS A 54 13.314 -4.882 7.090 1.00 0.00 N ATOM 0 H LYS A 54 6.632 -8.066 7.409 1.00 0.00 H new ATOM 0 HA LYS A 54 8.692 -5.945 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.398 -8.100 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.911 -8.928 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.355 -8.594 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.634 -7.683 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.690 -5.610 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.519 -6.542 8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.408 -6.956 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.580 -6.014 5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.223 -4.693 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.667 -4.085 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.469 -4.997 8.112 1.00 0.00 H new ATOM 824 N LEU A 55 8.095 -5.398 5.031 1.00 0.00 N ATOM 825 CA LEU A 55 8.202 -5.021 3.624 1.00 0.00 C ATOM 826 C LEU A 55 9.639 -5.290 3.154 1.00 0.00 C ATOM 827 O LEU A 55 10.571 -4.666 3.676 1.00 0.00 O ATOM 828 CB LEU A 55 7.861 -3.513 3.431 1.00 0.00 C ATOM 829 CG LEU A 55 6.387 -3.094 3.729 1.00 0.00 C ATOM 830 CD1 LEU A 55 6.216 -1.569 3.623 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.402 -3.807 2.783 1.00 0.00 C ATOM 0 H LEU A 55 8.026 -4.599 5.662 1.00 0.00 H new ATOM 0 HA LEU A 55 7.495 -5.608 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.519 -2.928 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.093 -3.239 2.402 1.00 0.00 H new ATOM 0 HG LEU A 55 6.161 -3.398 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.180 -1.303 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.871 -1.079 4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.475 -1.243 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.384 -3.495 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.635 -3.546 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.489 -4.886 2.913 1.00 0.00 H new ATOM 843 N PRO A 56 9.872 -6.248 2.207 1.00 0.00 N ATOM 844 CA PRO A 56 11.175 -6.386 1.542 1.00 0.00 C ATOM 845 C PRO A 56 11.284 -5.367 0.386 1.00 0.00 C ATOM 846 O PRO A 56 11.377 -5.731 -0.784 1.00 0.00 O ATOM 847 CB PRO A 56 11.161 -7.860 1.086 1.00 0.00 C ATOM 848 CG PRO A 56 9.721 -8.144 0.776 1.00 0.00 C ATOM 849 CD PRO A 56 8.909 -7.288 1.737 1.00 0.00 C ATOM 0 HA PRO A 56 12.044 -6.174 2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.793 -8.011 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.537 -8.521 1.867 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.488 -7.896 -0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.494 -9.202 0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.049 -6.839 1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.524 -7.879 2.568 1.00 0.00 H new ATOM 857 N LEU A 57 11.260 -4.075 0.769 1.00 0.00 N ATOM 858 CA LEU A 57 11.289 -2.928 -0.164 1.00 0.00 C ATOM 859 C LEU A 57 12.618 -2.954 -0.954 1.00 0.00 C ATOM 860 O LEU A 57 12.632 -2.674 -2.154 1.00 0.00 O ATOM 861 CB LEU A 57 11.115 -1.575 0.628 1.00 0.00 C ATOM 862 CG LEU A 57 10.414 -0.360 -0.092 1.00 0.00 C ATOM 863 CD1 LEU A 57 11.119 0.058 -1.392 1.00 0.00 C ATOM 864 CD2 LEU A 57 8.920 -0.637 -0.336 1.00 0.00 C ATOM 0 H LEU A 57 11.219 -3.794 1.749 1.00 0.00 H new ATOM 0 HA LEU A 57 10.462 -3.002 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.550 -1.793 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.106 -1.246 0.942 1.00 0.00 H new ATOM 0 HG LEU A 57 10.498 0.486 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.589 0.899 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.145 0.353 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.124 -0.780 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.467 0.221 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.812 -1.520 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.421 -0.808 0.618 1.00 0.00 H new ATOM 876 N GLU A 58 13.723 -3.331 -0.263 1.00 0.00 N ATOM 877 CA GLU A 58 15.057 -3.466 -0.891 1.00 0.00 C ATOM 878 C GLU A 58 15.053 -4.575 -1.970 1.00 0.00 C ATOM 879 O GLU A 58 15.606 -4.391 -3.048 1.00 0.00 O ATOM 880 CB GLU A 58 16.161 -3.752 0.173 1.00 0.00 C ATOM 881 CG GLU A 58 15.948 -5.037 1.011 1.00 0.00 C ATOM 882 CD GLU A 58 17.157 -5.420 1.885 1.00 0.00 C ATOM 883 OE1 GLU A 58 18.186 -5.851 1.325 1.00 0.00 O ATOM 884 OE2 GLU A 58 17.077 -5.324 3.128 1.00 0.00 O ATOM 0 H GLU A 58 13.713 -3.547 0.734 1.00 0.00 H new ATOM 0 HA GLU A 58 15.287 -2.515 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.123 -3.823 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.220 -2.900 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.077 -4.900 