USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 635 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 27 SER OG : rot -36:sc= 0.0847 USER MOD Set 1.2: A 29 ASN :FLIP amide:sc= -0.411 F(o=-0.92,f=-0.33) USER MOD Set 2.1: A 23 THR OG1 : rot -39:sc= 1.13 USER MOD Set 2.2: A 26 THR OG1 : rot -170:sc= 1.11 USER MOD Single : A 3 THR OG1 : rot -160:sc= -0.0154 USER MOD Single : A 8 THR OG1 : rot 24:sc= 0.845 USER MOD Single : A 13 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.26) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00257 USER MOD Single : A 38 SER OG : rot 179:sc= 0.415 USER MOD Single : A 39 HIS : no HE2:sc= -1.07 X(o=-1.1,f=-0.82) USER MOD Single : A 40 MET CE :methyl -166:sc= -0.0424 (180deg=-0.301) USER MOD Single : A 41 ASN : amide:sc= -0.0768 X(o=-0.077,f=-0.1) USER MOD Single : A 45 SER OG : rot 85:sc= 1.17 USER MOD Single : A 49 HIS :FLIP no HE2:sc= 0.12 F(o=-0.47,f=0.12) USER MOD Single : A 50 TYR OH : rot -90:sc= -0.0115 USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= -2.42! (180deg=-3.72!) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0.00849 (180deg=0.00637) USER MOD Single : A 60 GLN : amide:sc=0.000579 X(o=0.00058,f=-0.016) USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= -0.0156 (180deg=-0.147) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0769 K(o=-0.077,f=-4.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 145:sc= 0.968 (180deg=0.153) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -10.057 3.298 6.356 1.00 0.00 N ATOM 21 CA PRO A 2 -10.020 4.698 6.831 1.00 0.00 C ATOM 22 C PRO A 2 -8.910 5.527 6.146 1.00 0.00 C ATOM 23 O PRO A 2 -8.535 6.595 6.635 1.00 0.00 O ATOM 24 CB PRO A 2 -9.723 4.480 8.327 1.00 0.00 C ATOM 25 CG PRO A 2 -8.754 3.326 8.351 1.00 0.00 C ATOM 26 CD PRO A 2 -9.092 2.461 7.137 1.00 0.00 C ATOM 0 HA PRO A 2 -10.928 5.263 6.619 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.291 5.372 8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.631 4.248 8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.725 3.681 8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.851 2.755 9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.202 2.227 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.537 1.511 7.434 1.00 0.00 H new ATOM 34 N THR A 3 -8.458 5.034 4.981 1.00 0.00 N ATOM 35 CA THR A 3 -7.206 5.451 4.342 1.00 0.00 C ATOM 36 C THR A 3 -7.246 6.887 3.822 1.00 0.00 C ATOM 37 O THR A 3 -6.503 7.704 4.328 1.00 0.00 O ATOM 38 CB THR A 3 -6.842 4.470 3.195 1.00 0.00 C ATOM 39 OG1 THR A 3 -7.953 4.355 2.284 1.00 0.00 O ATOM 40 CG2 THR A 3 -6.484 3.089 3.756 1.00 0.00 C ATOM 0 H THR A 3 -8.963 4.323 4.451 1.00 0.00 H new ATOM 0 HA THR A 3 -6.434 5.423 5.111 1.00 0.00 H new ATOM 0 HB THR A 3 -5.975 4.862 2.664 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.863 3.531 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.232 2.417 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.629 3.179 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.336 2.688 4.305 1.00 0.00 H new ATOM 48 N LEU A 4 -8.132 7.187 2.840 1.00 0.00 N ATOM 49 CA LEU A 4 -8.212 8.520 2.183 1.00 0.00 C ATOM 50 C LEU A 4 -8.296 9.658 3.227 1.00 0.00 C ATOM 51 O LEU A 4 -7.628 10.682 3.095 1.00 0.00 O ATOM 52 CB LEU A 4 -9.444 8.596 1.235 1.00 0.00 C ATOM 53 CG LEU A 4 -9.518 7.522 0.096 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.832 7.642 -0.708 1.00 0.00 C ATOM 55 CD2 LEU A 4 -8.292 7.605 -0.842 1.00 0.00 C ATOM 0 H LEU A 4 -8.810 6.515 2.481 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.300 8.648 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.346 8.513 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.459 9.584 0.774 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.506 6.543 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.851 6.883 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.681 7.497 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.892 8.631 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.377 6.846 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.252 8.593 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.382 7.435 -0.267 1.00 0.00 H new ATOM 67 N ASP A 5 -9.096 9.413 4.280 1.00 0.00 N ATOM 68 CA ASP A 5 -9.277 10.345 5.413 1.00 0.00 C ATOM 69 C ASP A 5 -7.992 10.506 6.237 1.00 0.00 C ATOM 70 O ASP A 5 -7.591 11.627 6.549 1.00 0.00 O ATOM 71 CB ASP A 5 -10.430 9.866 6.325 1.00 0.00 C ATOM 72 CG ASP A 5 -11.791 9.900 5.620 1.00 0.00 C ATOM 73 OD1 ASP A 5 -12.431 10.972 5.607 1.00 0.00 O ATOM 74 OD2 ASP A 5 -12.214 8.860 5.069 1.00 0.00 O ATOM 0 H ASP A 5 -9.641 8.556 4.372 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.526 11.319 4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.224 8.850 6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.470 10.494 7.215 1.00 0.00 H new ATOM 79 N ALA A 6 -7.369 9.373 6.607 1.00 0.00 N ATOM 80 CA ALA A 6 -6.088 9.351 7.349 1.00 0.00 C ATOM 81 C ALA A 6 -4.950 10.016 6.547 1.00 0.00 C ATOM 82 O ALA A 6 -4.059 10.658 7.114 1.00 0.00 O ATOM 83 CB ALA A 6 -5.718 7.901 7.713 1.00 0.00 C ATOM 0 H ALA A 6 -7.737 8.444 6.402 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.219 9.929 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.774 7.892 8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.502 7.471 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.615 7.312 6.802 1.00 0.00 H new ATOM 89 N LEU A 7 -5.012 9.879 5.221 1.00 0.00 N ATOM 90 CA LEU A 7 -3.999 10.406 4.305 1.00 0.00 C ATOM 91 C LEU A 7 -4.229 11.908 4.056 1.00 0.00 C ATOM 92 O LEU A 7 -3.310 12.595 3.630 1.00 0.00 O ATOM 93 CB LEU A 7 -4.004 9.612 2.966 1.00 0.00 C ATOM 94 CG LEU A 7 -3.695 8.081 3.055 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.732 7.419 1.659 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.355 7.813 3.773 1.00 0.00 C ATOM 0 H LEU A 7 -5.775 9.394 4.748 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.018 10.284 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.982 9.735 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.274 10.068 2.297 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.480 7.623 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.513 6.355 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.722 7.548 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.987 7.886 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.174 6.739 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.546 8.296 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.398 8.215 4.785 1.00 0.00 H new ATOM 108 N THR A 8 -5.453 12.417 4.335 1.00 0.00 N ATOM 109 CA THR A 8 -5.787 13.845 4.132 1.00 0.00 C ATOM 110 C THR A 8 -4.799 14.794 4.899 1.00 0.00 C ATOM 111 O THR A 8 -4.197 15.650 4.242 1.00 0.00 O ATOM 112 CB THR A 8 -7.281 14.165 4.489 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.152 13.279 3.775 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.666 15.618 4.160 1.00 0.00 C ATOM 0 H THR A 8 -6.224 11.859 4.701 1.00 0.00 H new ATOM 0 HA THR A 8 -5.665 14.040 3.066 1.00 0.00 H new ATOM 0 HB THR A 8 -7.389 14.025 5.565 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.666 12.461 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.709 15.787 4.426 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.032 16.300 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.530 15.798 3.094 1.00 0.00 H new ATOM 122 N PRO A 9 -4.571 14.646 6.271 1.00 0.00 N ATOM 123 CA PRO A 9 -3.563 15.465 7.008 1.00 0.00 C ATOM 124 C PRO A 9 -2.120 15.268 6.486 1.00 0.00 C ATOM 125 O PRO A 9 -1.304 16.195 6.551 1.00 0.00 O ATOM 126 CB PRO A 9 -3.693 14.994 8.488 1.00 0.00 C ATOM 127 CG PRO A 9 -5.046 14.359 8.562 1.00 0.00 C ATOM 128 CD PRO A 9 -5.263 13.720 7.211 1.00 0.00 C ATOM 0 HA PRO A 9 -3.753 16.531 6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.907 14.285 8.749 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.610 15.832 9.180 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.089 13.617 9.359 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.817 15.100 8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.840 12.716 7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.323 13.629 6.976 1.00 0.00 H new ATOM 136 N ILE A 10 -1.823 14.054 5.967 1.00 0.00 N ATOM 137 CA ILE A 10 -0.498 13.711 5.412 1.00 0.00 C ATOM 138 C ILE A 10 -0.177 14.605 4.197 1.00 0.00 C ATOM 139 O ILE A 10 0.806 15.340 4.216 1.00 0.00 O ATOM 140 CB ILE A 10 -0.399 12.193 4.993 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.630 11.246 6.219 1.00 0.00 C ATOM 142 CG2 ILE A 10 0.949 11.880 4.283 1.00 0.00 C ATOM 143 CD1 ILE A 10 0.415 11.356 7.321 1.00 0.00 C ATOM 0 H ILE A 10 -2.495 13.288 5.922 1.00 0.00 H new ATOM 0 HA ILE A 10 0.232 13.886 6.202 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.196 12.003 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.610 11.460 6.645 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.655 10.216 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.980 10.825 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.037 12.490 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.776 12.105 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.170 10.663 8.126 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.397 11.110 6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.427 12.374 7.710 1.00 0.00 H new ATOM 155 N PHE A 11 -1.051 14.552 3.174 1.00 0.00 N ATOM 156 CA PHE A 11 -0.868 15.297 1.912 1.00 0.00 C ATOM 157 C PHE A 11 -0.936 16.813 2.162 1.00 0.00 C ATOM 158 O PHE A 11 -0.124 17.574 1.627 1.00 0.00 O ATOM 159 CB PHE A 11 -1.939 14.877 0.864 