USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 993 hydrogens (21 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: B 47 ASN : amide:sc= -0.0869 X(o=-3.5,f=-3.5) USER MOD Set 1.2: C 48 GLN :FLIP amide:sc= -3.36! C(o=-8.7!,f=-3.5!) USER MOD Single : A 23 SER OG : rot 13:sc= 0.784 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0935 USER MOD Single : A 37 HIS : no HD1:sc= -6.35! C(o=-6.3!,f=-7.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS :FLIP no HE2:sc= -0.271 F(o=-0.78,f=-0.27) USER MOD Single : A 47 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.8!) USER MOD Single : A 48 GLN : amide:sc= -2.15! C(o=-2.2!,f=-3!) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= -0.137 (180deg=-0.738) USER MOD Single : B 23 SER OG : rot 35:sc= 0.0137 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HE2:sc= -0.475 K(o=-0.47,f=-2.1!) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -3.09 K(o=-3.1,f=-3.9!) USER MOD Single : B 48 GLN :FLIP amide:sc= -5.12! C(o=-6.5!,f=-5.1!) USER MOD Single : B 50 LYS NZ :NH3+ 173:sc= -1.27 (180deg=-1.52) USER MOD Single : C 23 SER OG : rot -40:sc= 0.768 USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -8.44! C(o=-8.4!,f=-12!) USER MOD Single : C 42 THR OG1 : rot 180:sc= 0 USER MOD Single : C 45 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=-0.37) USER MOD Single : C 47 ASN : amide:sc= -0.447 K(o=-0.45,f=-2.3!) USER MOD Single : C 50 LYS NZ :NH3+ 155:sc= -10.6! (180deg=-12.6!) USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -6.69! C(o=-6.7!,f=-10!) USER MOD Single : D 42 THR OG1 : rot -69:sc= 1.15 USER MOD Single : D 45 HIS : no HD1:sc= -0.252 K(o=-0.25,f=-0.92) USER MOD Single : D 47 ASN : amide:sc= -0.0802 K(o=-0.08,f=-1.2) USER MOD Single : D 48 GLN : amide:sc= -7.96! C(o=-8!,f=-15!) USER MOD Single : D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 23 76.671 2.474 6.238 1.00 0.00 N ATOM 2 CA SER A 23 78.081 2.485 6.721 1.00 0.00 C ATOM 3 C SER A 23 78.950 3.253 5.729 1.00 0.00 C ATOM 4 O SER A 23 80.176 3.180 5.785 1.00 0.00 O ATOM 5 CB SER A 23 78.582 1.044 6.849 1.00 0.00 C ATOM 6 OG SER A 23 80.004 1.039 6.845 1.00 0.00 O ATOM 0 HA SER A 23 78.135 2.972 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 23 78.208 0.597 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 23 78.202 0.440 6.025 1.00 0.00 H new ATOM 0 HG SER A 23 80.335 1.953 6.966 1.00 0.00 H new ATOM 11 N ASP A 24 78.309 3.956 4.829 1.00 0.00 N ATOM 12 CA ASP A 24 79.013 4.726 3.805 1.00 0.00 C ATOM 13 C ASP A 24 79.494 3.790 2.701 1.00 0.00 C ATOM 14 O ASP A 24 80.687 3.733 2.401 1.00 0.00 O ATOM 15 CB ASP A 24 80.209 5.482 4.412 1.00 0.00 C ATOM 16 CG ASP A 24 79.869 5.958 5.821 1.00 0.00 C ATOM 17 OD1 ASP A 24 79.158 6.941 5.938 1.00 0.00 O ATOM 18 OD2 ASP A 24 80.325 5.331 6.764 1.00 0.00 O ATOM 0 H ASP A 24 77.292 4.018 4.776 1.00 0.00 H new ATOM 0 HA ASP A 24 78.324 5.459 3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 24 81.083 4.832 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 24 80.467 6.335 3.784 1.00 0.00 H new ATOM 23 N PRO A 25 78.595 3.047 2.106 1.00 0.00 N ATOM 24 CA PRO A 25 78.948 2.082 1.025 1.00 0.00 C ATOM 25 C PRO A 25 79.622 2.768 -0.165 1.00 0.00 C ATOM 26 O PRO A 25 79.918 2.130 -1.167 1.00 0.00 O ATOM 27 CB PRO A 25 77.600 1.438 0.632 1.00 0.00 C ATOM 28 CG PRO A 25 76.542 2.353 1.172 1.00 0.00 C ATOM 29 CD PRO A 25 77.150 