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.722 -5.864 0.338 1.00 0.00 H new ATOM 891 N LYS A 59 14.403 -5.711 -1.650 1.00 0.00 N ATOM 892 CA LYS A 59 14.221 -6.855 -2.568 1.00 0.00 C ATOM 893 C LYS A 59 13.474 -6.421 -3.839 1.00 0.00 C ATOM 894 O LYS A 59 13.907 -6.722 -4.943 1.00 0.00 O ATOM 895 CB LYS A 59 13.439 -7.973 -1.817 1.00 0.00 C ATOM 896 CG LYS A 59 12.924 -9.164 -2.659 1.00 0.00 C ATOM 897 CD LYS A 59 14.044 -10.047 -3.257 1.00 0.00 C ATOM 898 CE LYS A 59 13.474 -11.256 -4.015 1.00 0.00 C ATOM 899 NZ LYS A 59 14.531 -12.189 -4.478 1.00 0.00 N ATOM 0 H LYS A 59 13.983 -5.863 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 59 15.194 -7.236 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.085 -8.368 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.583 -7.513 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.281 -9.785 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.306 -8.781 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.656 -9.450 -3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.699 -10.395 -2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.780 -11.792 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.902 -10.905 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.094 -12.986 -4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.180 -11.688 -5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.061 -12.547 -3.658 1.00 0.00 H new ATOM 913 N TRP A 60 12.374 -5.681 -3.645 1.00 0.00 N ATOM 914 CA TRP A 60 11.513 -5.194 -4.743 1.00 0.00 C ATOM 915 C TRP A 60 12.285 -4.227 -5.657 1.00 0.00 C ATOM 916 O TRP A 60 12.257 -4.353 -6.882 1.00 0.00 O ATOM 917 CB TRP A 60 10.262 -4.485 -4.160 1.00 0.00 C ATOM 918 CG TRP A 60 9.372 -5.367 -3.308 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.354 -6.737 -3.249 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.354 -4.923 -2.409 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.405 -7.157 -2.358 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.779 -6.065 -1.830 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.881 -3.668 -2.032 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.757 -5.992 -0.895 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.864 -3.595 -1.102 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.314 -4.751 -0.539 1.00 0.00 C ATOM 0 H TRP A 60 12.051 -5.399 -2.719 1.00 0.00 H new ATOM 0 HA TRP A 60 11.198 -6.051 -5.338 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.589 -3.636 -3.560 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.671 -4.085 -4.984 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.996 -7.389 -3.823 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.199 -8.129 -2.126 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.302 -2.770 -2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.327 -6.884 -0.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.486 -2.628 -0.804 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.524 -4.660 0.191 1.00 0.00 H new ATOM 937 N THR A 61 13.003 -3.293 -5.013 1.00 0.00 N ATOM 938 CA THR A 61 13.841 -2.280 -5.681 1.00 0.00 C ATOM 939 C THR A 61 15.017 -2.944 -6.434 1.00 0.00 C ATOM 940 O THR A 61 15.411 -2.488 -7.514 1.00 0.00 O ATOM 941 CB THR A 61 14.357 -1.245 -4.623 1.00 0.00 C ATOM 942 OG1 THR A 61 13.234 -0.580 -4.012 1.00 0.00 O ATOM 943 CG2 THR A 61 15.302 -0.190 -5.219 1.00 0.00 C ATOM 0 H THR A 61 13.019 -3.218 -3.996 1.00 0.00 H new ATOM 0 HA THR A 61 13.239 -1.753 -6.421 1.00 0.00 H new ATOM 0 HB THR A 61 14.927 -1.809 -3.885 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.856 -1.152 -3.312 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.623 0.496 -4.435 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.174 -0.684 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.781 0.367 -5.997 1.00 0.00 H new ATOM 951 N GLN A 62 15.518 -4.062 -5.882 1.00 0.00 N ATOM 952 CA GLN A 62 16.647 -4.811 -6.452 1.00 0.00 C ATOM 953 C GLN A 62 16.188 -5.563 -7.711 1.00 0.00 C ATOM 954 O GLN A 62 16.895 -5.592 -8.710 1.00 0.00 O ATOM 955 CB GLN A 62 17.198 -5.806 -5.400 1.00 0.00 C ATOM 956 CG GLN A 62 18.432 -6.610 -5.851 1.00 0.00 C ATOM 957 CD GLN A 62 18.907 -7.604 -4.795 1.00 0.00 C ATOM 958 OE1 GLN A 62 19.744 -7.280 -3.953 1.00 0.00 O ATOM 959 NE2 GLN A 62 18.371 -8.816 -4.824 1.00 0.00 N ATOM 0 H GLN A 62 15.149 -4.472 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 62 17.441 -4.117 -6.728 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.454 -5.252 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.405 -6.505 -5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.194 -7.148 -6.769 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.243 -5.921 