1.00 0.00 C ATOM 160 CG PHE A 11 -1.747 13.483 0.250 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.824 12.331 1.028 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.524 13.328 -1.116 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.681 11.077 0.468 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.384 12.076 -1.673 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.466 10.949 -0.885 1.00 0.00 C ATOM 0 H PHE A 11 -1.903 13.992 3.198 1.00 0.00 H new ATOM 0 HA PHE A 11 0.118 15.054 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.920 14.915 1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.944 15.612 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.999 12.420 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.460 14.202 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.738 10.197 1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.209 11.977 -2.734 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.362 9.969 -1.327 1.00 0.00 H new ATOM 175 N ARG A 12 -1.901 17.242 3.000 1.00 0.00 N ATOM 176 CA ARG A 12 -2.050 18.656 3.394 1.00 0.00 C ATOM 177 C ARG A 12 -0.763 19.211 4.044 1.00 0.00 C ATOM 178 O ARG A 12 -0.426 20.370 3.843 1.00 0.00 O ATOM 179 CB ARG A 12 -3.258 18.839 4.357 1.00 0.00 C ATOM 180 CG ARG A 12 -4.650 18.712 3.691 1.00 0.00 C ATOM 181 CD ARG A 12 -5.798 18.933 4.700 1.00 0.00 C ATOM 182 NE ARG A 12 -7.122 18.948 4.060 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.279 19.229 4.687 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.302 19.547 5.981 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.410 19.202 4.012 1.00 0.00 N ATOM 0 H ARG A 12 -2.594 16.622 3.420 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.236 19.224 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.184 18.099 5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.184 19.820 4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.733 19.439 2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.748 17.724 3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.772 18.145 5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.641 19.877 5.222 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.167 18.729 3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.433 19.581 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.189 19.757 6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.406 18.969 3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.290 19.414 4.482 1.00 0.00 H new ATOM 199 N GLN A 13 -0.053 18.382 4.828 1.00 0.00 N ATOM 200 CA GLN A 13 1.214 18.795 5.472 1.00 0.00 C ATOM 201 C GLN A 13 2.381 18.810 4.452 1.00 0.00 C ATOM 202 O GLN A 13 3.095 19.821 4.333 1.00 0.00 O ATOM 203 CB GLN A 13 1.536 17.864 6.672 1.00 0.00 C ATOM 204 CG GLN A 13 2.781 18.277 7.491 1.00 0.00 C ATOM 205 CD GLN A 13 2.645 19.638 8.197 1.00 0.00 C ATOM 206 OE1 GLN A 13 1.558 20.045 8.605 1.00 0.00 O ATOM 207 NE2 GLN A 13 3.745 20.359 8.337 1.00 0.00 N ATOM 0 H GLN A 13 -0.331 17.422 5.033 1.00 0.00 H new ATOM 0 HA GLN A 13 1.092 19.811 5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.672 17.838 7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.682 16.850 6.299 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.981 17.510 8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.645 18.309 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.636 20.002 7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.702 21.272 8.791 1.00 0.00 H new ATOM 216 N VAL A 14 2.555 17.681 3.726 1.00 0.00 N ATOM 217 CA VAL A 14 3.642 17.480 2.729 1.00 0.00 C ATOM 218 C VAL A 14 3.678 18.608 1.671 1.00 0.00 C ATOM 219 O VAL A 14 4.707 19.272 1.488 1.00 0.00 O ATOM 220 CB VAL A 14 3.497 16.075 2.004 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.462 15.937 0.796 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.709 14.907 3.002 1.00 0.00 C ATOM 0 H VAL A 14 1.939 16.873 3.814 1.00 0.00 H new ATOM 0 HA VAL A 14 4.581 17.504 3.283 1.00 0.00 H new ATOM 0 HB VAL A 14 2.479 16.024 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.327 14.960 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.246 16.718 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.492 16.036 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.604 13.957 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.707 14.974 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.965 14.967 3.796 1.00 0.00 H new ATOM 232 N PHE A 15 2.535 18.828 1.004 1.00 0.00 N ATOM 233 CA PHE A 15 2.410 19.837 -0.070 1.00 0.00 C ATOM 234 C PHE A 15 2.222 21.257 0.512 1.00 0.00 C ATOM 235 O PHE A 15 2.364 22.242 -0.224 1.00 0.00 O ATOM 236 CB PHE A 15 1.227 19.480 -1.010 1.00 0.00 C ATOM 237 CG PHE A 15 1.396 18.147 -1.743 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.117 18.071 -2.927 1.00 0.00 C ATOM 239 CD2 PHE A 15 0.840 16.969 -1.244 1.00 0.00 C ATOM 240 CE1 PHE A 15 2.276 16.870 -3.584 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.001 15.771 -1.900 1.00 0.00 C ATOM 242 CZ PHE A 15 1.718 15.721 -3.071 1.00 0.00 C ATOM 0 H PHE A 15 1.672 18.316 1.189 1.00 0.00 H new ATOM 0 HA PHE A 15 3.335 19.830 -0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.308 19.447 -0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.108 20.275 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.560 18.966 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.273 16.998 -0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.840 16.830 -4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.564 14.870 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.844 14.781 -3.588 1.00 0.00 H new ATOM 252 N ASP A 16 1.876 21.327 1.828 1.00 0.00 N ATOM 253 CA ASP A 16 1.617 22.583 2.565 1.00 0.00 C ATOM 254 C ASP A 16 0.396 23.288 1.941 1.00 0.00 C ATOM 255 O ASP A 16 0.522 24.265 1.199 1.00 0.00 O ATOM 256 CB ASP A 16 2.880 23.494 2.631 1.00 0.00 C ATOM 257 CG ASP A 16 2.694 24.735 3.528 1.00 0.00 C ATOM 258 OD1 ASP A 16 2.637 24.580 4.765 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.593 25.869 3.010 1.00 0.00 O ATOM 0 H ASP A 16 1.769 20.496 2.409 1.00 0.00 H new ATOM 0 HA ASP A 16 1.383 22.351 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.722 22.909 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.138 23.819 1.623 1.00 0.00 H new ATOM 264 N ASP A 17 -0.786 22.733 2.236 1.00 0.00 N ATOM 265 CA ASP A 17 -2.050 23.069 1.560 1.00 0.00 C ATOM 266 C ASP A 17 -3.228 22.550 2.424 1.00 0.00 C ATOM 267 O ASP A 17 -3.009 22.038 3.525 1.00 0.00 O ATOM 268 CB ASP A 17 -2.049 22.439 0.122 1.00 0.00 C ATOM 269 CG ASP A 17 -3.099 23.049 -0.825 1.00 0.00 C ATOM 270 OD1 ASP A 17 -2.878 24.169 -1.318 1.00 0.00 O ATOM 271 OD2 ASP A 17 -4.158 22.425 -1.054 1.00 0.00 O ATOM 0 H ASP A 17 -0.895 22.026 2.963 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.161 24.147 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.060 22.564 -0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.228 21.367 0.205 1.00 0.00 H new ATOM 276 N ASP A 18 -4.465 22.684 1.921 1.00 0.00 N ATOM 277 CA ASP A 18 -5.695 22.251 2.627 1.00 0.00 C ATOM 278 C ASP A 18 -6.779 21.874 1.599 1.00 0.00 C ATOM 279 O ASP A 18 -7.618 21.003 1.855 1.00 0.00 O ATOM 280 CB ASP A 18 -6.211 23.376 3.573 1.00 0.00 C ATOM 281 CG ASP A 18 -7.377 22.931 4.483 1.00 0.00 C ATOM 282 OD1 ASP A 18 -7.109 22.405 5.585 1.00 0.00 O ATOM 283 OD2 ASP A 18 -8.560 23.121 4.113 1.00 0.00 O ATOM 0 H ASP A 18 -4.648 23.098 1.007 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.462 21.377 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.386 23.722 4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.534 24.225 2.971 1.00 0.00 H new ATOM 288 N SER A 19 -6.712 22.516 0.418 1.00 0.00 N ATOM 289 CA SER A 19 -7.720 22.375 -0.648 1.00 0.00 C ATOM 290 C SER A 19 -7.587 21.034 -1.401 1.00 0.00 C ATOM 291 O SER A 19 -8.499 20.656 -2.143 1.00 0.00 O ATOM 292 CB SER A 19 -7.628 23.567 -1.625 1.00 0.00 C ATOM 293 OG SER A 19 -7.859 24.792 -0.951 1.00 0.00 O ATOM 0 H SER A 19 -5.952 23.151 0.176 1.00 0.00 H new ATOM 0 HA SER A 19 -8.703 22.376 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.643 23.584 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.358 23.444 -2.425 1.00 0.00 H new ATOM 0 HG SER A 19 -7.794 25.533 -1.589 1.00 0.00 H new ATOM 299 N ILE A 20 -6.441 20.339 -1.213 1.00 0.00 N ATOM 300 CA ILE A 20 -6.234 18.964 -1.712 1.00 0.00 C ATOM 301 C ILE A 20 -7.330 18.039 -1.161 1.00 0.00 C ATOM 302 O ILE A 20 -7.438 17.865 0.058 1.00 0.00 O ATOM 303 CB ILE A 20 -4.813 18.399 -1.309 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.687 19.240 -1.983 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.659 16.890 -1.670 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.276 18.825 -1.613 1.00 0.00 C ATOM 0 H ILE A 20 -5.637 20.717 -0.712 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.286 18.997 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.722 18.483 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.799 19.171 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.825 20.287 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.668 16.545 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.417 16.311 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.784 16.758 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.561 19.466 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.139 18.922 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.113 17.788 -1.907 1.00 0.00 H new ATOM 318 N VAL A 21 -8.134 17.470 -2.066 1.00 0.00 N ATOM 319 CA VAL A 21 -9.202 16.519 -1.730 1.00 0.00 C ATOM 320 C VAL A 21 -8.875 15.205 -2.441 1.00 0.00 