USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 678 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 58 ASN :FLIP amide:sc= 0.86 F(o=-4.5,f=-2.7) USER MOD Set 1.2: A 77 SER OG : rot -58:sc= -3.51! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS :FLIP no HE2:sc= 0.049 F(o=-1.4,f=0.049) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.439 USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.1 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 74:sc= 0.541 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.28) USER MOD Single : A 65 MET CE :methyl -123:sc= -1.98! (180deg=-5.3!) USER MOD Single : A 67 HIS : no HE2:sc= 0.603 K(o=0.6,f=-2.5!) USER MOD Single : A 71 GLN : amide:sc= -1.35 K(o=-1.3,f=-5.3!) USER MOD Single : A 72 SER OG : rot 180:sc= -0.051 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.2!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.81) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.818 24.389 -0.497 1.00 0.00 N ATOM 2 CA GLY A 1 8.033 23.958 -1.641 1.00 0.00 C ATOM 3 C GLY A 1 6.599 23.622 -1.228 1.00 0.00 C ATOM 4 O GLY A 1 5.778 24.518 -1.039 1.00 0.00 O ATOM 0 H1 GLY A 1 9.786 24.611 -0.804 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.385 25.237 -0.078 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.845 23.628 0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.023 24.744 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.498 23.084 -2.097 1.00 0.00 H new ATOM 8 N SER A 2 6.341 22.329 -1.100 1.00 0.00 N ATOM 9 CA SER A 2 5.020 21.864 -0.713 1.00 0.00 C ATOM 10 C SER A 2 4.680 22.365 0.692 1.00 0.00 C ATOM 11 O SER A 2 5.573 22.701 1.468 1.00 0.00 O ATOM 12 CB SER A 2 4.936 20.337 -0.767 1.00 0.00 C ATOM 13 OG SER A 2 3.597 19.882 -0.941 1.00 0.00 O ATOM 0 H SER A 2 7.025 21.588 -1.257 1.00 0.00 H new ATOM 0 HA SER A 2 4.295 22.266 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.553 19.969 -1.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.344 19.919 0.153 1.00 0.00 H new ATOM 0 HG SER A 2 3.586 18.903 -0.972 1.00 0.00 H new ATOM 19 N SER A 3 3.387 22.399 0.977 1.00 0.00 N ATOM 20 CA SER A 3 2.918 22.853 2.275 1.00 0.00 C ATOM 21 C SER A 3 1.542 22.255 2.573 1.00 0.00 C ATOM 22 O SER A 3 1.353 21.605 3.600 1.00 0.00 O ATOM 23 CB SER A 3 2.856 24.381 2.335 1.00 0.00 C ATOM 24 OG SER A 3 3.592 24.902 3.438 1.00 0.00 O ATOM 0 H SER A 3 2.649 22.119 0.331 1.00 0.00 H new ATOM 0 HA SER A 3 3.626 22.515 3.031 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.250 24.797 1.408 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.816 24.699 2.410 1.00 0.00 H new ATOM 0 HG SER A 3 3.529 25.880 3.440 1.00 0.00 H new ATOM 30 N GLY A 4 0.616 22.495 1.656 1.00 0.00 N ATOM 31 CA GLY A 4 -0.737 21.987 1.808 1.00 0.00 C ATOM 32 C GLY A 4 -0.951 20.733 0.958 1.00 0.00 C ATOM 33 O GLY A 4 -1.572 20.795 -0.101 1.00 0.00 O ATOM 0 H GLY A 4 0.776 23.034 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.927 21.757 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.453 22.755 1.516 1.00 0.00 H new ATOM 37 N SER A 5 -0.424 19.623 1.456 1.00 0.00 N ATOM 38 CA SER A 5 -0.550 18.356 0.755 1.00 0.00 C ATOM 39 C SER A 5 -1.391 17.382 1.583 1.00 0.00 C ATOM 40 O SER A 5 -1.674 17.640 2.752 1.00 0.00 O ATOM 41 CB SER A 5 0.824 17.752 0.460 1.00 0.00 C ATOM 42 OG SER A 5 1.630 17.660 1.631 1.00 0.00 O ATOM 0 H SER A 5 0.090 19.575 2.335 1.00 0.00 H new ATOM 0 HA SER A 5 -1.049 18.539 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.698 16.759 0.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.335 18.362 -0.285 1.00 0.00 H new ATOM 0 HG SER A 5 2.498 17.268 1.401 1.00 0.00 H new ATOM 48 N SER A 6 -1.766 16.284 0.944 1.00 0.00 N ATOM 49 CA SER A 6 -2.569 15.270 1.606 1.00 0.00 C ATOM 50 C SER A 6 -2.116 13.876 1.169 1.00 0.00 C ATOM 51 O SER A 6 -1.717 13.680 0.022 1.00 0.00 O ATOM 52 CB SER A 6 -4.057 15.463 1.306 1.00 0.00 C ATOM 53 OG SER A 6 -4.302 15.649 -0.085 1.00 0.00 O ATOM 0 H SER A 6 -1.529 16.074 -0.026 1.00 0.00 H new ATOM 0 HA SER A 6 -2.427 15.370 2.682 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.613 14.595 1.659 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.429 16.326 1.858 1.00 0.00 H new ATOM 0 HG SER A 6 -5.263 15.767 -0.235 1.00 0.00 H new ATOM 59 N GLY A 7 -2.193 12.942 2.106 1.00 0.00 N ATOM 60 CA GLY A 7 -1.796 11.572 1.832 1.00 0.00 C ATOM 61 C GLY A 7 -0.994 10.990 2.998 1.00 0.00 C ATOM 62 O GLY A 7 0.004 11.570 3.421 1.00 0.00 O ATOM 0 H GLY A 7 -2.525 13.108 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.681 10.962 1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.198 11.538 0.922 1.00 0.00 H new ATOM 66 N LEU A 8 -1.462 9.850 3.485 1.00 0.00 N ATOM 67 CA LEU A 8 -0.802 9.182 4.594 1.00 0.00 C ATOM 68 C LEU A 8 -0.026 7.973 4.067 1.00 0.00 C ATOM 69 O LEU A 8 -0.338 7.449 2.999 1.00 0.00 O ATOM 70 CB LEU A 8 -1.812 8.835 5.689 1.00 0.00 C ATOM 71 CG LEU A 8 -1.718 7.420 6.264 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.309 7.361 7.674 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.371 6.403 5.325 1.00 0.00 C ATOM 0 H LEU A 8 -2.291 9.372 3.132 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.077 9.848 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.691 9.547 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.816 8.977 5.288 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.664 7.153 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.230 6.345 8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.761 8.041 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.358 7.656 7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.291 5.405 5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.422 6.656 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.865 6.422 4.360 1.00 0.00 H new ATOM 85 N THR A 9 0.969 7.566 4.841 1.00 0.00 N ATOM 86 CA THR A 9 1.792 6.429 4.465 1.00 0.00 C ATOM 87 C THR A 9 1.626 5.293 5.477 1.00 0.00 C ATOM 88 O THR A 9 1.220 5.526 6.615 1.00 0.00 O ATOM 89 CB THR A 9 3.236 6.914 4.328 1.00 0.00 C ATOM 90 OG1 THR A 9 3.173 7.907 3.307 1.00 0.00 O ATOM 91 CG2 THR A 9 4.162 5.843 3.748 1.00 0.00 C ATOM 0 H THR A 9 1.224 8.003 5.727 1.00 0.00 H new ATOM 0 HA THR A 9 1.481 6.016 3.505 1.00 0.00 H new ATOM 0 HB THR A 9 3.608 7.225 5.304 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.068 8.277 3.155 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.174 6.240 3.672 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.162 4.970 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.810 5.555 2.757 1.00 0.00 H new ATOM 99 N VAL A 10 1.949 4.090 5.027 1.00 0.00 N ATOM 100 CA VAL A 10 1.841 2.918 5.879 1.00 0.00 C ATOM 101 C VAL A 10 3.136 2.108 5.792 1.00 0.00 C ATOM 102 O VAL A 10 3.791 2.089 4.751 1.00 0.00 O ATOM 103 CB VAL A 10 0.601 2.106 5.498 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.578 1.813 3.997 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.522 0.813 6.311 1.00 0.00 C ATOM 0 H VAL A 10 2.286 3.901 4.083 1.00 0.00 H new ATOM 0 HA VAL A 10 1.712 3.214 6.920 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.278 2.705 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.313 1.235 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.565 2.752 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.466 1.243 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.368 0.255 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.408 0.208 6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.469 1.053 7.373 1.00 0.00 H new ATOM 115 N ASP A 11 3.466 1.459 6.898 1.00 0.00 N ATOM 116 CA ASP A 11 4.671 0.649 6.960 1.00 0.00 C ATOM 117 C ASP A 11 4.295 -0.791 7.313 1.00 0.00 C ATOM 118 O ASP A 11 4.187 -1.138 8.488 1.00 0.00 O ATOM 119 CB ASP A 11 5.628 1.166 8.036 1.00 0.00 C ATOM 120 CG ASP A 11 5.551 2.671 8.302 1.00 0.00 C ATOM 121 OD1 ASP A 11 5.264 3.404 7.331 1.00 0.00 O ATOM 122 OD2 ASP A 11 5.779 3.053 9.470 1.00 0.00 O ATOM 0 H ASP A 11 2.920 1.477 7.759 1.00 0.00 H new ATOM 0 HA ASP A 11 5.161 0.699 5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.424 0.637 8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.648 0.916 7.744 1.00 0.00 H new ATOM 127 N VAL A 12 4.107 -1.592 6.274 1.00 0.00 N ATOM 128 CA VAL A 12 3.746 -2.987 6.460 1.00 0.00 C ATOM 129 C VAL A 12 4.964 -3.762 6.966 1.00 0.00 C ATOM 130 O VAL A 12 6.073 -3.575 6.468 1.00 0.00 O ATOM 131 CB VAL A 12 3.171 -3.556 5.161 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.707 -5.001 5.354 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.033 -2.680 4.634 1.00 0.00 C ATOM 0 H VAL A 12 4.198 -1.301 5.301 1.00 0.00 H new ATOM 0 HA VAL A 12 2.965 -3.082 7.214 1.00 0.00 H new ATOM 0 HB VAL A 12 3.966 -3.556 4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.303 -5.382 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.552 -5.617 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.935 -5.036 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.643 -3.107 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.237 -2.632 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.408 -1.675 4.439 1.00 0.00 H new ATOM 143 N ALA A 13 4.717 -4.615 7.948 1.00 0.00 N ATOM 144 CA ALA A 13 5.780 -5.420 8.526 1.00 0.00 C ATOM 145 C ALA A 13 5.854 -6.761 7.795 1.00 0.00 C ATOM 146 O ALA A 13 4.965 -7.599 7.935 1.00 0.00 O ATOM 147 CB ALA A 13 5.535 -5.587 10.027 1.00 0.00 C ATOM 0 H ALA A 13 3.796 -4.767 8.359 1.00 0.00 H new ATOM 0 HA ALA A 13 6.744 -4.926 8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.332 -6.191 10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.521 -4.607 10.505 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.577 -6.082 10.186 1.00 0.00 H new ATOM 153 N GLY A 14 6.924 -6.923 7.029 1.00 0.00 N ATOM 154 CA GLY A 14 7.126 -8.148 6.275 1.00 0.00 C ATOM 155 C GLY A 14 7.449 -9.319 7.207 1.00 0.00 C ATOM 156 O GLY A 14 7.265 -9.221 8.419 1.00 0.00 O ATOM 0 H GLY A 14 7.660 -6.226 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.230 -8.375 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.939 -8.011 5.562 1.00 0.00 H new ATOM 160 N PRO A 15 7.938 -10.427 6.589 1.00 0.00 N ATOM 161 CA PRO A 15 8.125 -10.459 5.148 1.00 0.00 C ATOM 162 C PRO A 15 6.786 -10.604 4.424 1.00 0.00 C ATOM 163 O PRO A 15 5.729 -10.387 5.016 1.00 0.00 O ATOM 164 CB PRO A 15 9.064 -11.629 4.900 1.00 0.00 C ATOM 165 CG PRO A 15 8.998 -12.489 6.152 1.00 0.00 C ATOM 166 CD PRO A 15 8.323 -11.674 7.243 1.00 0.00 C ATOM 0 HA PRO A 15 8.550 -9.534 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.758 -12.196 4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.081 -11.282 4.718 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.438 -13.404 5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.999 -12.788 6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.454 -12.194 7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.000 -11.491 8.077 1.00 0.00 H new ATOM 174 N ALA A 16 6.873 -10.971 3.154 1.00 0.00 N ATOM 175 CA ALA A 16 5.680 -11.148 2.343 1.00 0.00 C ATOM 176 C ALA A 16 5.167 -12.580 2.503 1.00 0.00 C ATOM 177 O ALA A 16 5.875 -13.443 3.019 1.00 0.00 O ATOM 178 CB ALA A 16 5.997 -10.801 0.886 1.00 0.00 C ATOM 0 H ALA A 16 7.751 -11.151 2.667 1.00 0.00 H new ATOM 0 HA ALA A 16 4.888 -10.476 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.102 -10.934 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.329 -9.765 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.786 -11.457 0.519 1.00 0.00 H new ATOM 184 N PRO A 17 3.907 -12.794 2.038 1.00 0.00 N ATOM 185 CA PRO A 17 3.136 -11.717 1.441 1.00 0.00 C ATOM 186 C PRO A 17 2.615 -10.756 2.511 1.00 0.00 C ATOM 187 O PRO A 17 2.828 -10.975 3.703 1.00 0.00 O ATOM 188 CB PRO A 17 2.023 -12.410 0.672 1.00 0.00 C ATOM 189 CG PRO A 17 1.934 -13.816 1.243 1.00 0.00 C ATOM 190 CD PRO A 17 3.185 -14.063 2.070 1.00 0.00 C ATOM 0 HA PRO A 17 3.732 -11.091 0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.078 -11.880 0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.243 -12.435 -0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.042 -13.922 1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.856 -14.550 0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.934 -14.350 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.785 -14.870 1.650 1.00 0.00 H new ATOM 198 N TRP A 18 1.943 -9.713 2.047 1.00 0.00 N ATOM 199 CA TRP A 18 1.390 -8.717 2.950 1.00 0.00 C ATOM 200 C TRP A 18 0.002 -9.192 3.384 1.00 0.00 C ATOM 201 O TRP A 18 -0.250 -9.380 4.573 1.00 0.00 O ATOM 202 CB TRP A 18 1.372 -7.334 2.296 1.00 0.00 C ATOM 203 CG TRP A 18 2.599 -7.038 1.432 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.662 -6.929 0.098 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.947 -6.816 1.899 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.946 -6.654 -0.328 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.752 -6.583 0.802 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.468 -6.812 3.205 1.00 0.00 C ATOM 209 CZ2 TRP A 18 6.125 -6.329 0.900 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.842 -6.556 3.285 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.666 -6.320 2.191 1.00 0.00 C ATOM 0 H TRP A 18 1.769 -9.536 1.058 1.00 0.00 H new ATOM 0 HA TRP A 18 2.015 -8.611 3.837 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.477 -7.246 1.680 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.298 -6.576 3.076 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.814 -7.042 -0.561 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.248 -6.526 -1.294 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.857 -6.992 4.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.734 -6.150 0.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.293 -6.541 4.266 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.719 -6.130 2.336 1.00 0.00 H new ATOM 222 N GLY A 19 -0.862 -9.372 2.396 1.00 0.00 N ATOM 223 CA GLY A 19 -2.219 -9.821 2.661 1.00 0.00 C ATOM 224 C GLY A 19 -3.237 -8.746 2.276 1.00 0.00 C ATOM 225 O GLY A 19 -4.220 -8.535 2.985 1.00 0.00 O ATOM 0 H GLY A 19 -0.649 -9.215 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.420 -10.734 2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.325 -10.066 3.718 1.00 0.00 H new ATOM 229 N PHE A 20 -2.966 -8.094 1.155 1.00 0.00 N ATOM 230 CA PHE A 20 -3.847 -7.046 0.667 1.00 0.00 C ATOM 231 C PHE A 20 -3.911 -7.050 -0.861 1.00 0.00 C ATOM 232 O PHE A 20 -2.963 -7.469 -1.525 1.00 0.00 O ATOM 233 CB PHE A 20 -3.260 -5.714 1.138 1.00 0.00 C ATOM 234 CG PHE A 20 -2.097 -5.209 0.281 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.331 -4.740 -0.974 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.830 -5.229 0.774 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.252 -4.271 -1.770 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.249 -4.761 -0.022 1.00 0.00 C ATOM 239 CZ PHE A 20 0.015 -4.292 -1.277 1.00 0.00 C ATOM 0 H PHE A 20 -2.149 -8.271 0.571 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.857 -7.203 1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.049 -4.962 1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.919 -5.823 2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.337 -4.724 -1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.644 -5.601 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.438 -3.898 -2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.255 -4.778 0.369 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.836 -3.936 -1.882 1.00 0.00 H new ATOM 249 N ARG A 21 -5.037 -6.580 -1.376 1.00 0.00 N ATOM 250 CA ARG A 21 -5.237 -6.524 -2.814 1.00 0.00 C ATOM 251 C ARG A 21 -5.354 -5.071 -3.278 1.00 0.00 C ATOM 252 O ARG A 21 -5.260 -4.148 -2.470 1.00 0.00 O ATOM 253 CB ARG A 21 -6.499 -7.286 -3.225 1.00 0.00 C ATOM 254 CG ARG A 21 -6.227 -8.790 -3.313 1.00 0.00 C ATOM 255 CD ARG A 21 -7.151 -9.455 -4.335 1.00 0.00 C ATOM 256 NE ARG A 21 -6.453 -10.583 -4.989 1.00 0.00 N ATOM 257 CZ ARG A 21 -7.062 -11.507 -5.745 1.00 0.00 C ATOM 258 NH1 ARG A 21 -8.385 -11.443 -5.945 1.00 0.00 N ATOM 259 NH2 ARG A 21 -6.348 -12.496 -6.299 1.00 0.00 N ATOM 0 H ARG A 21 -5.821 -6.234 -0.823 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.373 -6.992 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.293 -7.098 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.852 -6.920 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.187 -8.959 -3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.372 -9.247 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.055 -9.813 -3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.463 -8.727 -5.083 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.445 -10.663 -4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.929 -10.691 -5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.848 -12.146 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.341 -12.546 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.812 -13.199 -6.874 1.00 0.00 H new ATOM 273 N ILE A 22 -5.556 -4.913 -4.578 1.00 0.00 N ATOM 274 CA ILE A 22 -5.686 -3.587 -5.159 1.00 0.00 C ATOM 275 C ILE A 22 -6.635 -3.652 -6.357 1.00 0.00 C ATOM 276 O ILE A 22 -7.047 -4.735 -6.770 1.00 0.00 O ATOM 277 CB ILE A 22 -4.309 -3.012 -5.496 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.511 -3.978 -6.374 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.548 -2.631 -4.224 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.483 -3.227 -7.222 1.00 0.00 C ATOM 0 H ILE A 22 -5.633 -5.681 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.126 -2.897 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.452 -2.098 -6.072 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.004 -4.711 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.190 -4.530 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.572 -2.225 -4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.114 -1.881 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.414 -3.516 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.930 -3.937 -7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.995 -2.512 -7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.791 -2.696 -6.569 1.00 0.00 H new ATOM 292 N SER A 23 -6.954 -2.478 -6.882 1.00 0.00 N ATOM 293 CA SER A 23 -7.847 -2.387 -8.025 1.00 0.00 C ATOM 294 C SER A 23 -7.376 -1.281 -8.971 1.00 0.00 C ATOM 295 O SER A 23 -6.394 -0.595 -8.690 1.00 0.00 O ATOM 296 CB SER A 23 -9.288 -2.126 -7.579 1.00 0.00 C ATOM 297 OG SER A 23 -10.224 -2.907 -8.315 1.00 0.00 O ATOM 0 H SER A 23 -6.610 -1.582 -6.537 1.00 0.00 H new ATOM 0 HA SER A 23 -7.825 -3.341 -8.552 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.385 -2.350 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.520 -1.068 -7.704 1.00 0.00 H new ATOM 0 HG SER A 23 -11.131 -2.713 -8.000 1.00 0.00 H new ATOM 303 N GLY A 24 -8.098 -1.141 -10.073 1.00 0.00 N ATOM 304 CA GLY A 24 -7.765 -0.130 -11.062 1.00 0.00 C ATOM 305 C GLY A 24 -6.333 -0.309 -11.569 1.00 0.00 C ATOM 306 O GLY A 24 -5.912 -1.424 -11.871 1.00 0.00 O ATOM 0 H GLY A 24 -8.912 -1.711 -10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.461 -0.192 -11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.878 0.862 -10.625 1.00 0.00 H new ATOM 310 N GLY A 25 -5.623 0.808 -11.645 1.00 0.00 N ATOM 311 CA GLY A 25 -4.246 0.789 -12.109 1.00 0.00 C ATOM 312 C GLY A 25 -4.081 1.640 -13.370 1.00 0.00 C ATOM 313 O GLY A 25 -5.059 1.940 -14.053 1.00 0.00 O ATOM 0 H GLY A 25 -5.976 1.731 -11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.589 1.164 -11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.942 -0.237 -12.316 1.00 0.00 H new ATOM 317 N ARG A 26 -2.836 2.004 -13.641 1.00 0.00 N ATOM 318 CA ARG A 26 -2.531 2.814 -14.807 1.00 0.00 C ATOM 319 C ARG A 26 -3.155 2.198 -16.060 1.00 0.00 C ATOM 320 O ARG A 26 -3.585 2.916 -16.962 1.00 0.00 O ATOM 321 CB ARG A 26 -1.019 2.941 -15.009 1.00 0.00 C ATOM 322 CG ARG A 26 -0.698 3.552 -16.375 1.00 0.00 C ATOM 323 CD ARG A 26 0.761 4.008 -16.442 1.00 0.00 C ATOM 324 NE ARG A 26 1.310 3.754 -17.792 1.00 0.00 N ATOM 325 CZ ARG A 26 0.918 4.403 -18.897 1.00 0.00 C ATOM 326 NH1 ARG A 26 -0.027 5.349 -18.818 1.00 0.00 N ATOM 327 NH2 ARG A 26 1.471 4.105 -20.081 1.00 0.00 N ATOM 0 H ARG A 26 -2.027 1.753 -13.073 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.949 3.807 -14.639 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.594 3.561 -14.220 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.554 1.959 -14.928 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.890 2.820 -17.159 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.357 4.400 -16.562 