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.680 -9.051 -5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.650 -9.514 -4.134 1.00 0.00 H new ATOM 968 N GLU A 63 14.984 -6.170 -7.627 1.00 0.00 N ATOM 969 CA GLU A 63 14.337 -6.864 -8.758 1.00 0.00 C ATOM 970 C GLU A 63 14.089 -5.899 -9.929 1.00 0.00 C ATOM 971 O GLU A 63 14.229 -6.281 -11.086 1.00 0.00 O ATOM 972 CB GLU A 63 13.018 -7.542 -8.295 1.00 0.00 C ATOM 973 CG GLU A 63 13.230 -8.711 -7.321 1.00 0.00 C ATOM 974 CD GLU A 63 11.915 -9.347 -6.851 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.394 -10.241 -7.555 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.386 -8.950 -5.786 1.00 0.00 O ATOM 0 H GLU A 63 14.433 -6.191 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 63 15.011 -7.643 -9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.384 -6.794 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.480 -7.904 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.843 -9.472 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.786 -8.357 -6.453 1.00 0.00 H new ATOM 983 N VAL A 64 13.766 -4.638 -9.618 1.00 0.00 N ATOM 984 CA VAL A 64 13.640 -3.588 -10.644 1.00 0.00 C ATOM 985 C VAL A 64 15.016 -3.324 -11.312 1.00 0.00 C ATOM 986 O VAL A 64 15.121 -3.271 -12.545 1.00 0.00 O ATOM 987 CB VAL A 64 13.050 -2.254 -10.059 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.992 -1.157 -11.146 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.650 -2.483 -9.434 1.00 0.00 C ATOM 0 H VAL A 64 13.587 -4.317 -8.667 1.00 0.00 H new ATOM 0 HA VAL A 64 12.938 -3.949 -11.395 1.00 0.00 H new ATOM 0 HB VAL A 64 13.717 -1.916 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.580 -0.243 -10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.997 -0.962 -11.520 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.358 -1.491 -11.967 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.270 -1.541 -9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.968 -2.858 -10.197 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.727 -3.211 -8.626 1.00 0.00 H new ATOM 999 N ASN A 65 16.062 -3.200 -10.471 1.00 0.00 N ATOM 1000 CA ASN A 65 17.450 -2.906 -10.906 1.00 0.00 C ATOM 1001 C ASN A 65 18.050 -4.023 -11.798 1.00 0.00 C ATOM 1002 O ASN A 65 18.748 -3.724 -12.775 1.00 0.00 O ATOM 1003 CB ASN A 65 18.349 -2.643 -9.661 1.00 0.00 C ATOM 1004 CG ASN A 65 18.015 -1.337 -8.931 1.00 0.00 C ATOM 1005 OD1 ASN A 65 17.588 -0.354 -9.543 1.00 0.00 O ATOM 1006 ND2 ASN A 65 18.190 -1.316 -7.617 1.00 0.00 N ATOM 0 H ASN A 65 15.970 -3.301 -9.460 1.00 0.00 H new ATOM 0 HA ASN A 65 17.416 -2.009 -11.524 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.245 -3.476 -8.965 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.393 -2.618 -9.975 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.970 -0.473 -7.087 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.544 -2.143 -7.136 1.00 0.00 H new ATOM 1013 N ASP A 66 17.788 -5.305 -11.460 1.00 0.00 N ATOM 1014 CA ASP A 66 18.258 -6.477 -12.255 1.00 0.00 C ATOM 1015 C ASP A 66 17.280 -6.857 -13.390 1.00 0.00 C ATOM 1016 O ASP A 66 17.566 -7.772 -14.171 1.00 0.00 O ATOM 1017 CB ASP A 66 18.477 -7.711 -11.337 1.00 0.00 C ATOM 1018 CG ASP A 66 19.625 -7.539 -10.323 1.00 0.00 C ATOM 1019 OD1 ASP A 66 19.381 -7.042 -9.207 1.00 0.00 O ATOM 1020 OD2 ASP A 66 20.779 -7.910 -10.639 1.00 0.00 O ATOM 0 H ASP A 66 17.248 -5.563 -10.634 1.00 0.00 H new ATOM 0 HA ASP A 66 19.202 -6.179 -12.711 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.554 -7.916 -10.795 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.682 -8.582 -11.959 1.00 0.00 H new ATOM 1025 N GLY A 67 16.153 -6.131 -13.490 1.00 0.00 N ATOM 1026 CA GLY A 67 15.094 -6.442 -14.462 1.00 0.00 C ATOM 1027 C GLY A 67 14.417 -7.796 -14.248 1.00 0.00 C ATOM 1028 O GLY A 67 13.988 -8.443 -15.206 1.00 0.00 O ATOM 0 H GLY A 67 15.953 -5.320 -12.905 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.336 -5.660 -14.418 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.520 -6.417 -15.465 1.00 0.00 H new ATOM 1032 N LYS A 68 14.356 -8.227 -12.984 1.00 0.00 N ATOM 1033 CA LYS A 68 13.589 -9.408 -12.554 1.00 0.00 C ATOM 1034 C LYS A 68 12.093 -9.050 -12.484 1.00 0.00 C ATOM 1035 O LYS A 68 11.224 -9.882 -12.755 1.00 0.00 O ATOM 1036 CB LYS A 68 14.085 -9.872 -11.163 1.00 0.00 C ATOM 1037 CG LYS A 68 15.614 -10.115 -11.021 1.00 0.00 C ATOM 1038 CD LYS A 68 16.137 -11.447 -11.623 1.00 0.00 C ATOM 1039 CE LYS A 68 16.260 -11.459 -13.158 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.760 -12.762 -13.649 1.00 0.00 N ATOM 0 H LYS A 68 14.843 -7.762 -12.218 1.00 0.00 H new ATOM 0 HA LYS A 68 13.732 -10.216 -13.271 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.788 -9.125 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.567 -10.796 -10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.141 -9.289 -11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.872 -10.089 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.115 -11.664 -11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.469 -12.253 -11.320 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.288 -11.249 -13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.935 -10.665 -13.