C ATOM 321 O VAL A 21 -8.907 15.125 -3.683 1.00 0.00 O ATOM 322 CB VAL A 21 -10.634 17.036 -2.140 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.742 15.987 -1.830 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.951 18.387 -1.449 1.00 0.00 C ATOM 0 H VAL A 21 -8.061 17.659 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.239 16.387 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.625 17.191 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.712 16.384 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.540 15.070 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.751 15.772 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.944 18.724 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.921 18.258 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.211 19.130 -1.746 1.00 0.00 H new ATOM 334 N LEU A 22 -8.501 14.207 -1.643 1.00 0.00 N ATOM 335 CA LEU A 22 -8.088 12.898 -2.127 1.00 0.00 C ATOM 336 C LEU A 22 -9.289 12.107 -2.629 1.00 0.00 C ATOM 337 O LEU A 22 -10.295 11.962 -1.930 1.00 0.00 O ATOM 338 CB LEU A 22 -7.372 12.118 -1.002 1.00 0.00 C ATOM 339 CG LEU A 22 -6.105 12.815 -0.428 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.479 11.977 0.696 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.078 13.117 -1.548 1.00 0.00 C ATOM 0 H LEU A 22 -8.477 14.290 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.396 13.040 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.078 11.952 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.088 11.137 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.411 13.769 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.595 12.486 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.203 11.849 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.194 11.000 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.203 13.604 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.776 12.185 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.531 13.775 -2.290 1.00 0.00 H new ATOM 353 N THR A 23 -9.154 11.605 -3.852 1.00 0.00 N ATOM 354 CA THR A 23 -10.092 10.671 -4.469 1.00 0.00 C ATOM 355 C THR A 23 -9.272 9.468 -4.942 1.00 0.00 C ATOM 356 O THR A 23 -8.028 9.538 -4.991 1.00 0.00 O ATOM 357 CB THR A 23 -10.877 11.320 -5.666 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.962 11.772 -6.672 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.753 12.504 -5.211 1.00 0.00 C ATOM 0 H THR A 23 -8.369 11.842 -4.458 1.00 0.00 H new ATOM 0 HA THR A 23 -10.850 10.373 -3.745 1.00 0.00 H new ATOM 0 HB THR A 23 -11.532 10.550 -6.074 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.173 12.165 -6.244 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.277 12.921 -6.071 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.480 12.157 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.123 13.272 -4.763 1.00 0.00 H new ATOM 367 N ARG A 24 -9.950 8.367 -5.275 1.00 0.00 N ATOM 368 CA ARG A 24 -9.293 7.140 -5.739 1.00 0.00 C ATOM 369 C ARG A 24 -8.452 7.384 -7.009 1.00 0.00 C ATOM 370 O ARG A 24 -7.436 6.740 -7.204 1.00 0.00 O ATOM 371 CB ARG A 24 -10.332 6.029 -6.009 1.00 0.00 C ATOM 372 CG ARG A 24 -11.107 5.545 -4.765 1.00 0.00 C ATOM 373 CD ARG A 24 -12.145 4.471 -5.129 1.00 0.00 C ATOM 374 NE ARG A 24 -12.874 3.958 -3.960 1.00 0.00 N ATOM 375 CZ ARG A 24 -13.962 3.176 -4.024 1.00 0.00 C ATOM 376 NH1 ARG A 24 -14.493 2.843 -5.200 1.00 0.00 N ATOM 377 NH2 ARG A 24 -14.504 2.721 -2.913 1.00 0.00 N ATOM 0 H ARG A 24 -10.967 8.300 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.621 6.818 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.048 6.393 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.822 5.176 -6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.407 5.142 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.608 6.392 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.858 4.888 -5.840 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.643 3.643 -5.629 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.528 4.215 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.072 3.183 -6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.320 2.248 -5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.096 2.964 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.331 2.126 -2.956 1.00 0.00 H new ATOM 391 N GLU A 25 -8.884 8.323 -7.855 1.00 0.00 N ATOM 392 CA GLU A 25 -8.240 8.589 -9.158 1.00 0.00 C ATOM 393 C GLU A 25 -7.043 9.570 -9.056 1.00 0.00 C ATOM 394 O GLU A 25 -6.215 9.611 -9.972 1.00 0.00 O ATOM 395 CB GLU A 25 -9.299 9.133 -10.146 1.00 0.00 C ATOM 396 CG GLU A 25 -9.992 10.423 -9.677 1.00 0.00 C ATOM 397 CD GLU A 25 -10.946 11.012 -10.713 1.00 0.00 C ATOM 398 OE1 GLU A 25 -12.089 10.521 -10.836 1.00 0.00 O ATOM 399 OE2 GLU A 25 -10.566 11.983 -11.406 1.00 0.00 O ATOM 0 H GLU A 25 -9.687 8.922 -7.663 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.831 7.646 -9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.821 9.319 -11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.056 8.366 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.545 10.216 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.233 11.165 -9.430 1.00 0.00 H new ATOM 406 N THR A 26 -6.949 10.332 -7.941 1.00 0.00 N ATOM 407 CA THR A 26 -5.938 11.413 -7.781 1.00 0.00 C ATOM 408 C THR A 26 -4.499 10.864 -7.845 1.00 0.00 C ATOM 409 O THR A 26 -4.109 10.079 -7.002 1.00 0.00 O ATOM 410 CB THR A 26 -6.136 12.174 -6.424 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.472 12.682 -6.357 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.139 13.340 -6.241 1.00 0.00 C ATOM 0 H THR A 26 -7.562 10.220 -7.134 1.00 0.00 H new ATOM 0 HA THR A 26 -6.086 12.104 -8.610 1.00 0.00 H new ATOM 0 HB THR A 26 -5.950 11.459 -5.623 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.554 13.288 -5.591 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.323 13.830 -5.285 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.120 12.954 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.269 14.060 -7.049 1.00 0.00 H new ATOM 420 N SER A 27 -3.728 11.279 -8.850 1.00 0.00 N ATOM 421 CA SER A 27 -2.319 10.886 -9.008 1.00 0.00 C ATOM 422 C SER A 27 -1.445 12.138 -9.142 1.00 0.00 C ATOM 423 O SER A 27 -1.931 13.271 -9.001 1.00 0.00 O ATOM 424 CB SER A 27 -2.162 9.972 -10.244 1.00 0.00 C ATOM 425 OG SER A 27 -2.473 10.655 -11.433 1.00 0.00 O ATOM 0 H SER A 27 -4.062 11.902 -9.585 1.00 0.00 H new ATOM 0 HA SER A 27 -1.996 10.330 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.139 9.599 -10.294 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.813 9.104 -10.141 1.00 0.00 H new ATOM 0 HG SER A 27 -3.215 11.274 -11.270 1.00 0.00 H new ATOM 431 N ALA A 28 -0.148 11.917 -9.388 1.00 0.00 N ATOM 432 CA ALA A 28 0.839 12.991 -9.578 1.00 0.00 C ATOM 433 C ALA A 28 0.523 13.913 -10.777 1.00 0.00 C ATOM 434 O ALA A 28 0.985 15.050 -10.807 1.00 0.00 O ATOM 435 CB ALA A 28 2.242 12.388 -9.684 1.00 0.00 C ATOM 0 H ALA A 28 0.251 10.981 -9.462 1.00 0.00 H new ATOM 0 HA ALA A 28 0.789 13.637 -8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.971 13.186 -9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.473 11.842 -8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.282 11.706 -10.533 1.00 0.00 H new ATOM 441 N ASN A 29 -0.272 13.433 -11.754 1.00 0.00 N ATOM 442 CA ASN A 29 -0.676 14.269 -12.914 1.00 0.00 C ATOM 443 C ASN A 29 -1.820 15.238 -12.524 1.00 0.00 C ATOM 444 O ASN A 29 -1.991 16.290 -13.150 1.00 0.00 O ATOM 445 CB ASN A 29 -1.058 13.408 -14.158 1.00 0.00 C ATOM 446 CG ASN A 29 -2.520 12.944 -14.224 1.00 0.00 C ATOM 447 OD1 ASN A 29 -2.797 11.728 -13.803 1.00 0.00 O flip ATOM 448 ND2 ASN A 29 -3.389 13.672 -14.694 1.00 0.00 N flip ATOM 0 H ASN A 29 -0.646 12.484 -11.769 1.00 0.00 H new ATOM 0 HA ASN A 29 0.191 14.865 -13.201 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.838 13.984 -15.057 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.416 12.528 -14.179 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.150 14.611 -15.014 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.350 13.338 -14.765 1.00 0.00 H new ATOM 455 N ASP A 30 -2.600 14.867 -11.486 1.00 0.00 N ATOM 456 CA ASP A 30 -3.730 15.680 -10.973 1.00 0.00 C ATOM 457 C ASP A 30 -3.232 16.817 -10.064 1.00 0.00 C ATOM 458 O ASP A 30 -3.960 17.787 -9.821 1.00 0.00 O ATOM 459 CB ASP A 30 -4.732 14.783 -10.195 1.00 0.00 C ATOM 460 CG ASP A 30 -5.362 13.690 -11.074 1.00 0.00 C ATOM 461 OD1 ASP A 30 -4.666 12.702 -11.386 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.538 13.817 -11.470 1.00 0.00 O ATOM 0 H ASP A 30 -2.465 13.993 -10.977 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.236 16.124 -11.830 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.218 14.316 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.522 15.407 -9.777 1.00 0.00 H new ATOM 467 N ILE A 31 -1.996 16.680 -9.545 1.00 0.00 N ATOM 468 CA ILE A 31 -1.354 17.699 -8.693 1.00 0.00 C ATOM 469 C ILE A 31 -0.015 18.117 -9.337 1.00 0.00 C ATOM 470 O ILE A 31 0.933 17.335 -9.364 1.00 0.00 O ATOM 471 CB ILE A 31 -1.121 17.172 -7.214 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.478 16.743 -6.555 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.388 18.236 -6.346 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.381 16.225 -5.122 1.00 0.00 C ATOM 0 H ILE A 31 -1.414 15.858 -9.705 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.018 18.561 -8.621 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.480 16.292 -7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.154 17.598 -6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.932 15.968 -7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.243 17.846 -5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.581 18.463 -6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.988 19.145 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.375 15.957 -4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.737 15.346 -5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.962 17.001 -4.482 1.00 0.00 H new ATOM 486 N ASP A 32 0.025 19.350 -9.866 1.00 0.00 N ATOM 487 CA ASP A 32 1.209 19.931 -10.541 1.00 0.00 C ATOM 488 C ASP A 32 2.408 20.061 -9.572 1.00 0.00 C ATOM 489 O ASP A 32 3.565 19.992 -9.993 1.00 0.00 O ATOM 490 CB ASP A 32 0.837 21.321 -11.144 1.00 0.00 C ATOM 491 CG ASP A 32 1.971 21.964 -11.983 1.00 0.00 C ATOM 492 OD1 ASP A 32 2.114 21.618 -13.172 1.00 0.00 O ATOM 493 OD2 ASP A 32 2.713 22.824 -11.454 1.00 0.00 O ATOM 0 H ASP A 32 -0.773 19.985 -9.839 1.00 0.00 H new ATOM 0 HA ASP A 32 1.512 19.258 -11.343 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.047 21.209 -11.771 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.569 21.998 -10.333 1.00 0.00 H new ATOM 498 N ALA A 33 2.117 20.246 -8.279 1.00 0.00 N ATOM 499 CA ALA A 33 3.151 20.324 -7.226 1.00 0.00 C ATOM 500 C ALA A 33 3.792 18.955 -6.921 1.00 0.00 C ATOM 501 O ALA A 33 4.869 18.893 -6.321 1.00 0.00 O ATOM 502 CB ALA A 33 2.547 20.916 -5.946 1.00 0.00 C ATOM 0 H ALA A 33 1.164 20.346 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 33 3.943 20.973 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.314 20.971 -5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.167 21.917 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.730 20.282 -5.602 1.00 0.00 H new ATOM 508 N TRP A 34 3.104 17.861 -7.305 1.00 0.00 N ATOM 509 CA TRP A 34 3.533 16.484 -7.010 1.00 0.00 C ATOM 510 C TRP A 34 4.608 16.029 -8.019 1.00 0.00 C ATOM 511 O TRP A 34 4.336 15.879 -9.215 1.00 0.00 O ATOM 512 CB TRP A 34 2.294 15.531 -7.041 1.00 0.00 C ATOM 513 CG TRP A 34 2.418 14.228 -6.273 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.555 13.606 -5.832 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.326 13.378 -5.883 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.233 12.456 -5.165 1.00 0.00 N ATOM 517 CE2 TRP A 34 1.876 12.285 -5.198 1.00 0.00 C ATOM 518 CE3 TRP A 34 -0.061 13.446 -6.044 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.091 11.259 -4.684 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.841 12.429 -5.533 1.00 0.00 C ATOM 521 CH2 TRP A 34 -0.260 11.347 -4.860 1.00 0.00 C ATOM 0 H TRP A 34 2.231 17.911 -7.831 1.00 0.00 H new ATOM 0 HA TRP A 34 3.974 16.449 -6.014 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.435 16.076 -6.650 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.073 15.293 -8.082 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.560 13.970 -5.988 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.898 11.827 -4.715 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.514 14.280 -6.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.534 10.422 -4.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.914 12.468 -5.654 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.895 10.565 -4.471 1.00 0.00 H new ATOM 532 N ASP A 35 5.823 15.812 -7.498 1.00 0.00 N ATOM 533 CA ASP A 35 6.985 15.278 -8.240 1.00 0.00 C ATOM 534 C ASP A 35 7.471 14.003 -7.540 1.00 0.00 C ATOM 535 O ASP A 35 6.932 13.641 -6.483 1.00 0.00 O ATOM 536 CB ASP A 35 8.137 16.326 -8.296 1.00 0.00 C ATOM 537 CG ASP A 35 7.823 17.514 -9.216 1.00 0.00 C ATOM 538 OD1 ASP A 35 7.247 18.513 -8.740 1.00 0.00 O ATOM 539 OD2 ASP A 35 8.143 17.441 -10.421 1.00 0.00 O ATOM 0 H ASP A 35 6.036 16.007 -6.520 1.00 0.00 H new ATOM 0 HA ASP A 35 6.685 15.054 -9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.334 16.695 -7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.049 15.838 -8.641 1.00 0.00 H new ATOM 544 N SER A 36 8.495 13.333 -8.118 1.00 0.00 N ATOM 545 CA SER A 36 9.171 12.178 -7.490 1.00 0.00 C ATOM 546 C SER A 36 9.735 12.567 -6.100 1.00 0.00 C ATOM 547 O SER A 36 9.765 11.759 -5.170 1.00 0.00 O ATOM 548 CB SER A 36 10.323 11.678 -8.400 1.00 0.00 C ATOM 549 OG SER A 36 9.934 11.589 -9.784 1.00 0.00 O ATOM 0 H SER A 36 8.874 13.579 -9.032 1.00 0.00 H new ATOM 0 HA SER A 36 8.440 11.379 -7.361 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.174 12.353 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.655 10.699 -8.056 1.00 0.00 H new ATOM 0 HG SER A 36 10.693 11.272 -10.317 1.00 0.00 H new ATOM 554 N LEU A 37 10.175 13.835 -5.997 1.00 0.00 N ATOM 555 CA LEU A 37 10.667 14.432 -4.744 1.00 0.00 C ATOM 556 C LEU A 37 9.526 14.524 -3.712 1.00 0.00 C ATOM 557 O LEU A 37 9.720 14.201 -2.533 1.00 0.00 O ATOM 558 CB LEU A 37 11.309 15.823 -5.041 1.00 0.00 C ATOM 559 CG LEU A 37 12.067 16.566 -3.871 1.00 0.00 C ATOM 560 CD1 LEU A 37 11.116 17.343 -2.932 1.00 0.00 C ATOM 561 CD2 LEU A 37 12.967 15.592 -3.070 1.00 0.00 C ATOM 0 H LEU A 37 10.199 14.478 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 37 11.439 13.796 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.012 15.695 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.519 16.484 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 37 12.707 17.308 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.696 17.831 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.574 18.095 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.406 16.651 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.473 16.137 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.353 14.802 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.709 15.151 -3.736 1.00 0.00 H new ATOM 573 N SER A 38 8.335 14.944 -4.164 1.00 0.00 N ATOM 574 CA SER A 38 7.147 15.054 -3.295 1.00 0.00 C ATOM 575 C SER A 38 6.688 13.658 -2.820 1.00 0.00 C ATOM 576 O SER A 38 6.125 13.526 -1.731 1.00 0.00 O ATOM 577 CB SER A 38 6.015 15.780 -4.037 1.00 0.00 C ATOM 578 OG SER A 38 6.492 16.983 -4.617 1.00 0.00 O ATOM 0 H SER A 38 8.166 15.215 -5.133 1.00 0.00 H new ATOM 0 HA SER A 38 7.412 15.638 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.607 15.132 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.202 16.000 -3.345 1.00 0.00 H new ATOM 0 HG SER A 38 5.765 17.421 -5.107 1.00 0.00 H new ATOM 584 N HIS A 39 6.947 12.628 -3.663 1.00 0.00 N ATOM 585 CA HIS A 39 6.766 11.213 -3.289 1.00 0.00 C ATOM 586 C HIS A 39 7.701 10.831 -2.130 1.00 0.00 C ATOM 587 O HIS A 39 7.270 10.186 -1.193 1.00 0.00 O ATOM 588 CB HIS A 39 6.996 10.257 -4.489 1.00 0.00 C ATOM 589 CG HIS A 39 5.869 10.249 -5.483 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.715 9.564 -5.221 1.00 0.00 N ATOM 591 CD2 HIS A 39 5.774 10.815 -6.707 1.00 0.00 C ATOM 592 CE1 HIS A 39 3.955 9.723 -6.274 1.00 0.00 C ATOM 593 NE2 HIS A 39 4.548 10.474 -7.203 1.00 0.00 N ATOM 0 H HIS A 39 7.286 12.759 -4.616 1.00 0.00 H new ATOM 0 HA HIS A 39 5.731 11.101 -2.967 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.916 10.544 -4.999 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.143 9.245 -4.112 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.492 9.037 -4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.522 11.420 -7.198 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.968 9.298 -6.378 1.00 0.00 H new ATOM 601 N MET A 40 8.979 11.254 -2.189 1.00 0.00 N ATOM 602 CA MET A 40 9.963 10.979 -1.106 1.00 0.00 C ATOM 603 C MET A 40 9.446 11.509 0.245 1.00 0.00 C ATOM 604 O MET A 40 9.524 10.819 1.269 1.00 0.00 O ATOM 605 CB MET A 40 11.349 11.593 -1.441 1.00 0.00 C ATOM 606 CG MET A 40 12.003 10.999 -2.692 1.00 0.00 C ATOM 607 SD MET A 40 12.241 9.211 -2.563 1.00 0.00 S ATOM 608 CE MET A 40 13.402 9.096 -1.201 1.00 0.00 C ATOM 0 H MET A 40 9.360 11.787 -2.971 1.00 0.00 H new ATOM 0 HA MET A 40 10.084 9.899 -1.029 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.236 12.668 -1.578 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.015 11.448 -0.591 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.383 11.218 -3.562 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.967 11.480 -2.858 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.827 8.093 -1.169 1.00 0.00 H new ATOM 0 HE2 MET A 40 14.201 9.825 -1.341 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.885 9.300 -0.264 1.00 0.00 H new ATOM 618 N ASN A 41 8.860 12.718 0.202 1.00 0.00 N ATOM 619 CA ASN A 41 8.227 13.359 1.373 1.00 0.00 C ATOM 620 C ASN A 41 6.947 12.606 1.801 1.00 0.00 C ATOM 621 O ASN A 41 6.654 12.515 3.000 1.00 0.00 O ATOM 622 CB ASN A 41 7.911 14.847 1.085 1.00 0.00 C ATOM 623 CG ASN A 41 9.172 15.696 0.954 1.00 0.00 C ATOM 624 OD1 ASN A 41 9.701 16.191 1.944 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.670 15.871 -0.259 1.00 0.00 N ATOM 0 H ASN A 41 8.811 13.281 -0.647 1.00 0.00 H new ATOM 0 HA ASN A 41 8.937 13.312 2.198 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.330 14.921 0.166 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.290 15.245 1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.514 16.429 -0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.210 15.448 -1.065 1.00 0.00 H new ATOM 632 N LEU A 42 6.201 12.067 0.816 1.00 0.00 N ATOM 633 CA LEU A 42 4.986 11.248 1.062 1.00 0.00 C ATOM 634 C LEU A 42 5.327 10.016 1.918 1.00 0.00 C ATOM 635 O LEU A 42 4.802 9.868 3.024 1.00 0.00 O ATOM 636 CB LEU A 42 4.313 10.808 -0.298 1.00 0.00 C ATOM 637 CG LEU A 42 2.906 11.397 -0.606 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.891 10.983 0.467 1.00 0.00 C ATOM 639 CD2 LEU A 42 2.962 12.924 -0.770 1.00 0.00 C ATOM 0 H LEU A 42 6.419 12.184 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 