3.042 2.394 1.00 0.00 C ATOM 0 HA PRO A 25 79.676 1.343 1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 25 77.515 1.336 -0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 25 77.506 0.438 1.055 1.00 0.00 H new ATOM 0 HG2 PRO A 25 76.242 3.085 0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.648 1.793 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 25 76.762 4.053 2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 25 76.926 2.500 3.313 1.00 0.00 H new ATOM 37 N LEU A 26 79.856 4.044 -0.057 1.00 0.00 N ATOM 38 CA LEU A 26 80.497 4.776 -1.148 1.00 0.00 C ATOM 39 C LEU A 26 81.900 4.233 -1.417 1.00 0.00 C ATOM 40 O LEU A 26 82.388 4.286 -2.546 1.00 0.00 O ATOM 41 CB LEU A 26 80.584 6.266 -0.806 1.00 0.00 C ATOM 42 CG LEU A 26 79.173 6.881 -0.757 1.00 0.00 C ATOM 43 CD1 LEU A 26 79.250 8.330 -0.230 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.522 6.839 -2.161 1.00 0.00 C ATOM 0 H LEU A 26 79.621 4.608 0.760 1.00 0.00 H new ATOM 0 HA LEU A 26 79.891 4.644 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 26 81.080 6.398 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 26 81.189 6.783 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 26 78.552 6.298 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 78.249 8.759 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 26 79.677 8.330 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 26 79.879 8.925 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 26 77.525 7.277 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 26 79.134 7.406 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 26 78.448 5.805 -2.497 1.00 0.00 H new ATOM 56 N VAL A 27 82.534 3.723 -0.395 1.00 0.00 N ATOM 57 CA VAL A 27 83.883 3.178 -0.537 1.00 0.00 C ATOM 58 C VAL A 27 83.895 1.989 -1.490 1.00 0.00 C ATOM 59 O VAL A 27 84.820 1.830 -2.287 1.00 0.00 O ATOM 60 CB VAL A 27 84.411 2.717 0.831 1.00 0.00 C ATOM 61 CG1 VAL A 27 85.868 2.260 0.700 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.329 3.865 1.838 1.00 0.00 C ATOM 0 H VAL A 27 82.150 3.668 0.548 1.00 0.00 H new ATOM 0 HA VAL A 27 84.519 3.966 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 27 83.799 1.886 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 27 86.236 1.935 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 27 85.927 1.432 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 27 86.478 3.088 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 27 84.705 3.529 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 27 84.931 4.702 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 27 83.292 4.183 1.943 1.00 0.00 H new ATOM 72 N VAL A 28 82.893 1.161 -1.394 1.00 0.00 N ATOM 73 CA VAL A 28 82.813 -0.023 -2.242 1.00 0.00 C ATOM 74 C VAL A 28 82.476 0.323 -3.701 1.00 0.00 C ATOM 75 O VAL A 28 82.916 -0.375 -4.613 1.00 0.00 O ATOM 76 CB VAL A 28 81.788 -1.032 -1.658 1.00 0.00 C ATOM 77 CG1 VAL A 28 80.383 -0.812 -2.249 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.239 -2.471 -1.960 1.00 0.00 C ATOM 0 H VAL A 28 82.116 1.272 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 28 83.800 -0.486 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 28 81.742 -0.871 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 28 79.690 -1.535 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 28 80.045 0.198 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 28 