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.832 -12.738 -14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.698 -12.950 -13.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.102 -13.516 -13.365 1.00 0.00 H new ATOM 1054 N ALA A 69 11.831 -7.782 -12.120 1.00 0.00 N ATOM 1055 CA ALA A 69 10.487 -7.214 -11.986 1.00 0.00 C ATOM 1056 C ALA A 69 10.525 -5.746 -12.433 1.00 0.00 C ATOM 1057 O ALA A 69 11.612 -5.180 -12.637 1.00 0.00 O ATOM 1058 CB ALA A 69 9.986 -7.347 -10.537 1.00 0.00 C ATOM 0 H ALA A 69 12.569 -7.111 -11.907 1.00 0.00 H new ATOM 0 HA ALA A 69 9.788 -7.761 -12.619 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.986 -6.920 -10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.954 -8.400 -10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.662 -6.815 -9.868 1.00 0.00 H new ATOM 1064 N THR A 70 9.342 -5.146 -12.601 1.00 0.00 N ATOM 1065 CA THR A 70 9.191 -3.755 -13.068 1.00 0.00 C ATOM 1066 C THR A 70 8.708 -2.832 -11.925 1.00 0.00 C ATOM 1067 O THR A 70 8.203 -3.323 -10.905 1.00 0.00 O ATOM 1068 CB THR A 70 8.205 -3.733 -14.283 1.00 0.00 C ATOM 1069 OG1 THR A 70 7.053 -4.527 -13.983 1.00 0.00 O ATOM 1070 CG2 THR A 70 8.854 -4.266 -15.573 1.00 0.00 C ATOM 0 H THR A 70 8.453 -5.611 -12.417 1.00 0.00 H new ATOM 0 HA THR A 70 10.159 -3.372 -13.390 1.00 0.00 H new ATOM 0 HB THR A 70 7.925 -2.693 -14.451 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.266 -3.948 -13.914 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.129 -4.230 -16.387 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.716 -3.650 -15.828 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.176 -5.296 -15.419 1.00 0.00 H new ATOM 1078 N THR A 71 8.886 -1.499 -12.107 1.00 0.00 N ATOM 1079 CA THR A 71 8.577 -0.479 -11.077 1.00 0.00 C ATOM 1080 C THR A 71 7.102 -0.539 -10.637 1.00 0.00 C ATOM 1081 O THR A 71 6.808 -0.866 -9.486 1.00 0.00 O ATOM 1082 CB THR A 71 8.901 0.974 -11.582 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.313 1.175 -12.876 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.407 1.253 -11.656 1.00 0.00 C ATOM 0 H THR A 71 9.248 -1.102 -12.974 1.00 0.00 H new ATOM 0 HA THR A 71 9.212 -0.710 -10.222 1.00 0.00 H new ATOM 0 HB THR A 71 8.478 1.669 -10.857 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.514 2.082 -13.189 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.572 2.270 -12.011 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.847 1.138 -10.666 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.874 0.549 -12.345 1.00 0.00 H new ATOM 1092 N GLU A 72 6.182 -0.245 -11.579 1.00 0.00 N ATOM 1093 CA GLU A 72 4.735 -0.149 -11.307 1.00 0.00 C ATOM 1094 C GLU A 72 4.140 -1.429 -10.670 1.00 0.00 C ATOM 1095 O GLU A 72 3.231 -1.343 -9.841 1.00 0.00 O ATOM 1096 CB GLU A 72 3.960 0.334 -12.592 1.00 0.00 C ATOM 1097 CG GLU A 72 4.408 -0.242 -13.953 1.00 0.00 C ATOM 1098 CD GLU A 72 4.146 -1.741 -14.128 1.00 0.00 C ATOM 1099 OE1 GLU A 72 3.023 -2.127 -14.514 1.00 0.00 O ATOM 1100 OE2 GLU A 72 5.065 -2.540 -13.877 1.00 0.00 O ATOM 0 H GLU A 72 6.424 -0.067 -12.554 1.00 0.00 H new ATOM 0 HA GLU A 72 4.598 0.614 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.905 0.097 -12.457 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.039 1.420 -12.644 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.895 0.299 -14.748 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.475 -0.056 -14.078 1.00 0.00 H new ATOM 1107 N GLN A 73 4.729 -2.585 -11.006 1.00 0.00 N ATOM 1108 CA GLN A 73 4.340 -3.913 -10.473 1.00 0.00 C ATOM 1109 C GLN A 73 4.374 -3.974 -8.921 1.00 0.00 C ATOM 1110 O GLN A 73 3.693 -4.805 -8.309 1.00 0.00 O ATOM 1111 CB GLN A 73 5.268 -4.992 -11.092 1.00 0.00 C ATOM 1112 CG GLN A 73 4.987 -6.443 -10.658 1.00 0.00 C ATOM 1113 CD GLN A 73 5.836 -7.471 -11.394 1.00 0.00 C ATOM 1114 OE1 GLN A 73 6.954 -7.183 -11.826 1.00 0.00 O ATOM 1115 NE2 GLN A 73 5.317 -8.678 -11.529 1.00 0.00 N ATOM 0 H GLN A 73 5.504 -2.632 -11.667 1.00 0.00 H new ATOM 0 HA GLN A 73 3.304 -4.102 -10.756 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.187 -4.935 -12.178 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.299 -4.749 -10.836 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.166 -6.535 -9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.933 -6.667 -10.825 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.388 -8.878 -11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.845 -9.410 -12.004 1.00 0.00 H new ATOM 1124 N TYR A 74 5.185 -3.110 -8.292 1.00 0.00 N ATOM 1125 CA TYR A 74 5.227 -2.959 -6.823 1.00 0.00 C ATOM 1126 C TYR A 74 4.667 -1.603 -6.393 1.00 0.00 C ATOM 1127 O TYR A 74 3.868 -1.520 -5.461 1.00 0.00 O ATOM 1128 CB TYR A 74 6.681 -3.108 -6.305 1.00 0.00 C ATOM 1129 CG TYR A 74 7.257 -4.503 -6.534 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.640 -5.619 -5.961 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.398 -4.714 -7.310 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.137 -6.882 -6.148 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.898 -5.986 -7.495 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.263 -7.060 -6.912 1.00 0.00 C ATOM 1135 OH TYR A 74 8.755 -8.321 -7.096 1.00 0.00 O ATOM 0 H TYR A 74 5.832 -2.494 -8.785 1.00 0.00 H new ATOM 0 HA TYR A 74 4.608 -3.745 -6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.315 -2.373 -6.802 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.706 -2.881 -5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.754 -5.483 -5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.894 -3.872 -7.770 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.646 -7.732 -5.697 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.783 -6.139 -8.094 1.00 0.00 H new ATOM 0 HH TYR A 74 9.532 -8.457 -6.515 1.00 0.00 H new ATOM 1145 N PHE A 75 5.064 -0.543 -7.109 1.00 0.00 N ATOM 1146 CA PHE A 75 4.926 0.843 -6.633 1.00 0.00 C ATOM 1147 C PHE A 75 3.671 1.538 -7.207 1.00 0.00 C ATOM 1148 O PHE A 75 3.587 2.765 -7.212 1.00 0.00 O ATOM 1149 CB PHE A 75 6.243 1.600 -6.970 1.00 0.00 C ATOM 1150 CG PHE A 75 7.491 0.951 -6.339 1.00 0.00 C ATOM 1151 CD1 PHE A 75 7.708 1.019 -4.965 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.428 0.257 -7.109 1.00 0.00 C ATOM 1153 CE1 PHE A 75 8.816 0.420 -4.382 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.539 -0.339 -6.528 1.00 0.00 C ATOM 1155 CZ PHE A 75 9.731 -0.260 -5.164 1.00 0.00 C ATOM 0 H PHE A 75 5.489 -0.620 -8.033 1.00 0.00 H new ATOM 0 HA PHE A 75 4.774 0.849 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.368 1.637 -8.052 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.162 2.630 -6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.001 1.547 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.285 0.183 -8.177 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.964 0.485 -3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.253 -0.865 -7.144 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.592 -0.727 -4.709 1.00 0.00 H new ATOM 1165 N VAL A 76 2.680 0.730 -7.645 1.00 0.00 N ATOM 1166 CA VAL A 76 1.298 1.201 -7.923 1.00 0.00 C ATOM 1167 C VAL A 76 0.399 0.698 -6.789 1.00 0.00 C ATOM 1168 O VAL A 76 0.553 -0.431 -6.369 1.00 0.00 O ATOM 1169 CB VAL A 76 0.763 0.725 -9.331 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.771 0.868 -9.478 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.461 1.496 -10.465 1.00 0.00 C ATOM 0 H VAL A 76 2.812 -0.267 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 76 1.293 2.290 -7.964 1.00 0.00 H new ATOM 0 HB VAL A 76 0.999 -0.337 -9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.075 0.524 -10.467 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.267 0.267 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.052 1.914 -9.355 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.079 1.154 -11.427 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.264 2.562 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.535 1.319 -10.418 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.546 1.537 -6.350 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.338 1.353 -5.110 1.00 0.00 C ATOM 1183 C LEU A 77 -2.090 0.009 -5.017 1.00 0.00 C ATOM 1184 O LEU A 77 -2.154 -0.570 -3.933 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.319 2.545 -4.934 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.764 3.783 -4.170 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.418 3.423 -2.710 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.569 4.434 -4.893 1.00 0.00 C ATOM 0 H LEU A 77 -0.794 2.388 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.617 1.328 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.645 2.870 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.204 2.186 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.557 4.530 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.033 4.305 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.315 