42 4.272 11.863 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.982 11.083 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.235 9.721 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 42 2.571 10.982 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.916 11.408 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.816 9.896 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.219 11.351 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.963 13.304 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.332 13.375 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.631 13.177 -1.593 1.00 0.00 H new ATOM 651 N ILE A 43 6.251 9.180 1.398 1.00 0.00 N ATOM 652 CA ILE A 43 6.624 7.891 2.009 1.00 0.00 C ATOM 653 C ILE A 43 7.132 8.106 3.442 1.00 0.00 C ATOM 654 O ILE A 43 6.594 7.507 4.358 1.00 0.00 O ATOM 655 CB ILE A 43 7.690 7.090 1.137 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.034 6.409 -0.115 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.446 6.014 1.963 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.408 7.338 -1.128 1.00 0.00 C ATOM 0 H ILE A 43 6.760 9.384 0.538 1.00 0.00 H new ATOM 0 HA ILE A 43 5.725 7.275 2.043 1.00 0.00 H new ATOM 0 HB ILE A 43 8.409 7.837 0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.795 5.815 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.268 5.716 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.160 5.498 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.978 6.493 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.732 5.294 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.988 6.754 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.616 7.916 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.167 8.016 -1.518 1.00 0.00 H new ATOM 670 N VAL A 44 8.115 9.014 3.630 1.00 0.00 N ATOM 671 CA VAL A 44 8.737 9.244 4.951 1.00 0.00 C ATOM 672 C VAL A 44 7.720 9.735 6.006 1.00 0.00 C ATOM 673 O VAL A 44 7.876 9.447 7.194 1.00 0.00 O ATOM 674 CB VAL A 44 9.953 10.235 4.878 1.00 0.00 C ATOM 675 CG1 VAL A 44 11.068 9.681 3.962 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.518 11.653 4.433 1.00 0.00 C ATOM 0 H VAL A 44 8.494 9.598 2.884 1.00 0.00 H new ATOM 0 HA VAL A 44 9.111 8.270 5.267 1.00 0.00 H new ATOM 0 HB VAL A 44 10.357 10.324 5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.897 10.388 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.420 8.726 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.674 9.538 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.390 12.306 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.062 11.600 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.796 12.052 5.145 1.00 0.00 H new ATOM 686 N SER A 45 6.688 10.482 5.565 1.00 0.00 N ATOM 687 CA SER A 45 5.569 10.898 6.439 1.00 0.00 C ATOM 688 C SER A 45 4.723 9.682 6.854 1.00 0.00 C ATOM 689 O SER A 45 4.376 9.522 8.024 1.00 0.00 O ATOM 690 CB SER A 45 4.694 11.944 5.729 1.00 0.00 C ATOM 691 OG SER A 45 5.442 13.106 5.422 1.00 0.00 O ATOM 0 H SER A 45 6.605 10.812 4.603 1.00 0.00 H new ATOM 0 HA SER A 45 5.986 11.348 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.283 11.519 4.813 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.849 12.208 6.365 1.00 0.00 H new ATOM 0 HG SER A 45 5.909 12.979 4.570 1.00 0.00 H new ATOM 697 N LEU A 46 4.442 8.808 5.884 1.00 0.00 N ATOM 698 CA LEU A 46 3.635 7.591 6.103 1.00 0.00 C ATOM 699 C LEU A 46 4.372 6.587 7.026 1.00 0.00 C ATOM 700 O LEU A 46 3.746 5.881 7.830 1.00 0.00 O ATOM 701 CB LEU A 46 3.299 6.947 4.733 1.00 0.00 C ATOM 702 CG LEU A 46 2.486 7.831 3.730 1.00 0.00 C ATOM 703 CD1 LEU A 46 2.305 7.132 2.360 1.00 0.00 C ATOM 704 CD2 LEU A 46 1.129 8.242 4.321 1.00 0.00 C ATOM 0 H LEU A 46 4.765 8.918 4.923 1.00 0.00 H new ATOM 0 HA LEU A 46 2.708 7.866 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.234 6.657 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.737 6.031 4.915 1.00 0.00 H new ATOM 0 HG LEU A 46 3.068 8.737 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.735 7.780 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.283 6.931 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.769 6.193 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.589 8.855 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.546 7.350 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.288 8.813 5.236 1.00 0.00 H new ATOM 716 N GLU A 47 5.712 6.578 6.913 1.00 0.00 N ATOM 717 CA GLU A 47 6.605 5.744 7.734 1.00 0.00 C ATOM 718 C GLU A 47 6.533 6.175 9.205 1.00 0.00 C ATOM 719 O GLU A 47 6.211 5.372 10.076 1.00 0.00 O ATOM 720 CB GLU A 47 8.076 5.864 7.232 1.00 0.00 C ATOM 721 CG GLU A 47 8.327 5.349 5.802 1.00 0.00 C ATOM 722 CD GLU A 47 8.188 3.830 5.645 1.00 0.00 C ATOM 723 OE1 GLU A 47 9.200 3.107 5.820 1.00 0.00 O ATOM 724 OE2 GLU A 47 7.088 3.352 5.329 1.00 0.00 O ATOM 0 H GLU A 47 6.211 7.158 6.239 1.00 0.00 H new ATOM 0 HA GLU A 47 6.280 4.707 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.375 6.911 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.722 5.315 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.627 5.838 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.330 5.644 5.493 1.00 0.00 H new ATOM 731 N VAL A 48 6.837 7.461 9.461 1.00 0.00 N ATOM 732 CA VAL A 48 6.984 7.987 10.827 1.00 0.00 C ATOM 733 C VAL A 48 5.644 8.060 11.589 1.00 0.00 C ATOM 734 O VAL A 48 5.609 7.830 12.802 1.00 0.00 O ATOM 735 CB VAL A 48 7.694 9.390 10.840 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.117 9.300 10.239 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.856 10.480 10.121 1.00 0.00 C ATOM 0 H VAL A 48 6.986 8.158 8.732 1.00 0.00 H new ATOM 0 HA VAL A 48 7.619 7.272 11.351 1.00 0.00 H new ATOM 0 HB VAL A 48 7.781 9.691 11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.584 10.285 10.261 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.715 8.601 10.824 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.055 8.950 9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.388 11.431 10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.698 10.191 9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.892 10.585 10.619 1.00 0.00 H new ATOM 747 N HIS A 49 4.557 8.427 10.883 1.00 0.00 N ATOM 748 CA HIS A 49 3.217 8.559 11.487 1.00 0.00 C ATOM 749 C HIS A 49 2.592 7.191 11.815 1.00 0.00 C ATOM 750 O HIS A 49 2.218 6.936 12.965 1.00 0.00 O ATOM 751 CB HIS A 49 2.271 9.400 10.582 1.00 0.00 C ATOM 752 CG HIS A 49 2.534 10.887 10.621 1.00 0.00 C ATOM 753 ND1 HIS A 49 3.211 11.701 9.781 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 2.072 11.700 11.634 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 3.157 12.965 10.295 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 2.457 12.938 11.413 1.00 0.00 N flip ATOM 0 H HIS A 49 4.582 8.639 9.886 1.00 0.00 H new ATOM 0 HA HIS A 49 3.346 9.090 12.430 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.368 9.053 9.553 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.240 9.217 10.885 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.678 11.422 8.918 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.485 11.371 12.479 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.612 13.842 9.858 1.00 0.00 H new ATOM 765 N TYR A 50 2.500 6.307 10.815 1.00 0.00 N ATOM 766 CA TYR A 50 1.773 5.023 10.954 1.00 0.00 C ATOM 767 C TYR A 50 2.672 3.912 11.533 1.00 0.00 C ATOM 768 O TYR A 50 2.159 2.911 12.046 1.00 0.00 O ATOM 769 CB TYR A 50 1.193 4.587 9.588 1.00 0.00 C ATOM 770 CG TYR A 50 0.196 5.585 8.966 1.00 0.00 C ATOM 771 CD1 TYR A 50 0.645 6.686 8.233 1.00 0.00 C ATOM 772 CD2 TYR A 50 -1.187 5.435 9.125 1.00 0.00 C ATOM 773 CE1 TYR A 50 -0.239 7.587 7.683 1.00 0.00 C ATOM 774 CE2 TYR A 50 -2.073 6.340 8.575 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.592 7.411 7.857 1.00 0.00 C ATOM 776 OH TYR A 50 -2.470 8.314 7.314 1.00 0.00 O ATOM 0 H TYR A 50 2.918 6.450 9.896 1.00 0.00 H new ATOM 0 HA TYR A 50 0.956 5.182 11.658 1.00 0.00 H new ATOM 0 HB2 TYR A 50 2.017 4.434 8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.696 3.625 9.710 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.706 6.833 8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.568 4.596 9.688 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.129 8.430 7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.137 6.208 8.707 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.640 9.033 7.958 1.00 0.00 H new ATOM 786 N LYS A 51 4.011 4.133 11.485 1.00 0.00 N ATOM 787 CA LYS A 51 5.044 3.121 11.824 1.00 0.00 C ATOM 788 C LYS A 51 4.846 1.850 10.978 1.00 0.00 C ATOM 789 O LYS A 51 4.837 0.723 11.496 1.00 0.00 O ATOM 790 CB LYS A 51 5.129 2.808 13.356 1.00 0.00 C ATOM 791 CG LYS A 51 5.708 3.944 14.248 1.00 0.00 C ATOM 792 CD LYS A 51 4.791 5.191 14.400 1.00 0.00 C ATOM 793 CE LYS A 51 3.573 4.978 15.330 1.00 0.00 C ATOM 794 NZ LYS A 51 2.610 3.958 14.832 1.00 0.00 N ATOM 0 H LYS A 51 4.408 5.030 11.206 1.00 0.00 H new ATOM 0 HA LYS A 51 6.012 3.554 11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.129 2.565 13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.742 1.917 13.492 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.913 3.539 15.239 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.663 4.263 13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.386 6.020 14.784 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.433 5.486 13.414 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.928 4.678 16.316 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.051 5.927 15.