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.830 5.070 -16.207 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.351 3.477 -15.695 1.00 0.00 H new ATOM 0 HE ARG A 26 2.032 3.040 -17.888 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.448 5.575 -17.917 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.326 5.843 -19.659 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.190 3.384 -20.141 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.173 4.599 -20.922 1.00 0.00 H new ATOM 341 N ASP A 27 -3.187 0.873 -16.077 1.00 0.00 N ATOM 342 CA ASP A 27 -3.752 0.152 -17.204 1.00 0.00 C ATOM 343 C ASP A 27 -5.228 0.526 -17.356 1.00 0.00 C ATOM 344 O ASP A 27 -5.693 0.796 -18.462 1.00 0.00 O ATOM 345 CB ASP A 27 -3.668 -1.360 -16.989 1.00 0.00 C ATOM 346 CG ASP A 27 -3.959 -2.207 -18.229 1.00 0.00 C ATOM 347 OD1 ASP A 27 -5.121 -2.161 -18.688 1.00 0.00 O ATOM 348 OD2 ASP A 27 -3.013 -2.882 -18.691 1.00 0.00 O ATOM 0 H ASP A 27 -2.830 0.280 -15.327 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.185 0.422 -18.095 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.670 -1.605 -16.626 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.370 -1.640 -16.204 1.00 0.00 H new ATOM 353 N PHE A 28 -5.923 0.531 -16.228 1.00 0.00 N ATOM 354 CA PHE A 28 -7.336 0.868 -16.221 1.00 0.00 C ATOM 355 C PHE A 28 -7.539 2.380 -16.105 1.00 0.00 C ATOM 356 O PHE A 28 -8.671 2.853 -16.021 1.00 0.00 O ATOM 357 CB PHE A 28 -7.952 0.187 -14.997 1.00 0.00 C ATOM 358 CG PHE A 28 -8.012 -1.338 -15.097 1.00 0.00 C ATOM 359 CD1 PHE A 28 -9.062 -1.939 -15.718 1.00 0.00 C ATOM 360 CD2 PHE A 28 -7.014 -2.094 -14.565 1.00 0.00 C ATOM 361 CE1 PHE A 28 -9.117 -3.355 -15.811 1.00 0.00 C ATOM 362 CE2 PHE A 28 -7.070 -3.510 -14.658 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.120 -4.110 -15.279 1.00 0.00 C ATOM 0 H PHE A 28 -5.534 0.307 -15.312 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.802 0.536 -17.149 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.375 0.460 -14.113 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.961 0.571 -14.850 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.854 -1.339 -16.141 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.179 -1.618 -14.072 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.951 -3.832 -16.304 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.278 -4.110 -14.235 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.162 -5.187 -15.350 1.00 0.00 H new ATOM 373 N HIS A 29 -6.424 3.096 -16.105 1.00 0.00 N ATOM 374 CA HIS A 29 -6.465 4.544 -16.001 1.00 0.00 C ATOM 375 C HIS A 29 -7.206 4.946 -14.723 1.00 0.00 C ATOM 376 O HIS A 29 -7.976 5.906 -14.724 1.00 0.00 O ATOM 377 CB HIS A 29 -7.077 5.162 -17.260 1.00 0.00 C ATOM 378 CG HIS A 29 -6.266 4.932 -18.513 1.00 0.00 C ATOM 379 ND1 HIS A 29 -5.490 3.875 -18.890 1.00 0.00 N flip ATOM 380 CD2 HIS A 29 -6.197 5.854 -19.542 1.00 0.00 C flip ATOM 381 CE1 HIS A 29 -4.977 4.137 -20.086 1.00 0.00 C flip ATOM 382 NE2 HIS A 29 -5.414 5.364 -20.491 1.00 0.00 N flip ATOM 0 H HIS A 29 -5.487 2.700 -16.175 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.450 4.936 -15.930 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.076 4.751 -17.405 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.193 6.235 -17.106 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -5.331 3.027 -18.345 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.697 6.811 -19.567 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.322 3.486 -20.646 1.00 0.00 H new ATOM 390 N THR A 30 -6.947 4.193 -13.665 1.00 0.00 N ATOM 391 CA THR A 30 -7.579 4.458 -12.384 1.00 0.00 C ATOM 392 C THR A 30 -6.555 4.354 -11.252 1.00 0.00 C ATOM 393 O THR A 30 -5.492 3.760 -11.425 1.00 0.00 O ATOM 394 CB THR A 30 -8.756 3.493 -12.229 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.256 2.253 -12.720 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.915 3.827 -13.171 1.00 0.00 C ATOM 0 H THR A 30 -6.307 3.398 -13.668 1.00 0.00 H new ATOM 0 HA THR A 30 -7.966 5.476 -12.337 1.00 0.00 H new ATOM 0 HB THR A 30 -9.109 3.514 -11.198 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.006 1.668 -12.956 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.724 3.112 -13.020 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.276 4.834 -12.961 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.571 3.774 -14.204 1.00 0.00 H new ATOM 404 N PRO A 31 -6.921 4.957 -10.089 1.00 0.00 N ATOM 405 CA PRO A 31 -6.046 4.938 -8.929 1.00 0.00 C ATOM 406 C PRO A 31 -6.054 3.563 -8.259 1.00 0.00 C ATOM 407 O PRO A 31 -7.106 2.938 -8.127 1.00 0.00 O ATOM 408 CB PRO A 31 -6.568 6.042 -8.025 1.00 0.00 C ATOM 409 CG PRO A 31 -7.987 6.327 -8.491 1.00 0.00 C ATOM 410 CD PRO A 31 -8.172 5.670 -9.849 1.00 0.00 C ATOM 0 HA PRO A 31 -5.001 5.113 -9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.555 5.730 -6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.946 6.934 -8.099 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.710 5.935 -7.776 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.158 7.401 -8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.022 4.988 -9.846 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.360 6.412 -10.625 1.00 0.00 H new ATOM 418 N ILE A 32 -4.869 3.130 -7.854 1.00 0.00 N ATOM 419 CA ILE A 32 -4.726 1.840 -7.200 1.00 0.00 C ATOM 420 C ILE A 32 -5.367 1.903 -5.812 1.00 0.00 C ATOM 421 O ILE A 32 -4.822 2.523 -4.900 1.00 0.00 O ATOM 422 CB ILE A 32 -3.258 1.409 -7.181 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.648 1.480 -8.582 1.00 0.00 C ATOM 424 CG2 ILE A 32 -3.103 0.021 -6.557 1.00 0.00 C ATOM 425 CD1 ILE A 32 -1.474 0.507 -8.719 1.00 0.00 C ATOM 0 H ILE A 32 -3.999 3.650 -7.966 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.253 1.068 -7.760 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.704 2.107 -6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.409 1.245 -9.326 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.308 2.496 -8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.050 -0.262 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.475 0.039 -5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.673 -0.705 -7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.058 0.577 -9.724 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.705 0.760 -7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.822 -0.510 -8.541 1.00 0.00 H new ATOM 437 N ILE A 33 -6.515 1.252 -5.696 1.00 0.00 N ATOM 438 CA ILE A 33 -7.236 1.225 -4.435 1.00 0.00 C ATOM 439 C ILE A 33 -7.278 -0.210 -3.907 1.00 0.00 C ATOM 440 O ILE A 33 -7.371 -1.159 -4.684 1.00 0.00 O ATOM 441 CB ILE A 33 -8.617 1.863 -4.593 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.499 3.362 -4.880 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.495 1.581 -3.373 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.454 3.782 -5.999 1.00 0.00 C ATOM 0 H ILE A 33 -6.964 0.739 -6.455 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.717 1.825 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.107 1.407 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.722 3.928 -3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.474 3.602 -5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.471 2.046 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.619 0.505 -3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.021 1.991 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.351 4.851 -6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.213 3.232 -6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.480 3.562 -5.703 1.00 0.00 H new ATOM 456 N VAL A 34 -7.209 -0.324 -2.588 1.00 0.00 N ATOM 457 CA VAL A 34 -7.238 -1.628 -1.947 1.00 0.00 C ATOM 458 C VAL A 34 -8.668 -2.172 -1.974 1.00 0.00 C ATOM 459 O VAL A 34 -9.614 -1.457 -1.646 1.00 0.00 O ATOM 460 CB VAL A 34 -6.662 -1.529 -0.533 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.752 -2.874 0.191 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.221 -1.017 -0.563 1.00 0.00 C ATOM 0 H VAL A 34 -7.133 0.465 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.611 -2.335 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.261 -0.809 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.336 -2.776 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.796 -3.181 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.189 -3.624 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.835 -0.956 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.604 -1.702 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.196 -0.028 -1.021 1.00 0.00 H new ATOM 472 N THR A 35 -8.780 -3.432 -2.367 1.00 0.00 N ATOM 473 CA THR A 35 -10.079 -4.080 -2.440 1.00 0.00 C ATOM 474 C THR A 35 -10.333 -4.908 -1.179 1.00 0.00 C ATOM 475 O THR A 35 -11.394 -4.801 -0.566 1.00 0.00 O ATOM 476 CB THR A 35 -10.123 -4.905 -3.728 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.826 -5.490 -3.811 1.00 0.00 O ATOM 478 CG2 THR A 35 -10.219 -4.032 -4.981 1.00 0.00 C ATOM 0 H THR A 35 -7.993 -4.022 -2.638 1.00 0.00 H new ATOM 0 HA THR A 35 -10.886 -3.348 -2.478 1.00 0.00 H new ATOM 0 HB THR A 35 -10.974 -5.585 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.712 -5.911 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.247 -4.668 -5.866 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.127 -3.431 -4.937 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.351 -3.375 -5.034 1.00 0.00 H new ATOM 486 N LYS A 36 -9.342 -5.715 -0.829 1.00 0.00 N ATOM 487 CA LYS A 36 -9.446 -6.560 0.348 1.00 0.00 C ATOM 488 C LYS A 36 -8.217 -6.347 1.233 1.00 0.00 C ATOM 489 O LYS A 36 -7.156 -5.960 0.746 1.00 0.00 O ATOM 490 CB LYS A 36 -9.666 -8.019 -0.058 1.00 0.00 C ATOM 491 CG LYS A 36 -10.815 -8.642 0.737 1.00 0.00 C ATOM 492 CD LYS A 36 -10.285 -9.454 1.921 1.00 0.00 C ATOM 493 CE LYS A 36 -10.334 -10.954 1.623 1.00 0.00 C ATOM 494 NZ LYS A 36 -9.041 -11.592 1.960 1.00 0.00 N ATOM 0 H LYS A 36 -8.463 -5.801 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.318 -6.283 0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.885 -8.074 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.752 -8.589 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.480 -7.857 1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.406 -9.286 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.260 -9.157 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.877 -9.237 2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.136 -11.419 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.562 -11.114 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.091 -12.610 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.283 -11.160 1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.839 -11.455 2.971 1.00 0.00 H new ATOM 508 N VAL A 37 -8.401 -6.609 2.519 1.00 0.00 N ATOM 509 CA VAL A 37 -7.320 -6.451 3.477 1.00 0.00 C ATOM 510 C VAL A 37 -7.340 -7.623 4.461 1.00 0.00 C ATOM 511 O VAL A 37 -8.215 -7.700 5.321 1.00 0.00 O ATOM 512 CB VAL A 37 -7.427 -5.089 4.167 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.442 -4.986 5.333 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.216 -3.950 3.168 1.00 0.00 C ATOM 0 H VAL A 37 -9.283 -6.930 2.920 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.355 -6.469 2.970 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.435 -4.997 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.539 -4.009 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.660 -5.765 6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.425 -5.110 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.297 -2.993 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.226 -4.038 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.974 -4.006 2.387 1.00 0.00 H new ATOM 524 N THR A 38 -6.365 -8.505 4.300 1.00 0.00 N ATOM 525 CA THR A 38 -6.260 -9.670 5.163 1.00 0.00 C ATOM 526 C THR A 38 -6.404 -9.260 6.630 1.00 0.00 C ATOM 527 O THR A 38 -5.749 -8.324 7.084 1.00 0.00 O ATOM 528 CB THR A 38 -4.934 -10.368 4.854 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.124 -10.914 3.551 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.698 -11.594 5.740 1.00 0.00 C ATOM 0 H THR A 38 -5.641 -8.437 3.585 1.00 0.00 H new ATOM 0 HA THR A 38 -7.068 -10.377 4.975 1.00 0.00 H new ATOM 0 HB THR A 38 -4.114 -9.662 4.983 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.101 -10.193 2.888 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.744 -12.052 5.480 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.681 -11.289 6.786 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.501 -12.315 5.585 1.00 0.00 H new ATOM 538 N GLU A 39 -7.266 -9.983 7.331 1.00 0.00 N ATOM 539 CA GLU A 39 -7.504 -9.707 8.737 1.00 0.00 C ATOM 540 C GLU A 39 -6.354 -10.251 9.587 1.00 0.00 C ATOM 541 O GLU A 39 -5.840 -11.336 9.322 1.00 0.00 O ATOM 542 CB GLU A 39 -8.844 -10.290 9.191 1.00 0.00 C ATOM 543 CG GLU A 39 -8.995 -10.199 10.711 1.00 0.00 C ATOM 544 CD GLU A 39 -9.226 -8.753 11.154 1.00 0.00 C ATOM 545 OE1 GLU A 39 -8.214 -8.030 11.280 1.00 0.00 O ATOM 546 OE2 GLU A 39 -10.408 -8.403 11.356 1.00 0.00 O ATOM 0 H GLU A 39 -7.808 -10.759 6.951 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.550 -8.626 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.660 -9.753 8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.917 -11.331 8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.830 -10.820 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.100 -10.592 11.193 1.00 0.00 H new ATOM 553 N ARG A 40 -5.983 -9.471 10.592 1.00 0.00 N ATOM 554 CA ARG A 40 -4.903 -9.861 11.483 1.00 0.00 C ATOM 555 C ARG A 40 -3.709 -10.374 10.676 1.00 0.00 C ATOM 556 O ARG A 40 -3.039 -11.321 11.086 1.00 0.00 O ATOM 557 CB ARG A 40 -5.358 -10.950 12.456 1.00 0.00 C ATOM 558 CG ARG A 40 -6.388 -10.403 13.448 1.00 0.00 C ATOM 559 CD ARG A 40 -5.731 -9.457 14.455 1.00 0.00 C ATOM 560 NE ARG A 40 -6.707 -9.075 15.501 1.00 0.00 N ATOM 561 CZ ARG A 40 -7.063 -9.868 16.520 1.00 0.00 C ATOM 562 NH1 ARG A 40 -6.528 -11.091 16.637 1.00 0.00 N ATOM 563 NH2 ARG A 40 -7.956 -9.438 17.422 1.00 0.00 N ATOM 0 H ARG A 40 -6.411 -8.571 10.809 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.609 -8.980 12.054 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.789 -11.782 11.900 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.497 -11.341 12.998 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.174 -9.876 12.908 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.864 -11.229 13.977 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.867 -9.941 14.911 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.365 -8.566 13.945 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.135 -8.151 15.442 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.849 -11.419 15.950 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.800 -11.694 17.413 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.364 -8.507 17.332 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.228 -10.041 18.198 1.00 0.00 H new ATOM 577 N GLY A 41 -3.478 -9.727 9.543 1.00 0.00 N ATOM 578 CA GLY A 41 -2.377 -10.106 8.675 1.00 0.00 C ATOM 579 C GLY A 41 -1.195 -9.148 8.839 1.00 0.00 C ATOM 580 O GLY A 41 -0.977 -8.604 9.920 1.00 0.00 O ATOM 0 H GLY A 41 -4.035 -8.942 9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.060 -11.123 8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.710 -10.104 7.637 1.00 0.00 H new ATOM 584 N LYS A 42 -0.463 -8.971 7.749 1.00 0.00 N ATOM 585 CA LYS A 42 0.691 -8.088 7.758 1.00 0.00 C ATOM 586 C LYS A 42 0.230 -6.650 7.510 1.00 0.00 C ATOM 587 O LYS A 42 0.704 -5.722 8.164 1.00 0.00 O ATOM 588 CB LYS A 42 1.746 -8.575 6.762 1.00 0.00 C ATOM 589 CG LYS A 42 2.120 -10.035 7.030 1.00 0.00 C ATOM 590 CD LYS A 42 3.488 -10.135 7.707 1.00 0.00 C ATOM 591 CE LYS A 42 3.982 -11.583 7.734 1.00 0.00 C ATOM 592 NZ LYS A 42 3.211 -12.375 8.719 1.00 0.00 N ATOM 0 H LYS A 42 -0.647 -9.424 6.854 1.00 0.00 H new ATOM 0 HA LYS A 42 1.175 -8.104 8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.366 -8.474 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.635 -7.949 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.363 -10.498 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.133 -10.589 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.207 -9.512 7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.423 -9.750 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.882 -12.026 6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.042 -11.607 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.559 -13.355 8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.328 -11.960 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.204 -12.367 8.459 1.00 0.00 H new ATOM 606 N ALA A 43 -0.688 -6.512 6.566 1.00 0.00 N ATOM 607 CA ALA A 43 -1.219 -5.203 6.224 1.00 0.00 C ATOM 608 C ALA A 43 -1.969 -4.631 7.429 1.00 0.00 C ATOM 609 O ALA A 43 -1.518 -3.667 8.045 1.00 0.00 O ATOM 610 CB ALA A 43 -2.108 -5.320 4.985 1.00 0.00 C ATOM 0 H ALA A 43 -1.078 -7.285 6.027 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.411 -4.513 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.506 -4.338 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.520 -5.702 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.932 -6.003 5.192 1.00 0.00 H new ATOM 616 N GLU A 44 -3.102 -5.251 7.728 1.00 0.00 N ATOM 617 CA GLU A 44 -3.919 -4.815 8.848 1.00 0.00 C ATOM 618 C GLU A 44 -3.033 -4.441 10.038 1.00 0.00 C ATOM 619 O GLU A 44 -3.275 -3.436 10.705 1.00 0.00 O ATOM 620 CB GLU A 44 -4.933 -5.892 9.238 1.00 0.00 C ATOM 621 CG GLU A 44 -5.776 -5.445 10.434 1.00 0.00 C ATOM 622 CD GLU A 44 -5.381 -6.209 11.699 1.00 0.00 C ATOM 623 OE1 GLU A 44 -4.255 -5.963 12.182 1.00 0.00 O ATOM 624 OE2 GLU A 44 -6.215 -7.022 12.155 1.00 0.00 O ATOM 0 H GLU A 44 -3.473 -6.051 7.215 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.477 -3.930 8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.584 -6.108 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.411 -6.817 9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.646 -4.375 10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.832 -5.609 10.221 1.00 0.00 H new ATOM 631 N ALA A 45 -2.024 -5.269 10.267 1.00 0.00 N ATOM 632 CA ALA A 45 -1.100 -5.037 11.365 1.00 0.00 C ATOM 633 C ALA A 45 -0.571 -3.603 11.286 1.00 0.00 C ATOM 634 O ALA A 45 -0.544 -2.891 12.289 1.00 0.00 O ATOM 635 CB ALA A 45 0.021 -6.076 11.317 1.00 0.00 C ATOM 0 H ALA A 45 -1.826 -6.101 9.711 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.607 -5.149 12.324 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.714 -5.902 12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.405 -7.075 11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.554 -5.992 10.370 1.00 0.00 H new ATOM 641 N ALA A 46 -0.162 -3.223 10.084 1.00 0.00 N ATOM 642 CA ALA A 46 0.366 -1.888 9.861 1.00 0.00 C ATOM 643 C ALA A 46 -0.758 -0.864 10.037 1.00 0.00 C ATOM 644 O ALA A 46 -0.971 -0.353 11.135 1.00 0.00 O ATOM 645 CB ALA A 46 1.007 -1.817 8.474 1.00 0.00 C ATOM 0 H ALA A 46 -0.186 -3.816 9.255 1.00 0.00 H new ATOM 0 HA ALA A 46 1.142 -1.655 10.591 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.403 -0.815 8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.818 -2.543 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.258 -2.042 7.715 1.00 0.00 H new ATOM 651 N ASP A 47 -1.447 -0.596 8.938 1.00 0.00 N ATOM 652 CA ASP A 47 -2.543 0.358 8.957 1.00 0.00 C ATOM 653 C ASP A 47 -3.122 0.491 7.547 1.00 0.00 C ATOM 654 O ASP A 47 -3.483 1.587 7.121 1.00 0.00 O ATOM 655 CB ASP A 47 -2.064 1.740 9.404 1.00 0.00 C ATOM 656 CG ASP A 47 -3.021 2.487 10.334 1.00 0.00 C ATOM 657 OD1 ASP A 47 -3.630 1.806 11.188 1.00 0.00 O ATOM 658 OD2 ASP A 47 -3.124 3.722 10.170 1.00 0.00 O ATOM 0 H ASP A 47 -1.268 -1.022 8.029 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.294 -0.006 9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.104 1.630 9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.891 2.352 8.519 1.00 0.00 H new ATOM 663 N LEU A 48 -3.191 -0.640 6.860 1.00 0.00 N ATOM 664 CA LEU A 48 -3.719 -0.663 5.507 1.00 0.00 C ATOM 665 C LEU A 48 -5.197 -1.058 5.548 1.00 0.00 C ATOM 666 O LEU A 48 -5.586 -1.945 6.306 1.00 0.00 O ATOM 667 CB LEU A 48 -2.866 -1.567 4.614 1.00 0.00 C ATOM 668 CG LEU A 48 -3.307 -1.675 3.153 1.00 0.00 C ATOM 669 CD1 LEU A 48 -3.292 -0.305 2.473 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.457 -2.699 2.398 1.00 0.00 C ATOM 0 H LEU A 48 -2.890 -1.547 7.216 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.665 0.330 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.839 -1.202 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.858 -2.568 5.046 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.336 -2.033 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.610 -0.410 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.973 0.368 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.283 0.105 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.791 -2.756 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.411 -2.394 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.563 -3.677 2.868 1.00 0.00 H new ATOM 682 N ARG A 49 -5.981 -0.380 4.722 1.00 0.00 N ATOM 683 CA ARG A 49 -7.407 -0.648 4.654 1.00 0.00 C ATOM 684 C ARG A 49 -7.883 -0.621 3.200 1.00 0.00 C ATOM 685 O ARG A 49 -7.230 -0.032 2.340 1.00 0.00 O ATOM 686 CB ARG A 49 -8.200 0.380 5.463 1.00 0.00 C ATOM 687 CG ARG A 49 -8.471 -0.128 6.880 1.00 0.00 C ATOM 688 CD ARG A 49 -9.146 0.950 7.730 1.00 0.00 C ATOM 689 NE ARG A 49 -9.780 0.336 8.918 1.00 0.00 N ATOM 690 CZ ARG A 49 -10.248 1.031 9.964 1.00 0.00 C ATOM 691 NH1 ARG A 49 -10.155 2.367 9.975 1.00 0.00 N ATOM 692 NH2 ARG A 49 -10.808 0.389 10.998 1.00 0.00 N ATOM 0 H ARG A 49 -5.655 0.355 4.094 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.579 -1.637 5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.646 1.318 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.145 0.592 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.106 -1.013 6.838 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.534 -0.430 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.411 1.691 8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.896 1.475 7.138 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.866 -0.680 8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.728 2.855 9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.511 2.896 10.771 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.878 -0.629 10.989 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.164 0.918 11.794 1.00 0.00 H new ATOM 706 N PRO A 50 -9.048 -1.282 2.964 1.00 0.00 N ATOM 707 CA PRO A 50 -9.620 -1.339 1.630 1.00 0.00 C ATOM 708 C PRO A 50 -10.262 -0.003 1.251 1.00 0.00 C ATOM 709 O PRO A 50 -11.077 0.533 2.000 1.00 0.00 O ATOM 710 CB PRO A 50 -10.618 -2.485 1.678 1.00 0.00 C ATOM 711 CG PRO A 50 -10.907 -2.724 3.151 1.00 0.00 C ATOM 712 CD PRO A 50 -9.849 -1.990 3.959 1.00 0.00 C ATOM 0 HA PRO A 50 -8.870 -1.513 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.530 -2.232 1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.208 -3.380 1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.903 -2.362 3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.887 -3.790 3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.302 -1.297 4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.239 -2.685 4.537 1.00 0.00 H new ATOM 720 N GLY A 51 -9.869 0.497 0.088 1.00 0.00 N ATOM 721 CA GLY A 51 -10.396 1.760 -0.400 1.00 0.00 C ATOM 722 C GLY A 51 -9.295 2.820 -0.476 1.00 0.00 C ATOM 723 O GLY A 51 -9.405 3.781 -1.236 1.00 0.00 O ATOM 0 H GLY A 51 -9.192 0.050 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.837 1.617 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.193 2.105 0.259 1.00 0.00 H new ATOM 727 N ASP A 52 -8.259 2.610 0.323 1.00 0.00 N ATOM 728 CA ASP A 52 -7.139 3.536 0.356 1.00 0.00 C ATOM 729 C ASP A 52 -6.533 3.645 -1.045 1.00 0.00 C ATOM 730 O ASP A 52 -6.208 2.634 -1.665 1.00 0.00 O ATOM 731 CB ASP A 52 -6.046 3.044 1.307 1.00 0.00 C ATOM 732 CG ASP A 52 -6.487 2.866 2.761 1.00 0.00 C ATOM 733 OD1 ASP A 52 -7.206 3.764 3.251 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.096 1.835 3.350 1.00 0.00 O ATOM 0 H ASP A 52 -8.171 1.812 0.953 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.509 4.502 0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.667 2.091 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.216 3.750 1.279 1.00 0.00 H new ATOM 739 N ILE A 53 -6.398 4.882 -1.501 1.00 0.00 N ATOM 740 CA ILE A 53 -5.837 5.137 -2.817 1.00 0.00 C ATOM 741 C ILE A 53 -4.310 5.152 -2.720 1.00 0.00 C ATOM 742 O ILE A 53 -3.735 6.014 -2.057 1.00 0.00 O ATOM 743 CB ILE A 53 -6.428 6.415 -3.413 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.921 6.245 -3.704 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.649 6.853 -4.655 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.618 7.603 -3.806 1.00 0.00 C ATOM 0 H ILE A 53 -6.667 5.718 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.106 4.338 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.332 7.211 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.053 5.694 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.384 5.653 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.090 7.764 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.610 7.042 -4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.691 6.065 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.678 7.453 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.505 8.142 -2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.169 8.183 -4.612 1.00 0.00 H new ATOM 758 N ILE A 54 -3.696 4.189 -3.392 1.00 0.00 N ATOM 759 CA ILE A 54 -2.247 4.082 -3.391 1.00 0.00 C ATOM 760 C ILE A 54 -1.658 5.172 -4.288 1.00 0.00 C ATOM 761 O ILE A 54 -1.879 5.171 -5.498 1.00 0.00 O ATOM 762 CB ILE A 54 -1.815 2.666 -3.778 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.995 1.698 -2.606 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.382 2.658 -4.313 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.574 0.280 -2.997 1.00 0.00 C ATOM 0 H ILE A 54 -4.176 3.476 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.853 4.248 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.462 2.319 -4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.402 2.036 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.037 1.697 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.099 1.640 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.319 3.296 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.295 3.032 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.712 -0.388 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.185 -0.064 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.525 0.280 -3.292 1.00 0.00 H new ATOM 777 N VAL A 55 -0.920 6.075 -3.661 1.00 0.00 N ATOM 778 CA VAL A 55 -0.298 7.169 -4.387 1.00 0.00 C ATOM 779 C VAL A 55 1.071 6.719 -4.902 1.00 0.00 C ATOM 780 O VAL A 55 1.411 6.954 -6.060 1.00 0.00 O ATOM 781 CB VAL A 55 -0.224 8.412 -3.499 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.303 9.690 -4.337 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.318 8.389 -2.430 1.00 0.00 C ATOM 0 H VAL A 55 -0.738 6.072 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.899 7.442 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 55 0.740 8.403 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.248 10.559 -3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.528 9.715 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.245 9.708 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.242 9.284 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.296 8.361 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.196 7.505 -1.804 1.00 0.00 H new ATOM 793 N ALA A 56 1.821 6.081 -4.015 1.00 0.00 N ATOM 794 CA ALA A 56 3.145 5.596 -4.365 1.00 0.00 C ATOM 795 C ALA A 56 3.339 4.193 -3.787 1.00 0.00 C ATOM 796 O ALA A 56 2.486 3.696 -3.054 1.00 0.00 O ATOM 797 CB ALA A 56 4.200 6.585 -3.863 1.00 0.00 C ATOM 0 H ALA A 56 1.537 5.889 -3.054 1.00 0.00 H new ATOM 0 HA ALA A 56 3.254 5.524 -5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.194 6.221 -4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.036 7.558 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.123 6.681 -2.780 1.00 0.00 H new ATOM 803 N ILE A 57 4.467 3.594 -4.139 1.00 0.00 N ATOM 804 CA ILE A 57 4.785 2.258 -3.664 1.00 0.00 C ATOM 805 C ILE A 57 6.235 2.225 -3.177 1.00 0.00 C ATOM 806 O ILE A 57 7.162 2.156 -3.982 1.00 0.00 O ATOM 807 CB ILE A 57 4.475 1.218 -4.743 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.965 1.059 -4.935 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.156 -0.116 -4.431 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.656 0.070 -6.060 1.00 0.00 C ATOM 0 H ILE A 57 5.172 4.009 -4.748 1.00 0.00 H new ATOM 0 HA ILE A 57 4.157 1.998 -2.812 1.00 0.00 H new ATOM 0 HB ILE A 57 4.884 1.575 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.511 0.712 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.520 2.027 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.919 -0.837 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.235 0.028 -4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.799 -0.491 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.576 -0.024 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.090 0.432 -6.992 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.081 -0.903 -5.816 1.00 0.00 H new ATOM 822 N ASN A 58 6.385 2.276 -1.862 1.00 0.00 N ATOM 823 CA ASN A 58 7.706 2.253 -1.258 1.00 0.00 C ATOM 824 C ASN A 58 8.390 3.602 -1.486 1.00 0.00 C ATOM 825 O ASN A 58 9.593 3.737 -1.269 1.00 0.00 O ATOM 826 CB ASN A 58 8.581 1.167 -1.887 1.00 0.00 C ATOM 827 CG ASN A 58 9.640 0.674 -0.899 1.00 0.00 C ATOM 828 OD1 ASN A 58 9.314 -0.454 -0.275 1.00 0.00 O flip ATOM 829 ND2 ASN A 58 10.683 1.279 -0.715 1.00 0.00 N flip ATOM 0 H ASN A 58 5.613 2.333 -1.198 1.00 0.00 H new ATOM 0 HA ASN A 58 7.586 2.048 -0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.957 0.331 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.067 1.559 -2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.870 2.140 -1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.368 0.924 -0.048 1.00 0.00 H new ATOM 836 N GLY A 59 7.593 4.567 -1.922 1.00 0.00 N ATOM 837 CA GLY A 59 8.107 5.901 -2.182 1.00 0.00 C ATOM 838 C GLY A 59 8.084 6.215 -3.679 1.00 0.00 C ATOM 839 O GLY A 59 8.297 7.358 -4.081 1.00 0.00 O ATOM 0 H GLY A 59 6.596 4.451 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.509 6.636 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.127 5.982 -1.805 1.00 0.00 H new ATOM 843 N GLN A 60 7.823 5.180 -4.464 1.00 0.00 N ATOM 844 CA GLN A 60 7.769 5.331 -5.908 1.00 0.00 C ATOM 845 C GLN A 60 6.331 5.585 -6.362 1.00 0.00 C