3.071 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.662 2.638 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.220 5.292 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.239 3.708 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.879 4.763 -5.885 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.662 -0.467 -6.136 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.357 -1.785 -6.184 1.00 0.00 C ATOM 1202 C LYS A 78 -2.364 -2.926 -5.846 1.00 0.00 C ATOM 1203 O LYS A 78 -2.655 -3.822 -5.047 1.00 0.00 O ATOM 1204 CB LYS A 78 -3.998 -2.015 -7.593 1.00 0.00 C ATOM 1205 CG LYS A 78 -2.987 -1.941 -8.758 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.574 -2.249 -10.147 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.488 -2.184 -11.249 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.022 -2.489 -12.596 1.00 0.00 N ATOM 0 H LYS A 78 -2.662 0.034 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.154 -1.786 -5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.482 -2.991 -7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.778 -1.270 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.550 -0.943 -8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.175 -2.640 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.028 -3.240 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.367 -1.537 -10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.042 -1.189 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.691 -2.889 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.254 -2.431 -13.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.424 -3.448 -12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.764 -1.802 -12.839 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.166 -2.811 -6.429 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.100 -3.818 -6.363 1.00 0.00 C ATOM 1224 C ASN A 79 0.576 -3.773 -4.994 1.00 0.00 C ATOM 1225 O ASN A 79 0.793 -4.806 -4.380 1.00 0.00 O ATOM 1226 CB ASN A 79 0.929 -3.537 -7.485 1.00 0.00 C ATOM 1227 CG ASN A 79 0.329 -3.618 -8.892 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.547 -4.436 -9.164 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.770 -2.757 -9.785 1.00 0.00 N ATOM 0 H ASN A 79 -0.903 -1.991 -6.976 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.523 -4.813 -6.503 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.356 -2.545 -7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.748 -4.252 -7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.384 -2.758 -10.729 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.498 -2.089 -9.533 1.00 0.00 H new ATOM 1236 N LEU A 80 0.864 -2.543 -4.544 1.00 0.00 N ATOM 1237 CA LEU A 80 1.521 -2.242 -3.266 1.00 0.00 C ATOM 1238 C LEU A 80 0.683 -2.788 -2.111 1.00 0.00 C ATOM 1239 O LEU A 80 1.170 -3.577 -1.309 1.00 0.00 O ATOM 1240 CB LEU A 80 1.721 -0.702 -3.131 1.00 0.00 C ATOM 1241 CG LEU A 80 2.441 -0.204 -1.840 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.890 -0.741 -1.750 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.400 1.338 -1.744 1.00 0.00 C ATOM 0 H LEU A 80 0.638 -1.704 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 80 2.499 -2.722 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.289 -0.355 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.742 -0.225 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 80 1.899 -0.605 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.359 -0.372 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.874 -1.831 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.459 -0.398 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.909 1.660 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.899 1.770 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.363 1.673 -1.718 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.605 -2.403 -2.091 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.568 -2.863 -1.073 1.00 0.00 C ATOM 1257 C ALA A 81 -1.737 -4.398 -1.108 1.00 0.00 C ATOM 1258 O ALA A 81 -1.970 -5.016 -0.073 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.914 -2.154 -1.260 1.00 0.00 C ATOM 0 H ALA A 81 -1.008 -1.766 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.174 -2.605 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.617 -2.502 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.775 -1.078 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.309 -2.378 -2.251 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.592 -4.997 -2.301 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.616 -6.461 -2.472 1.00 0.00 C ATOM 1267 C ALA A 82 -0.366 -7.130 -1.850 1.00 0.00 C ATOM 1268 O ALA A 82 -0.485 -8.176 -1.208 