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.641 4.250 15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.701 3.869 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.814 3.041 15.278 1.00 0.00 H new ATOM 808 N ILE A 52 4.679 2.063 9.660 1.00 0.00 N ATOM 809 CA ILE A 52 4.508 0.985 8.673 1.00 0.00 C ATOM 810 C ILE A 52 5.685 1.024 7.681 1.00 0.00 C ATOM 811 O ILE A 52 6.632 1.807 7.866 1.00 0.00 O ATOM 812 CB ILE A 52 3.103 1.068 7.945 1.00 0.00 C ATOM 813 CG1 ILE A 52 2.912 2.427 7.190 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.949 0.830 8.963 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.533 2.611 6.558 1.00 0.00 C ATOM 0 H ILE A 52 4.659 2.996 9.248 1.00 0.00 H new ATOM 0 HA ILE A 52 4.515 0.024 9.187 1.00 0.00 H new ATOM 0 HB ILE A 52 3.075 0.279 7.193 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.090 3.245 7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.669 2.504 6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.991 0.890 8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.058 -0.157 9.412 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.990 1.590 9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.489 3.578 6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.357 1.817 5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.769 2.569 7.334 1.00 0.00 H new ATOM 827 N LYS A 53 5.646 0.157 6.670 1.00 0.00 N ATOM 828 CA LYS A 53 6.759 -0.042 5.728 1.00 0.00 C ATOM 829 C LYS A 53 6.259 0.118 4.287 1.00 0.00 C ATOM 830 O LYS A 53 5.335 -0.571 3.889 1.00 0.00 O ATOM 831 CB LYS A 53 7.380 -1.459 5.987 1.00 0.00 C ATOM 832 CG LYS A 53 8.475 -1.940 4.981 1.00 0.00 C ATOM 833 CD LYS A 53 7.897 -2.724 3.770 1.00 0.00 C ATOM 834 CE LYS A 53 8.962 -3.105 2.735 1.00 0.00 C ATOM 835 NZ LYS A 53 8.366 -3.809 1.570 1.00 0.00 N ATOM 0 H LYS A 53 4.838 -0.434 6.476 1.00 0.00 H new ATOM 0 HA LYS A 53 7.535 0.708 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.812 -1.463 6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.572 -2.190 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.027 -1.074 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.189 -2.573 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.409 -3.630 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.129 -2.120 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.476 -2.207 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.712 -3.744 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.117 -4.067 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.882 -4.670 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.681 -3.184 1.100 1.00 0.00 H new ATOM 849 N PHE A 54 6.869 1.035 3.518 1.00 0.00 N ATOM 850 CA PHE A 54 6.690 1.119 2.053 1.00 0.00 C ATOM 851 C PHE A 54 8.040 0.876 1.379 1.00 0.00 C ATOM 852 O PHE A 54 9.052 1.470 1.771 1.00 0.00 O ATOM 853 CB PHE A 54 6.135 2.500 1.601 1.00 0.00 C ATOM 854 CG PHE A 54 4.733 2.812 2.112 1.00 0.00 C ATOM 855 CD1 PHE A 54 4.547 3.432 3.336 1.00 0.00 C ATOM 856 CD2 PHE A 54 3.596 2.486 1.364 1.00 0.00 C ATOM 857 CE1 PHE A 54 3.288 3.720 3.795 1.00 0.00 C ATOM 858 CE2 PHE A 54 2.331 2.783 1.839 1.00 0.00 C ATOM 859 CZ PHE A 54 2.179 3.399 3.049 1.00 0.00 C ATOM 0 H PHE A 54 7.502 1.742 3.892 1.00 0.00 H new ATOM 0 HA PHE A 54 5.961 0.363 1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.815 3.281 1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.128 2.537 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.406 3.692 3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.707 1.998 0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.166 4.204 4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.461 2.527 1.252 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.191 3.633 3.418 1.00 0.00 H new ATOM 869 N ALA A 55 8.050 -0.005 0.377 1.00 0.00 N ATOM 870 CA ALA A 55 9.189 -0.186 -0.529 1.00 0.00 C ATOM 871 C ALA A 55 8.892 0.607 -1.803 1.00 0.00 C ATOM 872 O ALA A 55 7.766 0.571 -2.284 1.00 0.00 O ATOM 873 CB ALA A 55 9.411 -1.670 -0.848 1.00 0.00 C ATOM 0 H ALA A 55 7.262 -0.618 0.169 1.00 0.00 H new ATOM 0 HA ALA A 55 10.104 0.175 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.262 -1.774 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.610 -2.215 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.519 -2.077 -1.324 1.00 0.00 H new ATOM 879 N LEU A 56 9.905 1.300 -2.348 1.00 0.00 N ATOM 880 CA LEU A 56 9.765 2.131 -3.574 1.00 0.00 C ATOM 881 C LEU A 56 9.314 1.241 -4.762 1.00 0.00 C ATOM 882 O LEU A 56 8.629 1.719 -5.669 1.00 0.00 O ATOM 883 CB LEU A 56 11.118 2.891 -3.844 1.00 0.00 C ATOM 884 CG LEU A 56 11.199 3.948 -5.025 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.499 3.301 -6.396 1.00 0.00 C ATOM 886 CD2 LEU A 56 9.932 4.836 -5.090 1.00 0.00 C ATOM 0 H LEU A 56 10.847 1.306 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 56 8.993 2.889 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.391 3.408 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.885 2.138 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 56 12.048 4.591 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.542 4.075 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.456 2.781 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.711 2.590 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.027 5.546 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.056 4.208 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.820 5.380 -4.152 1.00 0.00 H new ATOM 898 N GLY A 57 9.673 -0.063 -4.706 1.00 0.00 N ATOM 899 CA GLY A 57 9.169 -1.074 -5.648 1.00 0.00 C ATOM 900 C GLY A 57 7.641 -1.237 -5.595 1.00 0.00 C ATOM 901 O GLY A 57 6.994 -1.429 -6.636 1.00 0.00 O ATOM 0 H GLY A 57 10.317 -0.436 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.464 -0.798 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.639 -2.033 -5.429 1.00 0.00 H new ATOM 905 N GLU A 58 7.064 -1.163 -4.368 1.00 0.00 N ATOM 906 CA GLU A 58 5.592 -1.159 -4.155 1.00 0.00 C ATOM 907 C GLU A 58 4.979 0.128 -4.730 1.00 0.00 C ATOM 908 O GLU A 58 3.897 0.093 -5.313 1.00 0.00 O ATOM 909 CB GLU A 58 5.221 -1.290 -2.644 1.00 0.00 C ATOM 910 CG GLU A 58 5.743 -2.572 -1.983 1.00 0.00 C ATOM 911 CD GLU A 58 5.294 -2.732 -0.521 1.00 0.00 C ATOM 912 OE1 GLU A 58 6.000 -2.253 0.402 1.00 0.00 O ATOM 913 OE2 GLU A 58 4.224 -3.338 -0.276 1.00 0.00 O ATOM 0 H GLU A 58 7.602 -1.105 -3.503 1.00 0.00 H new ATOM 0 HA GLU A 58 5.184 -2.026 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.618 -0.429 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.136 -1.257 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.400 -3.433 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.832 -2.575 -2.023 1.00 0.00 H new ATOM 920 N LEU A 59 5.710 1.253 -4.583 1.00 0.00 N ATOM 921 CA LEU A 59 5.282 2.580 -5.086 1.00 0.00 C ATOM 922 C LEU A 59 5.192 2.592 -6.621 1.00 0.00 C ATOM 923 O LEU A 59 4.363 3.311 -7.183 1.00 0.00 O ATOM 924 CB LEU A 59 6.231 3.716 -4.586 1.00 0.00 C ATOM 925 CG LEU A 59 5.996 4.244 -3.136 1.00 0.00 C ATOM 926 CD1 LEU A 59 4.593 4.843 -2.981 1.00 0.00 C ATOM 927 CD2 LEU A 59 6.250 3.178 -2.063 1.00 0.00 C ATOM 0 H LEU A 59 6.615 1.269 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 59 4.287 2.770 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.257 3.355 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.143 4.558 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 59 6.731 5.033 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.461 5.201 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.474 5.674 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.846 4.080 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.070 3.605 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.578 2.335 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.283 2.836 -2.128 1.00 0.00 H new ATOM 939 N GLN A 60 6.046 1.785 -7.285 1.00 0.00 N ATOM 940 CA GLN A 60 6.015 1.623 -8.752 1.00 0.00 C ATOM 941 C GLN A 60 4.676 1.007 -9.214 1.00 0.00 C ATOM 942 O GLN A 60 4.211 1.266 -10.326 1.00 0.00 O ATOM 943 CB GLN A 60 7.199 0.743 -9.237 1.00 0.00 C ATOM 944 CG GLN A 60 8.600 1.214 -8.796 1.00 0.00 C ATOM 945 CD GLN A 60 8.900 2.675 -9.137 1.00 0.00 C ATOM 946 OE1 GLN A 60 9.400 2.981 -10.218 1.00 0.00 O ATOM 947 NE2 GLN A 60 8.614 3.586 -8.211 1.00 0.00 N ATOM 0 H GLN A 60 6.769 1.233 -6.824 1.00 0.00 H new ATOM 0 HA GLN A 60 6.112 2.614 -9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.046 -0.274 -8.875 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.175 0.700 -10.326 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.697 1.076 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.351 0.580 -9.268 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.199 3.299 -7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.809 4.571 -8.388 1.00 0.00 H new ATOM 956 N LYS A 61 4.062 0.203 -8.329 1.00 0.00 N ATOM 957 CA LYS A 61 2.770 -0.465 -8.593 1.00 0.00 C ATOM 958 C LYS A 61 1.598 0.508 -8.353 1.00 0.00 C ATOM 959 O LYS A 61 0.484 0.277 -8.835 1.00 0.00 O ATOM 960 CB LYS A 61 2.613 -1.724 -7.681 1.00 0.00 C ATOM 961 CG LYS A 61 3.876 -2.607 -7.576 1.00 0.00 C ATOM 962 CD LYS A 61 4.371 -3.147 -8.938 1.00 0.00 C ATOM 963 CE LYS A 61 5.644 -3.992 -8.794 1.00 0.00 C ATOM 964 NZ LYS A 61 5.447 -5.163 -7.898 1.00 0.00 N ATOM 0 H LYS A 61 4.446 -0.004 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 61 2.755 -0.780 -9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.330 -1.398 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.792 -2.332 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.675 -2.029 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.667 -3.449 -6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.586 -3.749 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.565 -2.311 -9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.960 -4.339 -9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.448 -3.369 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.272 -5.793 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.339 -4.835 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.592 -5.681 -8.186 1.00 0.00 H new ATOM 978 N LEU A 62 1.864 1.599 -7.605 1.00 0.00 N ATOM 979 CA LEU A 62 0.830 2.545 -7.166 1.00 0.00 C ATOM 980 C LEU A 62 0.689 3.685 -8.184 1.00 0.00 C ATOM 981 O LEU A 62 1.570 4.544 -8.296 1.00 0.00 O ATOM 982 CB LEU A 62 1.157 3.106 -5.750 1.00 0.00 C ATOM 983 CG LEU A 62 1.436 2.038 -4.640 1.00 0.00 C ATOM 984 CD1 LEU A 62 1.562 2.685 -3.247 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.381 0.910 -4.637 1.00 0.00 C ATOM 0 H LEU A 62 2.803 1.844 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.120 2.015 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.029 3.755 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.324 3.730 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 62 2.395 1.581 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.755 1.912 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.385 3.399 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.634 3.202 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.617 0.193 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.606 1.336 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.387 0.404 -5.602 1.00 0.00 H new ATOM 997 N LYS A 63 -0.420 3.667 -8.930 1.00 0.00 N ATOM 998 CA LYS A 63 -0.713 4.657 -9.972 1.00 0.00 C ATOM 999 C LYS A 63 -1.356 5.929 -9.386 1.00 0.00 C ATOM 1000 O LYS A 63 -1.217 7.006 -9.960 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.647 4.032 -11.042 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.986 4.958 -12.231 1.00 0.00 C ATOM 1003 CD LYS A 63 -3.010 4.335 -13.202 1.00 0.00 C ATOM 1004 CE LYS A 63 -3.356 5.280 -14.363 1.00 0.00 C ATOM 1005 NZ LYS A 63 -4.383 4.707 -15.264 1.00 0.00 N ATOM 0 H LYS A 63 -1.146 2.958 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 63 0.231 4.948 -10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.179 3.127 -11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.576 3.729 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.380 5.900 -11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.071 5.192 -12.776 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.610 3.403 -13.601 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.920 4.084 -12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.715 6.228 -13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.453 5.496 -14.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.585 5.379 -16.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.032 3.815 -15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.254 4.525 -14.726 1.00 0.00 H new ATOM 1019 N ASN A 64 -2.064 5.803 -8.245 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.803 6.938 -7.642 1.00 0.00 C ATOM 1021 C ASN A 64 -3.103 6.708 -6.147 1.00 0.00 C ATOM 1022 O ASN A 64 -2.655 5.724 -5.568 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.102 7.203 -8.469 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.993 5.974 -8.668 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -5.116 5.118 -7.793 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -5.625 5.881 -9.828 1.00 0.00 N ATOM 0 H ASN A 64 -2.141 4.931 -7.722 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.174 7.827 -7.682 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.682 7.979 -7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.821 7.594 -9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.233 5.084 -10.015 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.503 6.607 -10.535 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.865 7.646 -5.538 1.00 0.00 N ATOM 1034 CA VAL A 65 -4.249 7.616 -4.103 1.00 0.00 C ATOM 1035 C VAL A 65 -5.301 6.505 -3.843 1.00 0.00 C ATOM 1036 O VAL A 65 -5.556 6.131 -2.698 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.771 9.034 -3.610 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -5.132 9.050 -2.099 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.730 10.140 -3.908 1.00 0.00 C ATOM 0 H VAL A 65 -4.236 8.456 -6.034 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.358 7.382 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.685 9.233 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.482 10.044 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.918 8.320 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.249 8.798 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.111 11.101 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.798 9.911 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.547 10.188 -4.982 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.886 5.961 -4.929 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.721 4.760 -4.853 1.00 0.00 C ATOM 1051 C GLY A 66 -5.878 3.517 -4.658 1.00 0.00 C ATOM 1052 O GLY A 66 -6.265 2.602 -3.935 1.00 0.00 O ATOM 0 H GLY A 66 -5.791 6.342 -5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.427 4.857 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.309 4.664 -5.766 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.701 3.496 -5.299 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.688 2.448 -5.080 1.00 0.00 C ATOM 1058 C ASP A 67 -3.068 2.592 -3.685 1.00 0.00 C ATOM 1059 O ASP A 67 -2.737 1.591 -3.060 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.591 2.513 -6.160 1.00 0.00 C ATOM 1061 CG ASP A 67 -3.077 2.066 -7.543 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.114 0.847 -7.797 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.407 2.915 -8.386 1.00 0.00 O ATOM 0 H ASP A 67 -4.423 4.201 -5.982 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.179 1.478 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.216 3.534 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.753 1.885 -5.856 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.893 3.855 -3.222 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.514 4.151 -1.823 1.00 0.00 C ATOM 1070 C LEU A 68 -3.643 3.732 -0.868 1.00 0.00 C ATOM 1071 O LEU A 68 -3.373 3.320 0.246 1.00 0.00 O ATOM 1072 CB LEU A 68 -2.160 5.666 -1.605 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.681 6.108 -1.862 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.299 5.351 -0.937 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.287 5.973 -3.349 1.00 0.00 C ATOM 0 H LEU A 68 -3.010 4.686 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.615 3.574 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.805 6.259 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.415 5.926 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.612 7.167 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.318 5.680 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.051 5.559 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.220 4.280 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.747 6.291 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.390 4.933 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.940 6.600 -3.957 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.906 3.838 -1.312 1.00 0.00 N ATOM 1088 CA ALA A 69 -6.065 3.418 -0.500 1.00 0.00 C ATOM 1089 C ALA A 69 -5.970 1.912 -0.214 1.00 0.00 C ATOM 1090 O ALA A 69 -6.095 1.482 0.941 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.394 3.778 -1.180 1.00 0.00 C ATOM 0 H ALA A 69 -5.153 4.211 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.043 3.959 0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.224 3.453 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.449 4.857 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.454 3.280 -2.148 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.678 1.133 -1.276 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.404 -0.308 -1.156 1.00 0.00 C ATOM 1099 C ASP A 70 -4.202 -0.545 -0.234 1.00 0.00 C ATOM 1100 O ASP A 70 -4.340 -1.160 0.811 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.116 -0.963 -2.533 1.00 0.00 C ATOM 1102 CG ASP A 70 -6.282 -0.848 -3.521 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -7.380 -1.373 -3.227 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -6.108 -0.257 -4.604 1.00 0.00 O ATOM 0 H ASP A 70 -5.627 1.485 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.299 -0.768 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.233 -0.497 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.880 -2.017 -2.383 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.059 0.048 -0.611 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.720 -0.297 -0.081 1.00 0.00 C ATOM 1111 C LEU A 71 -1.581 0.075 1.415 1.00 0.00 C ATOM 1112 O LEU A 71 -1.118 -0.745 2.213 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.626 0.381 -0.977 1.00 0.00 C ATOM 1114 CG LEU A 71 0.776 -0.320 -1.096 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.616 -0.167 0.163 1.00 0.00 C ATOM 1116 CD2 LEU A 71 0.652 -1.802 -1.492 1.00 0.00 C ATOM 0 H LEU A 71 -3.033 0.795 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.581 -1.377 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.034 0.481 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.463 1.390 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 71 1.299 0.198 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.573 -0.670 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.787 