80.419 -0.943 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.515 -3.173 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 28 82.307 -2.612 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 28 83.215 -2.649 -1.508 1.00 0.00 H new ATOM 88 N ALA A 29 81.679 1.342 -3.926 1.00 0.00 N ATOM 89 CA ALA A 29 81.276 1.684 -5.291 1.00 0.00 C ATOM 90 C ALA A 29 82.460 2.013 -6.196 1.00 0.00 C ATOM 91 O ALA A 29 82.588 1.429 -7.271 1.00 0.00 O ATOM 92 CB ALA A 29 80.321 2.878 -5.260 1.00 0.00 C ATOM 0 H ALA A 29 81.296 1.947 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 29 80.784 0.804 -5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 29 80.022 3.131 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 29 79.438 2.622 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 29 80.822 3.733 -4.806 1.00 0.00 H new ATOM 98 N ALA A 30 83.309 2.923 -5.798 1.00 0.00 N ATOM 99 CA ALA A 30 84.438 3.264 -6.637 1.00 0.00 C ATOM 100 C ALA A 30 85.261 2.017 -6.908 1.00 0.00 C ATOM 101 O ALA A 30 85.572 1.683 -8.051 1.00 0.00 O ATOM 102 CB ALA A 30 85.285 4.276 -5.904 1.00 0.00 C ATOM 0 H ALA A 30 83.248 3.435 -4.918 1.00 0.00 H new ATOM 0 HA ALA A 30 84.093 3.677 -7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 30 86.143 4.547 -6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.691 5.166 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 30 85.634 3.847 -4.965 1.00 0.00 H new ATOM 108 N SER A 31 85.580 1.343 -5.846 1.00 0.00 N ATOM 109 CA SER A 31 86.350 0.113 -5.933 1.00 0.00 C ATOM 110 C SER A 31 85.711 -0.842 -6.947 1.00 0.00 C ATOM 111 O SER A 31 86.395 -1.387 -7.813 1.00 0.00 O ATOM 112 CB SER A 31 86.400 -0.551 -4.561 1.00 0.00 C ATOM 113 OG SER A 31 87.175 -1.739 -4.639 1.00 0.00 O ATOM 0 H SER A 31 85.323 1.616 -4.897 1.00 0.00 H new ATOM 0 HA SER A 31 87.362 0.348 -6.263 1.00 0.00 H new ATOM 0 HB2 SER A 31 86.834 0.132 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 31 85.391 -0.784 -4.221 1.00 0.00 H new ATOM 0 HG SER A 31 87.209 -2.166 -3.757 1.00 0.00 H new ATOM 119 N ILE A 32 84.425 -1.049 -6.820 1.00 0.00 N ATOM 120 CA ILE A 32 83.709 -1.958 -7.717 1.00 0.00 C ATOM 121 C ILE A 32 84.029 -1.650 -9.185 1.00 0.00 C ATOM 122 O ILE A 32 84.383 -2.555 -9.940 1.00 0.00 O ATOM 123 CB ILE A 32 82.185 -1.870 -7.446 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.835 -2.753 -6.236 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.384 -2.353 -8.665 1.00 0.00 C ATOM 126 CD1 ILE A 32 80.391 -2.495 -5.800 1.00 0.00 C ATOM 0 H ILE A 32 83.842 -0.607 -6.109 1.00 0.00 H new ATOM 0 HA ILE A 32 84.040 -2.978 -7.520 1.00 0.00 H new ATOM 0 HB ILE A 32 81.927 -0.830 -7.246 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.964 -3.804 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 32 82.516 -2.541 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 32 80.318 -2.282 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.623 -1.731 -9.527 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.642 -3.389 -8.883 1.00 0.00 H new ATOM 0 HD11 ILE A 32 80.152 -3.124 -4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 32 80.276 -1.447 -5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.715 -2.730 -6.622 1.00 0.00 H new ATOM 138 N ILE A 33 83.920 -0.411 -9.588 1.00 0.00 N ATOM 139 CA ILE A 33 84.222 -0.068 -10.977 1.00 0.00 C ATOM 140 C ILE A 33 85.666 -0.460 -11.283 1.00 0.00 C ATOM 141 O ILE A 