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.737 -6.817 -3.958 1.00 0.00 C ATOM 0 H ALA A 82 -1.455 -4.484 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.488 -6.846 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.754 -7.901 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.659 -6.396 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.885 -6.408 -4.501 1.00 0.00 H new ATOM 1275 N ARG A 83 0.827 -6.515 -2.053 1.00 0.00 N ATOM 1276 CA ARG A 83 2.107 -7.011 -1.469 1.00 0.00 C ATOM 1277 C ARG A 83 2.007 -7.030 0.063 1.00 0.00 C ATOM 1278 O ARG A 83 2.308 -8.029 0.720 1.00 0.00 O ATOM 1279 CB ARG A 83 3.320 -6.109 -1.860 1.00 0.00 C ATOM 1280 CG ARG A 83 3.531 -5.752 -3.359 1.00 0.00 C ATOM 1281 CD ARG A 83 3.587 -6.962 -4.316 1.00 0.00 C ATOM 1282 NE ARG A 83 2.254 -7.533 -4.599 1.00 0.00 N ATOM 1283 CZ ARG A 83 1.914 -8.824 -4.484 1.00 0.00 C ATOM 1284 NH1 ARG A 83 2.788 -9.728 -4.054 1.00 0.00 N ATOM 1285 NH2 ARG A 83 0.690 -9.199 -4.788 1.00 0.00 N ATOM 0 H ARG A 83 0.933 -5.672 -2.618 1.00 0.00 H new ATOM 0 HA ARG A 83 2.270 -8.013 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.229 -5.174 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.226 -6.601 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.723 -5.093 -3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.459 -5.188 -3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.052 -6.656 -5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.222 -7.734 -3.881 1.00 0.00 H new ATOM 0 HE ARG A 83 1.528 -6.887 -4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.735 -9.443 -3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.511 -10.706 -3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.010 -8.509 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.421 -10.179 -4.704 1.00 0.00 H new ATOM 1299 N ILE A 84 1.554 -5.886 0.578 1.00 0.00 N ATOM 1300 CA ILE A 84 1.356 -5.615 2.006 1.00 0.00 C ATOM 1301 C ILE A 84 0.365 -6.623 2.616 1.00 0.00 C ATOM 1302 O ILE A 84 0.616 -7.193 3.676 1.00 0.00 O ATOM 1303 CB ILE A 84 0.826 -4.139 2.158 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.926 -3.127 1.690 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.334 -3.825 3.587 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.439 -1.711 1.466 1.00 0.00 C ATOM 0 H ILE A 84 1.305 -5.091 -0.010 1.00 0.00 H new ATOM 0 HA ILE A 84 2.299 -5.724 2.542 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.047 -4.033 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.721 -3.108 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.366 -3.495 0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.019 -2.795 3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.481 -4.500 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.155 -3.958 4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.272 -1.086 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.666 -1.709 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.027 -1.317 2.395 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.750 -6.848 1.898 1.00 0.00 N ATOM 1319 CA ASP A 85 -1.822 -7.765 2.331 1.00 0.00 C ATOM 1320 C ASP A 85 -1.337 -9.227 2.401 1.00 0.00 C ATOM 1321 O ASP A 85 -1.744 -9.973 3.299 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.048 -7.647 1.395 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.269 -8.419 1.922 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -4.897 -7.937 2.890 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.615 -9.494 1.376 1.00 0.00 O ATOM 0 H ASP A 85 -0.934 -6.399 1.001 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.115 -7.469 3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.311 -6.596 1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.784 -8.023 0.407 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.473 -9.620 1.450 1.00 0.00 N ATOM 1331 CA GLU A 86 0.140 -10.966 1.431 1.00 0.00 C ATOM 1332 C GLU A 86 1.092 -11.152 2.631 1.00 0.00 C ATOM 1333 O GLU A 86 1.231 -12.259 3.159 1.00 0.00 O ATOM 1334 CB GLU A 86 0.876 -11.229 0.087 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.064 -11.413 -1.131 1.00 0.00 C ATOM 1336 CD GLU A 86 0.636 -11.745 -2.472 1.00 0.00 C ATOM 1337 OE1 GLU A 86 1.848 -12.058 -2.484 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -0.040 -11.693 -3.529 1.00 0.00 O ATOM 0 H GLU A 86 -0.179 -9.022 0.677 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.661 -11.701 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.551 -10.397 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.493 -12.121 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.772 -12.210 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.644 -10.499 -1.261 1.00 0.00 H new