ATOM 846 O GLN A 60 5.446 4.765 -6.123 1.00 0.00 O ATOM 847 CB GLN A 60 8.357 4.105 -6.610 1.00 0.00 C ATOM 848 CG GLN A 60 8.091 4.155 -8.116 1.00 0.00 C ATOM 849 CD GLN A 60 9.402 4.203 -8.903 1.00 0.00 C ATOM 850 OE1 GLN A 60 10.470 4.446 -8.366 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.262 3.959 -10.203 1.00 0.00 N ATOM 0 H GLN A 60 7.647 4.233 -4.127 1.00 0.00 H new ATOM 0 HA GLN A 60 8.375 6.194 -6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.431 4.058 -6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.922 3.198 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.514 3.280 -8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.488 5.031 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.338 3.762 -10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.078 3.968 -10.814 1.00 0.00 H new ATOM 860 N SER A 61 6.141 6.725 -7.010 1.00 0.00 N ATOM 861 CA SER A 61 4.825 7.098 -7.500 1.00 0.00 C ATOM 862 C SER A 61 4.107 5.868 -8.058 1.00 0.00 C ATOM 863 O SER A 61 4.720 5.035 -8.723 1.00 0.00 O ATOM 864 CB SER A 61 4.924 8.186 -8.571 1.00 0.00 C ATOM 865 OG SER A 61 4.756 9.491 -8.024 1.00 0.00 O ATOM 0 H SER A 61 6.877 7.403 -7.207 1.00 0.00 H new ATOM 0 HA SER A 61 4.250 7.499 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.894 8.122 -9.064 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.166 8.013 -9.335 1.00 0.00 H new ATOM 0 HG SER A 61 4.828 10.157 -8.739 1.00 0.00 H new ATOM 871 N ALA A 62 2.816 5.793 -7.766 1.00 0.00 N ATOM 872 CA ALA A 62 2.008 4.678 -8.230 1.00 0.00 C ATOM 873 C ALA A 62 0.887 5.206 -9.128 1.00 0.00 C ATOM 874 O ALA A 62 -0.005 4.454 -9.521 1.00 0.00 O ATOM 875 CB ALA A 62 1.474 3.899 -7.027 1.00 0.00 C ATOM 0 H ALA A 62 2.310 6.486 -7.214 1.00 0.00 H new ATOM 0 HA ALA A 62 2.609 3.989 -8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.868 3.063 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.310 3.521 -6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.863 4.557 -6.409 1.00 0.00 H new ATOM 881 N GLU A 63 0.968 6.494 -9.426 1.00 0.00 N ATOM 882 CA GLU A 63 -0.029 7.131 -10.269 1.00 0.00 C ATOM 883 C GLU A 63 0.009 6.536 -11.678 1.00 0.00 C ATOM 884 O GLU A 63 -1.030 6.377 -12.317 1.00 0.00 O ATOM 885 CB GLU A 63 0.174 8.647 -10.309 1.00 0.00 C ATOM 886 CG GLU A 63 -0.777 9.353 -9.339 1.00 0.00 C ATOM 887 CD GLU A 63 -1.406 10.587 -9.989 1.00 0.00 C ATOM 888 OE1 GLU A 63 -2.433 10.404 -10.678 1.00 0.00 O ATOM 889 OE2 GLU A 63 -0.846 11.685 -9.782 1.00 0.00 O ATOM 0 H GLU A 63 1.709 7.114 -9.099 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.013 6.940 -9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.206 8.886 -10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.005 9.014 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.561 8.663 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.234 9.647 -8.441 1.00 0.00 H new ATOM 896 N ASN A 64 1.218 6.223 -12.121 1.00 0.00 N ATOM 897 CA ASN A 64 1.405 5.649 -13.443 1.00 0.00 C ATOM 898 C ASN A 64 1.878 4.201 -13.303 1.00 0.00 C ATOM 899 O ASN A 64 2.765 3.760 -14.033 1.00 0.00 O ATOM 900 CB ASN A 64 2.466 6.419 -14.233 1.00 0.00 C ATOM 901 CG ASN A 64 1.912 7.753 -14.738 1.00 0.00 C ATOM 902 OD1 ASN A 64 0.930 7.814 -15.458 1.00 0.00 O ATOM 903 ND2 ASN A 64 2.597 8.815 -14.321 1.00 0.00 N ATOM 0 H ASN A 64 2.078 6.356 -11.588 1.00 0.00 H new ATOM 0 HA ASN A 64 0.453 5.702 -13.971 1.00 0.00 H new ATOM 0 HB2 ASN A 64 3.336 6.598 -13.601 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.803 5.818 -15.077 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.308 9.751 -14.604 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.411 8.693 -13.719 1.00 0.00 H new ATOM 910 N MET A 65 1.266 3.501 -12.359 1.00 0.00 N ATOM 911 CA MET A 65 1.614 2.111 -12.114 1.00 0.00 C ATOM 912 C MET A 65 0.490 1.177 -12.567 1.00 0.00 C ATOM 913 O MET A 65 -0.592 1.171 -11.981 1.00 0.00 O ATOM 914 CB MET A 65 1.877 1.907 -10.621 1.00 0.00 C ATOM 915 CG MET A 65 3.347 2.166 -10.283 1.00 0.00 C ATOM 916 SD MET A 65 3.691 1.641 -8.612 1.00 0.00 S ATOM 917 CE MET A 65 5.415 2.088 -8.496 1.00 0.00 C ATOM 0 H MET A 65 0.532 3.870 -11.755 1.00 0.00 H new ATOM 0 HA MET A 65 2.511 1.874 -12.686 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.243 2.578 -10.041 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.608 0.890 -10.336 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.989 1.629 -10.981 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.573 3.227 -10.393 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.003 1.207 -8.238 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.754 2.482 -9.454 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.543 2.848 -7.725 1.00 0.00 H new ATOM 927 N LEU A 66 0.785 0.409 -13.605 1.00 0.00 N ATOM 928 CA LEU A 66 -0.187 -0.528 -14.143 1.00 0.00 C ATOM 929 C LEU A 66 -0.562 -1.544 -13.063 1.00 0.00 C ATOM 930 O LEU A 66 0.199 -1.765 -12.122 1.00 0.00 O ATOM 931 CB LEU A 66 0.339 -1.165 -15.431 1.00 0.00 C ATOM 932 CG LEU A 66 0.928 -0.203 -16.464 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.174 -0.799 -17.121 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.125 0.205 -17.497 1.00 0.00 C ATOM 0 H LEU A 66 1.683 0.416 -14.088 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.103 -0.008 -14.423 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.104 -1.894 -15.166 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.477 -1.715 -15.900 1.00 0.00 H new ATOM 0 HG LEU A 66 1.240 0.704 -15.946 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.573 -0.095 -17.851 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.928 -0.997 -16.359 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.911 -1.731 -17.622 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.320 0.889 -18.220 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.490 -0.682 -18.014 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.956 0.699 -16.994 1.00 0.00 H new ATOM 946 N HIS A 67 -1.736 -2.134 -13.233 1.00 0.00 N ATOM 947 CA HIS A 67 -2.222 -3.122 -12.284 1.00 0.00 C ATOM 948 C HIS A 67 -1.210 -4.263 -12.168 1.00 0.00 C ATOM 949 O HIS A 67 -1.202 -4.993 -11.178 1.00 0.00 O ATOM 950 CB HIS A 67 -3.620 -3.606 -12.671 1.00 0.00 C ATOM 951 CG HIS A 67 -4.317 -4.398 -11.591 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.208 -3.826 -10.699 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.246 -5.721 -11.269 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.646 -4.772 -9.881 1.00 0.00 C ATOM 955 NE2 HIS A 67 -5.048 -5.946 -10.236 1.00 0.00 N ATOM 0 H HIS A 67 -2.365 -1.947 -14.014 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.319 -2.667 -11.298 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.234 -2.743 -12.928 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.545 -4.222 -13.567 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.481 -2.843 -10.675 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.639 -6.461 -11.770 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.352 -4.637 -9.075 1.00 0.00 H new ATOM 963 N ALA A 68 -0.381 -4.383 -13.195 1.00 0.00 N ATOM 964 CA ALA A 68 0.633 -5.423 -13.221 1.00 0.00 C ATOM 965 C ALA A 68 1.943 -4.868 -12.658 1.00 0.00 C ATOM 966 O ALA A 68 2.789 -5.624 -12.185 1.00 0.00 O ATOM 967 CB ALA A 68 0.789 -5.949 -14.650 1.00 0.00 C ATOM 0 H ALA A 68 -0.391 -3.777 -14.015 1.00 0.00 H new ATOM 0 HA ALA A 68 0.335 -6.264 -12.594 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.550 -6.729 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.161 -6.360 -14.992 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.089 -5.133 -15.307 1.00 0.00 H new ATOM 973 N GLU A 69 2.068 -3.551 -12.728 1.00 0.00 N ATOM 974 CA GLU A 69 3.261 -2.885 -12.231 1.00 0.00 C ATOM 975 C GLU A 69 3.278 -2.900 -10.702 1.00 0.00 C ATOM 976 O GLU A 69 4.153 -3.514 -10.093 1.00 0.00 O ATOM 977 CB GLU A 69 3.354 -1.455 -12.767 1.00 0.00 C ATOM 978 CG GLU A 69 3.861 -1.442 -14.210 1.00 0.00 C ATOM 979 CD GLU A 69 4.289 -0.034 -14.629 1.00 0.00 C ATOM 980 OE1 GLU A 69 3.379 0.778 -14.903 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.517 0.199 -14.664 1.00 0.00 O ATOM 0 H GLU A 69 1.363 -2.927 -13.121 1.00 0.00 H new ATOM 0 HA GLU A 69 4.134 -3.430 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.374 -0.980 -12.718 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.024 -0.870 -12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.703 -2.126 -14.309 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.078 -1.801 -14.877 1.00 0.00 H new ATOM 988 N ALA A 70 2.301 -2.217 -10.124 1.00 0.00 N ATOM 989 CA ALA A 70 2.193 -2.143 -8.677 1.00 0.00 C ATOM 990 C ALA A 70 2.094 -3.559 -8.105 1.00 0.00 C ATOM 991 O ALA A 70 2.739 -3.876 -7.106 1.00 0.00 O ATOM 992 CB ALA A 70 0.992 -1.276 -8.297 1.00 0.00 C ATOM 0 H ALA A 70 1.577 -1.710 -10.632 1.00 0.00 H new ATOM 0 HA ALA A 70 3.080 -1.675 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.912 -1.221 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.125 -0.273 -8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.082 -1.715 -8.706 1.00 0.00 H new ATOM 998 N GLN A 71 1.281 -4.373 -8.762 1.00 0.00 N ATOM 999 CA GLN A 71 1.089 -5.747 -8.331 1.00 0.00 C ATOM 1000 C GLN A 71 2.438 -6.401 -8.027 1.00 0.00 C ATOM 1001 O GLN A 71 2.634 -6.955 -6.946 1.00 0.00 O ATOM 1002 CB GLN A 71 0.316 -6.548 -9.381 1.00 0.00 C ATOM 1003 CG GLN A 71 -1.186 -6.532 -9.086 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.514 -7.395 -7.866 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.911 -7.279 -6.812 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.500 -8.264 -8.068 1.00 0.00 N ATOM 0 H GLN A 71 0.748 -4.107 -9.590 1.00 0.00 H new ATOM 0 HA GLN A 71 0.496 -5.741 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.500 -6.130 -10.371 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.676 -7.577 -9.397 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.515 -5.508 -8.910 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.735 -6.899 -9.954 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.963 -8.309 -8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.794 -8.886 -7.315 1.00 0.00 H new ATOM 1015 N SER A 72 3.334 -6.316 -9.000 1.00 0.00 N ATOM 1016 CA SER A 72 4.659 -6.893 -8.849 1.00 0.00 C ATOM 1017 C SER A 72 5.495 -6.041 -7.892 1.00 0.00 C ATOM 1018 O SER A 72 6.033 -6.550 -6.911 1.00 0.00 O ATOM 1019 CB SER A 72 5.363 -7.017 -10.202 1.00 0.00 C ATOM 1020 OG SER A 72 6.748 -7.315 -10.058 1.00 0.00 O ATOM 0 H SER A 72 3.168 -5.856 -9.895 1.00 0.00 H new ATOM 0 HA SER A 72 4.550 -7.895 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.883 -7.799 -10.790 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.248 -6.086 -10.757 1.00 0.00 H new ATOM 0 HG SER A 72 7.161 -7.387 -10.944 1.00 0.00 H new ATOM 1026 N LYS A 73 5.578 -4.758 -8.212 1.00 0.00 N ATOM 1027 CA LYS A 73 6.340 -3.830 -7.393 1.00 0.00 C ATOM 1028 C LYS A 73 6.145 -4.182 -5.916 1.00 0.00 C ATOM 1029 O LYS A 73 7.102 -4.531 -5.226 1.00 0.00 O ATOM 1030 CB LYS A 73 5.970 -2.385 -7.734 1.00 0.00 C ATOM 1031 CG LYS A 73 6.809 -1.866 -8.904 1.00 0.00 C ATOM 1032 CD LYS A 73 8.120 -1.254 -8.409 1.00 0.00 C ATOM 1033 CE LYS A 73 8.616 -0.170 -9.368 1.00 0.00 C ATOM 1034 NZ LYS A 73 10.064 0.068 -9.177 1.00 0.00 N ATOM 0 H LYS A 73 5.130 -4.339 -9.027 1.00 0.00 H new ATOM 0 HA LYS A 73 7.405 -3.921 -7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.911 -2.327 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.125 -1.751 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.022 -2.683 -9.594 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.242 -1.119 -9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.974 -0.828 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.876 -2.033 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.424 -0.471 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.064 0.754 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.384 0.806 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.239 0.376 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.588 -0.811 -9.362 1.00 0.00 H new ATOM 1048 N ILE A 74 4.900 -4.078 -5.475 1.00 0.00 N ATOM 1049 CA ILE A 74 4.568 -4.381 -4.094 1.00 0.00 C ATOM 1050 C ILE A 74 5.308 -5.649 -3.662 1.00 0.00 C ATOM 1051 O ILE A 74 6.075 -5.627 -2.700 1.00 0.00 O ATOM 1052 CB ILE A 74 3.051 -4.464 -3.913 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.452 -3.077 -3.667 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.684 -5.452 -2.804 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.030 -2.987 -4.225 1.00 0.00 C ATOM 0 H ILE A 74 4.109 -3.788 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 74 4.901 -3.577 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 74 2.617 -4.843 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.441 -2.866 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.079 -2.318 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.600 -5.492 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.060 -6.443 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.130 -5.127 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.628 -1.992 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.048 -3.174 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.400 -3.731 -3.737 1.00 0.00 H new ATOM 1067 N ARG A 75 5.052 -6.723 -4.393 1.00 0.00 N ATOM 1068 CA ARG A 75 5.685 -7.998 -4.098 1.00 0.00 C ATOM 1069 C ARG A 75 7.208 -7.851 -4.118 1.00 0.00 C ATOM 1070 O ARG A 75 7.912 -8.559 -3.399 1.00 0.00 O ATOM 1071 CB ARG A 75 5.269 -9.067 -5.110 1.00 0.00 C ATOM 1072 CG ARG A 75 5.646 -10.465 -4.617 1.00 0.00 C ATOM 1073 CD ARG A 75 4.811 -11.538 -5.318 1.00 0.00 C ATOM 1074 NE ARG A 75 4.381 -12.564 -4.342 1.00 0.00 N ATOM 1075 CZ ARG A 75 5.212 -13.439 -3.758 1.00 0.00 C ATOM 1076 NH1 ARG A 75 6.520 -13.418 -4.048 1.00 0.00 N ATOM 1077 NH2 ARG A 75 4.734 -14.335 -2.884 1.00 0.00 N ATOM 0 H ARG A 75 4.415 -6.737 -5.189 1.00 0.00 H new ATOM 0 HA ARG A 75 5.359 -8.308 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.193 -9.015 -5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.751 -8.873 -6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.705 -10.646 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.494 -10.528 -3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.939 -11.083 -5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.394 -12.003 -6.113 1.00 0.00 H new ATOM 0 HE ARG A 75 3.391 -12.608 -4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.884 -12.736 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.152 -14.084 -3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.738 -14.351 -2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.366 -15.001 -2.439 1.00 0.00 H new ATOM 1091 N GLN A 76 7.671 -6.929 -4.948 1.00 0.00 N ATOM 1092 CA GLN A 76 9.098 -6.680 -5.070 1.00 0.00 C ATOM 1093 C GLN A 76 9.558 -5.687 -4.001 1.00 0.00 C ATOM 1094 O GLN A 76 10.749 -5.403 -3.884 1.00 0.00 O ATOM 1095 CB GLN A 76 9.448 -6.178 -6.472 1.00 0.00 C ATOM 1096 CG GLN A 76 9.124 -7.235 -7.530 1.00 0.00 C ATOM 1097 CD GLN A 76 10.354 -7.554 -8.382 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.487 -7.477 -7.936 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.069 -7.915 -9.630 1.00 0.00 N ATOM 0 H GLN A 76 7.084 -6.345 -5.543 1.00 0.00 H new ATOM 0 HA GLN A 76 9.626 -7.621 -4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.893 -5.264 -6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.507 -5.925 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.768 -8.144 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.317 -6.879 -8.170 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.098 -7.959 -9.939 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.821 -8.148 -10.278 1.00 0.00 H new ATOM 1108 N SER A 77 8.589 -5.187 -3.248 1.00 0.00 N ATOM 1109 CA SER A 77 8.879 -4.231 -2.193 1.00 0.00 C ATOM 1110 C SER A 77 9.459 -4.955 -0.976 1.00 0.00 C ATOM 1111 O SER A 77 8.860 -5.903 -0.469 1.00 0.00 O ATOM 1112 CB SER A 77 7.625 -3.449 -1.797 1.00 0.00 C ATOM 1113 OG SER A 77 7.898 -2.064 -1.605 1.00 0.00 O ATOM 0 H SER A 77 7.602 -5.426 -3.348 1.00 0.00 H new ATOM 0 HA SER A 77 9.614 -3.519 -2.569 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.866 -3.565 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.211 -3.868 -0.879 1.00 0.00 H new ATOM 0 HG SER A 77 8.587 -1.959 -0.916 1.00 0.00 H new ATOM 1119 N ALA A 78 10.618 -4.482 -0.543 1.00 0.00 N ATOM 1120 CA ALA A 78 11.285 -5.073 0.605 1.00 0.00 C ATOM 1121 C ALA A 78 10.527 -4.698 1.879 1.00 0.00 C ATOM 1122 O ALA A 78 9.754 -3.741 1.887 1.00 0.00 O ATOM 1123 CB ALA A 78 12.745 -4.615 0.639 1.00 0.00 C ATOM 0 H ALA A 78 11.112 -3.697 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 78 11.286 -6.160 0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.245 -5.058 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.247 -4.932 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.784 -3.528 0.716 1.00 0.00 H new ATOM 1129 N SER A 79 10.774 -5.472 2.926 1.00 0.00 N ATOM 1130 CA SER A 79 10.124 -5.232 4.204 1.00 0.00 C ATOM 1131 C SER A 79 10.980 -4.298 5.060 1.00 0.00 C ATOM 1132 O SER A 79 12.196 -4.467 5.143 1.00 0.00 O ATOM 1133 CB SER A 79 9.866 -6.546 4.945 1.00 0.00 C ATOM 1134 OG SER A 79 11.076 -7.154 5.389 1.00 0.00 O ATOM 0 H SER A 79 11.415 -6.265 2.916 1.00 0.00 H new ATOM 0 HA SER A 79 9.161 -4.758 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.219 -6.358 5.802 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.334 -7.234 4.288 1.00 0.00 H new ATOM 0 HG SER A 79 10.869 -7.989 5.859 1.00 0.00 H new ATOM 1140 N PRO A 80 10.295 -3.307 5.692 1.00 0.00 N ATOM 1141 CA PRO A 80 8.856 -3.179 5.540 1.00 0.00 C ATOM 1142 C PRO A 80 8.499 -2.599 4.170 1.00 0.00 C ATOM 1143 O PRO A 80 9.346 -2.008 3.502 1.00 0.00 O ATOM 1144 CB PRO A 80 8.416 -2.291 6.693 1.00 0.00 C ATOM 1145 CG PRO A 80 9.671 -1.580 7.173 1.00 0.00 C ATOM 1146 CD PRO A 80 10.870 -2.288 6.564 1.00 0.00 C ATOM 0 HA PRO A 80 8.342 -4.140 5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.661 -1.575 6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.971 -2.882 7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.654 -0.532 6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.728 -1.600 8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.497 -1.594 6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.499 -2.735 7.334 1.00 0.00 H new ATOM 1154 N LEU A 81 7.243 -2.789 3.791 1.00 0.00 N ATOM 1155 CA LEU A 81 6.764 -2.292 2.513 1.00 0.00 C ATOM 1156 C LEU A 81 5.959 -1.011 2.738 1.00 0.00 C ATOM 1157 O LEU A 81 4.827 -1.060 3.217 1.00 0.00 O ATOM 1158 CB LEU A 81 5.989 -3.383 1.771 1.00 0.00 C ATOM 1159 CG LEU A 81 5.122 -2.912 0.602 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.659 -2.770 1.026 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.671 -1.619 -0.003 1.00 0.00 C ATOM 0 H LEU A 81 6.543 -3.280 4.347 1.00 0.00 H new ATOM 0 HA LEU A 81 7.602 -2.032 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.703 -4.117 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.349 -3.898 2.488 1.00 0.00 H new ATOM 0 HG LEU A 81 5.159 -3.673 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.065 -2.434 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.285 -3.734 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.583 -2.041 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.036 -1.307 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.685 -0.839 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.684 -1.789 -0.367 1.00 0.00 H new ATOM 1173 N ARG A 82 6.574 0.107 2.381 1.00 0.00 N ATOM 1174 CA ARG A 82 5.929 1.400 2.538 1.00 0.00 C ATOM 1175 C ARG A 82 4.963 1.655 1.379 1.00 0.00 C ATOM 1176 O ARG A 82 5.297 1.406 0.222 1.00 0.00 O ATOM 1177 CB ARG A 82 6.961 2.528 2.590 1.00 0.00 C ATOM 1178 CG ARG A 82 6.829 3.332 3.885 1.00 0.00 C ATOM 1179 CD ARG A 82 8.109 4.119 4.175 1.00 0.00 C ATOM 1180 NE ARG A 82 9.039 3.295 4.979 1.00 0.00 N ATOM 1181 CZ ARG A 82 10.358 3.513 5.059 1.00 0.00 C ATOM 1182 NH1 ARG A 82 10.912 4.530 4.384 1.00 0.00 N ATOM 1183 NH2 ARG A 82 11.125 2.714 5.814 1.00 0.00 N ATOM 0 H ARG A 82 7.513 0.144 1.983 1.00 0.00 H new ATOM 0 HA ARG A 82 5.378 1.384 3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.965 2.111 2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.827 3.188 1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.986 4.018 3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.616 2.659 4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.586 4.412 