0.891 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.090 -0.613 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.646 -2.244 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.071 -2.333 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.151 -1.880 -2.457 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.981 1.310 1.782 1.00 0.00 N ATOM 1129 CA VAL A 72 -2.004 1.769 3.189 1.00 0.00 C ATOM 1130 C VAL A 72 -2.957 0.886 4.034 1.00 0.00 C ATOM 1131 O VAL A 72 -2.612 0.510 5.157 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.403 3.297 3.309 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.469 3.764 4.787 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.428 4.200 2.501 1.00 0.00 C ATOM 0 H VAL A 72 -2.296 2.015 1.116 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.992 1.668 3.581 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.401 3.396 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.746 4.818 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.213 3.174 5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.494 3.629 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.729 5.243 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.415 4.075 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.456 3.916 1.449 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.130 0.511 3.461 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.105 -0.376 4.154 1.00 0.00 C ATOM 1146 C ASP A 73 -4.529 -1.795 4.336 1.00 0.00 C ATOM 1147 O ASP A 73 -4.854 -2.475 5.311 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.446 -0.451 3.377 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.551 -1.224 4.126 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.128 -0.665 5.092 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.845 -2.388 3.763 1.00 0.00 O ATOM 0 H ASP A 73 -4.423 0.805 2.529 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.295 0.056 5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.796 0.561 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.271 -0.927 2.412 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.670 -2.216 3.383 1.00 0.00 N ATOM 1157 CA LYS A 74 -2.985 -3.527 3.445 1.00 0.00 C ATOM 1158 C LYS A 74 -2.061 -3.566 4.666 1.00 0.00 C ATOM 1159 O LYS A 74 -2.050 -4.544 5.410 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.170 -3.847 2.157 1.00 0.00 C ATOM 1161 CG LYS A 74 -2.981 -3.911 0.842 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.261 -4.776 0.935 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.100 -4.738 -0.358 1.00 0.00 C ATOM 1164 NZ LYS A 74 -6.388 -5.454 -0.185 1.00 0.00 N ATOM 0 H LYS A 74 -3.433 -1.665 2.558 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.759 -4.290 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.393 -3.091 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.667 -4.803 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.259 -2.899 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.343 -4.308 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.983 -5.807 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.870 -4.428 1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.292 -3.703 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.536 -5.191 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.931 -5.411 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.203 -6.448 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.935 -5.006 0.578 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.324 -2.460 4.878 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.359 -2.329 5.986 1.00 0.00 C ATOM 1180 C LYS A 75 -1.094 -2.283 7.331 1.00 0.00 C ATOM 1181 O LYS A 75 -0.727 -2.993 8.267 1.00 0.00 O ATOM 1182 CB LYS A 75 0.495 -1.039 5.825 1.00 0.00 C ATOM 1183 CG LYS A 75 1.212 -0.891 4.471 1.00 0.00 C ATOM 1184 CD LYS A 75 2.250 -2.005 4.205 1.00 0.00 C ATOM 1185 CE LYS A 75 2.873 -1.889 2.808 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.991 -2.830 2.605 1.00 0.00 N ATOM 0 H LYS A 75 -1.381 -1.631 4.286 1.00 0.00 H new ATOM 0 HA LYS A 75 0.300 -3.197 5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.152 -0.174 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.243 -1.016 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.470 -0.897 3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.711 0.077 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.037 -1.955 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.771 -2.979 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.106 -2.074 2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.229 -0.870 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.993 -3.158 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.890 -2.351 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.878 -3.645 3.241 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.152 -1.455 7.392 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.971 -1.267 8.608 1.00 0.00 C ATOM 1202 C LEU A 76 -3.778 -2.542 8.941 1.00 0.00 C ATOM 1203 O LEU A 76 -4.177 -2.737 10.089 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.912 -0.041 8.436 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.211 1.347 8.230 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.253 2.483 8.060 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.216 1.662 9.377 1.00 0.00 C ATOM 0 H LEU A 76 -2.466 -0.895 6.599 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.301 -1.076 9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.563 -0.226 7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.552 0.026 9.316 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.633 1.286 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.736 3.432 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.877 2.277 7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.879 2.539 8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.750 2.631 9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.751 1.685 10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.446 0.891 9.413 1.00 0.00 H new ATOM 1219 N ALA A 77 -4.028 -3.383 7.916 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.601 -4.735 8.094 1.00 0.00 C ATOM 1221 C ALA A 77 -3.590 -5.677 8.778 1.00 0.00 C ATOM 1222 O ALA A 77 -3.958 -6.467 9.653 1.00 0.00 O ATOM 1223 CB ALA A 77 -5.047 -5.319 6.738 1.00 0.00 C ATOM 0 H ALA A 77 -3.839 -3.145 6.942 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.475 -4.647 8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.466 -6.314 6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.803 -4.671 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.188 -5.385 6.070 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.310 -5.578 8.359 1.00 0.00 N ATOM 1230 CA ARG A 78 -1.207 -6.403 8.910 1.00 0.00 C ATOM 1231 C ARG A 78 -0.815 -5.933 10.320 1.00 0.00 C ATOM 1232 O ARG A 78 -0.395 -6.739 11.154 1.00 0.00 O ATOM 1233 CB ARG A 78 0.040 -6.365 7.978 1.00 0.00 C ATOM 1234 CG ARG A 78 -0.233 -6.828 6.533 1.00 0.00 C ATOM 1235 CD ARG A 78 -0.818 -8.242 6.463 1.00 0.00 C ATOM 1236 NE ARG A 78 -1.262 -8.590 5.100 1.00 0.00 N ATOM 1237 CZ ARG A 78 -1.714 -9.788 4.711 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -1.722 -10.817 5.549 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -2.153 -9.956 3.472 1.00 0.00 N ATOM 0 H ARG A 78 -2.010 -4.928 7.633 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.569 -7.429 8.971 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.430 -5.347 7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.819 -6.994 8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.922 -6.131 6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.696 -6.796 5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.069 -8.961 6.795 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.661 -8.320 7.150 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.221 -7.855 4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.381 -10.700 6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.069 -11.725 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.146 -9.173 2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.498 -10.868 3.172 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.994 -4.622 10.575 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.645 -4.000 11.862 1.00 0.00 C ATOM 1255 C LYS A 79 -1.806 -4.199 12.841 1.00 0.00 C ATOM 1256 O LYS A 79 -1.721 -5.030 13.756 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.336 -2.474 11.694 1.00 0.00 C ATOM 1258 CG LYS A 79 0.956 -2.161 10.914 1.00 0.00 C ATOM 1259 CD LYS A 79 2.228 -2.658 11.635 1.00 0.00 C ATOM 1260 CE LYS A 79 3.517 -2.307 10.876 1.00 0.00 C ATOM 1261 NZ LYS A 79 4.720 -2.783 11.594 1.00 0.00 N ATOM 0 H LYS A 79 -1.383 -3.969 9.895 1.00 0.00 H new ATOM 0 HA LYS A 79 0.256 -4.476 12.249 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.176 -2.001 11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.266 -2.020 12.683 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.900 -2.622 9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.029 -1.085 10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.269 -2.221 12.633 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.169 -3.739 11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.487 -2.752 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.577 -1.227 10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.571 -2.529 11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.762 -2.339 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.674 -3.816 11.701 1.00 0.00 H new