ATOM 1345 N LEU A 87 1.744 -10.057 3.050 1.00 0.00 N ATOM 1346 CA LEU A 87 2.618 -10.040 4.241 1.00 0.00 C ATOM 1347 C LEU A 87 1.795 -10.046 5.557 1.00 0.00 C ATOM 1348 O LEU A 87 2.252 -10.573 6.578 1.00 0.00 O ATOM 1349 CB LEU A 87 3.573 -8.826 4.160 1.00 0.00 C ATOM 1350 CG LEU A 87 4.525 -8.818 2.913 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.238 -7.467 2.754 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.540 -9.987 2.967 1.00 0.00 C ATOM 0 H LEU A 87 1.683 -9.156 2.575 1.00 0.00 H new ATOM 0 HA LEU A 87 3.215 -10.952 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.977 -7.913 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.182 -8.800 5.064 1.00 0.00 H new ATOM 0 HG LEU A 87 3.902 -8.964 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.889 -7.500 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.497 -6.678 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.835 -7.264 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.184 -9.951 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.149 -9.899 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.002 -10.935 2.984 1.00 0.00 H new ATOM 1364 N VAL A 88 0.587 -9.443 5.521 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.390 -9.504 6.637 1.00 0.00 C ATOM 1366 C VAL A 88 -0.956 -10.935 6.770 1.00 0.00 C ATOM 1367 O VAL A 88 -1.199 -11.432 7.882 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.546 -8.440 6.446 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.670 -8.591 7.506 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.973 -7.001 6.475 1.00 0.00 C ATOM 0 H VAL A 88 0.260 -8.901 4.721 1.00 0.00 H new ATOM 0 HA VAL A 88 0.127 -9.253 7.563 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.993 -8.629 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.439 -7.838 7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.111 -9.585 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.250 -8.456 8.503 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.783 -6.284 6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.485 -6.823 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.248 -6.882 5.670 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.130 -11.597 5.626 1.00 0.00 N ATOM 1381 CA ALA A 89 -1.522 -13.012 5.574 1.00 0.00 C ATOM 1382 C ALA A 89 -0.370 -13.911 6.076 1.00 0.00 C ATOM 1383 O ALA A 89 -0.607 -14.907 6.766 1.00 0.00 O ATOM 1384 CB ALA A 89 -1.947 -13.394 4.151 1.00 0.00 C ATOM 0 H ALA A 89 -1.004 -11.171 4.708 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.376 -13.166 6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.235 -14.445 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.794 -12.779 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.115 -13.230 3.466 1.00 0.00 H new ATOM 1390 N ALA A 90 0.875 -13.528 5.726 1.00 0.00 N ATOM 1391 CA ALA A 90 2.099 -14.258 6.111 1.00 0.00 C ATOM 1392 C ALA A 90 2.308 -14.266 7.636 1.00 0.00 C ATOM 1393 O ALA A 90 2.727 -15.274 8.210 1.00 0.00 O ATOM 1394 CB ALA A 90 3.313 -13.636 5.410 1.00 0.00 C ATOM 0 H ALA A 90 1.060 -12.697 5.164 1.00 0.00 H new ATOM 0 HA ALA A 90 1.985 -15.295 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.215 -14.177 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.180 -13.697 4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.408 -12.591 5.705 1.00 0.00 H new ATOM 1400 N LYS A 91 2.003 -13.130 8.285 1.00 0.00 N ATOM 1401 CA LYS A 91 2.155 -12.988 9.747 1.00 0.00 C ATOM 1402 C LYS A 91 0.943 -13.596 10.476 1.00 0.00 C ATOM 1403 O LYS A 91 1.051 -14.003 11.644 1.00 0.00 O ATOM 1404 CB LYS A 91 2.327 -11.496 10.128 1.00 0.00 C ATOM 1405 CG LYS A 91 1.079 -10.622 9.877 1.00 0.00 C ATOM 1406 CD LYS A 91 1.219 -9.162 10.353 1.00 0.00 C ATOM 1407 CE LYS A 91 1.367 -9.029 11.877 1.00 0.00 C ATOM 1408 NZ LYS A 91 1.428 -7.619 12.297 1.00 0.00 N ATOM 0 H LYS A 91 1.649 -12.294 7.821 1.00 0.00 H new ATOM 0 HA LYS A 91 3.049 -13.529 10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.593 -11.432 11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.163 -11.084 9.563 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.857 -10.624 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.225 -11.076 10.381 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.086 -8.712 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.345 -8.597 10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.527 -9.519 12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.271 -9.545 12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.418 -7.350 12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.028 -7.017 11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.881 -7.494 13.172 1.00 0.00 H new