3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.868 5.037 4.711 1.00 0.00 H new ATOM 0 HE ARG A 82 8.651 2.512 5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.329 5.138 3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.917 4.696 4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.704 1.940 6.328 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.130 2.880 5.875 1.00 0.00 H new ATOM 1197 N LEU A 83 3.784 2.147 1.731 1.00 0.00 N ATOM 1198 CA LEU A 83 2.768 2.439 0.734 1.00 0.00 C ATOM 1199 C LEU A 83 2.115 3.785 1.057 1.00 0.00 C ATOM 1200 O LEU A 83 1.545 3.961 2.132 1.00 0.00 O ATOM 1201 CB LEU A 83 1.772 1.282 0.631 1.00 0.00 C ATOM 1202 CG LEU A 83 2.273 0.028 -0.089 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.306 -1.140 0.107 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.534 0.314 -1.570 1.00 0.00 C ATOM 0 H LEU A 83 3.510 2.351 2.692 1.00 0.00 H new ATOM 0 HA LEU A 83 3.219 2.531 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.467 1.001 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.881 1.641 0.116 1.00 0.00 H new ATOM 0 HG LEU A 83 3.224 -0.264 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.686 -2.018 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.214 -1.361 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.328 -0.874 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.889 -0.593 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.610 0.644 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.289 1.095 -1.662 1.00 0.00 H new ATOM 1216 N GLN A 84 2.221 4.700 0.105 1.00 0.00 N ATOM 1217 CA GLN A 84 1.648 6.025 0.274 1.00 0.00 C ATOM 1218 C GLN A 84 0.179 6.027 -0.154 1.00 0.00 C ATOM 1219 O GLN A 84 -0.131 5.808 -1.324 1.00 0.00 O ATOM 1220 CB GLN A 84 2.447 7.071 -0.506 1.00 0.00 C ATOM 1221 CG GLN A 84 2.074 8.488 -0.063 1.00 0.00 C ATOM 1222 CD GLN A 84 2.299 9.493 -1.195 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.215 9.374 -1.992 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.415 10.486 -1.219 1.00 0.00 N ATOM 0 H GLN A 84 2.695 4.550 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 84 1.699 6.289 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.514 6.907 -0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.257 6.958 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.030 8.513 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.671 8.771 0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.672 10.525 -0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.479 11.209 -1.936 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.687 6.275 0.818 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.116 6.308 0.557 1.00 0.00 C ATOM 1235 C LEU A 85 -2.588 7.763 0.509 1.00 0.00 C ATOM 1236 O LEU A 85 -2.066 8.612 1.229 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.867 5.451 1.577 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.178 4.151 1.998 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.962 3.450 3.109 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.948 3.237 0.793 1.00 0.00 C ATOM 0 H LEU A 85 -0.426 6.455 1.788 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.336 5.869 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.041 6.052 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.845 5.203 1.164 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.198 4.400 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.451 2.529 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.029 4.106 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.965 3.214 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.457 2.320 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.906 2.992 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.317 3.747 0.065 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.570 8.005 -0.346 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.119 9.342 -0.496 1.00 0.00 C ATOM 1254 C ASP A 86 -5.447 9.432 0.257 1.00 0.00 C ATOM 1255 O ASP A 86 -6.475 8.964 -0.231 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.387 9.665 -1.968 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.867 11.025 -2.437 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.720 11.353 -2.062 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.627 11.705 -3.159 1.00 0.00 O ATOM 0 H ASP A 86 -4.000 7.298 -0.942 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.393 10.051 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.934 8.888 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.462 9.624 -2.143 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.383 10.036 1.435 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.568 10.194 2.261 1.00 0.00 C ATOM 1266 C ARG A 87 -7.019 11.656 2.270 1.00 0.00 C ATOM 1267 O ARG A 87 -6.402 12.495 2.924 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.302 9.740 3.698 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.610 9.410 4.419 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.504 8.079 5.165 1.00 0.00 C ATOM 1271 NE ARG A 87 -8.220 7.021 4.418 1.00 0.00 N ATOM 1272 CZ ARG A 87 -8.574 5.840 4.941 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -8.281 5.557 6.218 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -9.221 4.940 4.188 1.00 0.00 N ATOM 0 H ARG A 87 -4.529 10.422 1.837 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.354 9.571 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.654 8.863 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.772 10.524 4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.853 10.207 5.122 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.425 9.362 3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.456 7.804 5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.926 8.179 6.165 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.459 7.203 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.788 6.241 6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.551 4.657 6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.444 5.154 3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.490 4.041 4.587 1.00 0.00 H new ATOM 1288 N SER A 88 -8.091 11.915 1.536 1.00 0.00 N ATOM 1289 CA SER A 88 -8.632 13.261 1.451 1.00 0.00 C ATOM 1290 C SER A 88 -10.131 13.205 1.150 1.00 0.00 C ATOM 1291 O SER A 88 -10.531 13.117 -0.010 1.00 0.00 O ATOM 1292 CB SER A 88 -7.906 14.080 0.382 1.00 0.00 C ATOM 1293 OG SER A 88 -8.400 15.415 0.305 1.00 0.00 O ATOM 0 H SER A 88 -8.600 11.216 0.995 1.00 0.00 H new ATOM 0 HA SER A 88 -8.479 13.752 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.839 14.101 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.021 13.594 -0.587 1.00 0.00 H new ATOM 0 HG SER A 88 -7.910 15.906 -0.388 1.00 0.00 H new ATOM 1299 N SER A 89 -10.919 13.259 2.214 1.00 0.00 N ATOM 1300 CA SER A 89 -12.364 13.216 2.077 1.00 0.00 C ATOM 1301 C SER A 89 -12.986 14.472 2.691 1.00 0.00 C ATOM 1302 O SER A 89 -13.894 15.066 2.111 1.00 0.00 O ATOM 1303 CB SER A 89 -12.942 11.962 2.736 1.00 0.00 C ATOM 1304 OG SER A 89 -13.190 10.927 1.789 1.00 0.00 O ATOM 0 H SER A 89 -10.583 13.332 3.174 1.00 0.00 H new ATOM 0 HA SER A 89 -12.606 13.181 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.249 11.600 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.871 12.216 3.247 1.00 0.00 H new ATOM 0 HG SER A 89 -13.557 10.143 2.249 1.00 0.00 H new ATOM 1310 N GLY A 90 -12.472 14.840 3.855 1.00 0.00 N ATOM 1311 CA GLY A 90 -12.966 16.014 4.553 1.00 0.00 C ATOM 1312 C GLY A 90 -13.583 15.633 5.901 1.00 0.00 C ATOM 1313 O GLY A 90 -13.108 14.715 6.567 1.00 0.00 O ATOM 0 H GLY A 90 -11.718 14.346 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -12.149 16.719 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -13.711 16.520 3.939 1.00 0.00 H new ATOM 1317 N PRO A 91 -14.660 16.377 6.271 1.00 0.00 N ATOM 1318 CA PRO A 91 -15.347 16.126 7.526 1.00 0.00 C ATOM 1319 C PRO A 91 -16.205 14.862 7.438 1.00 0.00 C ATOM 1320 O PRO A 91 -16.231 14.195 6.405 1.00 0.00 O ATOM 1321 CB PRO A 91 -16.162 17.381 7.786 1.00 0.00 C ATOM 1322 CG PRO A 91 -16.268 18.095 6.448 1.00 0.00 C ATOM 1323 CD PRO A 91 -15.250 17.472 5.506 1.00 0.00 C ATOM 0 HA PRO A 91 -14.661 15.936 8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -17.149 17.132 8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -15.677 18.014 8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -17.275 17.997 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -16.075 19.161 6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.724 17.108 4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.494 18.197 5.204 1.00 0.00 H new ATOM 1331 N SER A 92 -16.888 14.572 8.536 1.00 0.00 N ATOM 1332 CA SER A 92 -17.745 13.400 8.596 1.00 0.00 C ATOM 1333 C SER A 92 -19.189 13.792 8.276 1.00 0.00 C ATOM 1334 O SER A 92 -19.525 14.975 8.256 1.00 0.00 O ATOM 1335 CB SER A 92 -17.669 12.732 9.970 1.00 0.00 C ATOM 1336 OG SER A 92 -17.348 11.347 9.873 1.00 0.00 O ATOM 0 H SER A 92 -16.865 15.128 9.391 1.00 0.00 H new ATOM 0 HA SER A 92 -17.396 12.682 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.918 13.237 10.577 1.00 0.00 H new ATOM 0 HB3 SER A 92 -18.624 12.848 10.483 1.00 0.00 H new ATOM 0 HG SER A 92 -17.307 10.957 10.771 1.00 0.00 H new ATOM 1342 N SER A 93 -20.004 12.776 8.033 1.00 0.00 N ATOM 1343 CA SER A 93 -21.404 12.999 7.715 1.00 0.00 C ATOM 1344 C SER A 93 -22.251 12.909 8.986 1.00 0.00 C ATOM 1345 O SER A 93 -22.149 11.940 9.737 1.00 0.00 O ATOM 1346 CB SER A 93 -21.900 11.992 6.675 1.00 0.00 C ATOM 1347 OG SER A 93 -23.086 12.438 6.024 1.00 0.00 O ATOM 0 H SER A 93 -19.721 11.796 8.050 1.00 0.00 H new ATOM 0 HA SER A 93 -21.503 13.998 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 93 -21.120 11.824 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 93 -22.091 11.034 7.160 1.00 0.00 H new ATOM 0 HG SER A 93 -23.370 11.769 5.367 1.00 0.00 H new ATOM 1353 N GLY A 94 -23.067 13.932 9.189 1.00 0.00 N ATOM 1354 CA GLY A 94 -23.931 13.981 10.356 1.00 0.00 C ATOM 1355 C GLY A 94 -24.879 12.780 10.387 1.00 0.00 C ATOM 1356 O GLY A 94 -25.690 12.649 11.303 1.00 0.00 O ATOM 0 H GLY A 94 -23.148 14.734 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -23.325 13.994 11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -24.509 14.905 10.346 1.00 0.00 H new TER 1360 GLY A 94