33 85.962 -1.043 -12.326 1.00 0.00 O ATOM 142 CB ILE A 33 84.028 1.438 -11.224 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.540 1.795 -11.101 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.519 1.790 -12.633 1.00 0.00 C ATOM 145 CD1 ILE A 33 82.363 3.320 -11.140 1.00 0.00 C ATOM 0 H ILE A 33 83.632 0.371 -8.999 1.00 0.00 H new ATOM 0 HA ILE A 33 83.540 -0.610 -11.632 1.00 0.00 H new ATOM 0 HB ILE A 33 84.598 2.001 -10.485 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.978 1.334 -11.913 1.00 0.00 H new ATOM 0 HG13 ILE A 33 82.137 1.397 -10.169 1.00 0.00 H new ATOM 0 HG21 ILE A 33 84.382 2.857 -12.810 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.576 1.540 -12.723 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.948 1.224 -13.369 1.00 0.00 H new ATOM 0 HD11 ILE A 33 81.305 3.566 -11.052 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.910 3.771 -10.312 1.00 0.00 H new ATOM 0 HD13 ILE A 33 82.748 3.707 -12.083 1.00 0.00 H new ATOM 157 N GLY A 34 86.539 -0.115 -10.381 1.00 0.00 N ATOM 158 CA GLY A 34 87.962 -0.400 -10.543 1.00 0.00 C ATOM 159 C GLY A 34 88.209 -1.854 -10.952 1.00 0.00 C ATOM 160 O GLY A 34 88.944 -2.118 -11.901 1.00 0.00 O ATOM 0 H GLY A 34 86.302 0.368 -9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.382 0.266 -11.297 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.483 -0.192 -9.608 1.00 0.00 H new ATOM 164 N ILE A 35 87.614 -2.778 -10.248 1.00 0.00 N ATOM 165 CA ILE A 35 87.799 -4.195 -10.563 1.00 0.00 C ATOM 166 C ILE A 35 87.110 -4.560 -11.876 1.00 0.00 C ATOM 167 O ILE A 35 87.538 -5.471 -12.583 1.00 0.00 O ATOM 168 CB ILE A 35 87.229 -5.064 -9.439 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.791 -4.594 -8.098 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.628 -6.525 -9.669 1.00 0.00 C ATOM 171 CD1 ILE A 35 87.163 -5.407 -6.964 1.00 0.00 C ATOM 0 H ILE A 35 86.999 -2.592 -9.456 1.00 0.00 H new ATOM 0 HA ILE A 35 88.869 -4.377 -10.664 1.00 0.00 H new ATOM 0 HB ILE A 35 86.142 -4.979 -9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 35 88.875 -4.711 -8.086 1.00 0.00 H new ATOM 0 HG13 ILE A 35 87.583 -3.533 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 35 87.222 -7.143 -8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 35 87.232 -6.864 -10.626 1.00 0.00 H new ATOM 0 HG23 ILE A 35 88.715 -6.609 -9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 35 87.565 -5.070 -6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 35 86.082 -5.268 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 35 87.394 -6.463 -7.103 1.00 0.00 H new ATOM 183 N LEU A 36 86.050 -3.865 -12.174 1.00 0.00 N ATOM 184 CA LEU A 36 85.282 -4.121 -13.388 1.00 0.00 C ATOM 185 C LEU A 36 86.119 -3.908 -14.651 1.00 0.00 C ATOM 186 O LEU A 36 85.917 -4.589 -15.657 1.00 0.00 O ATOM 187 CB LEU A 36 84.065 -3.187 -13.422 1.00 0.00 C ATOM 188 CG LEU A 36 83.012 -3.706 -14.425 1.00 0.00 C ATOM 189 CD1 LEU A 36 82.106 -4.749 -13.755 1.00 0.00 C ATOM 190 CD2 LEU A 36 82.148 -2.537 -14.913 1.00 0.00 C ATOM 0 H LEU A 36 85.685 -3.108 -11.596 1.00 0.00 H new ATOM 0 HA LEU A 36 84.965 -5.164 -13.370 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.625 -3.117 -12.427 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.379 -2.182 -13.703 1.00 0.00 H new ATOM 0 HG LEU A 36 83.529 -4.166 -15.267 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.369 -5.106 -14.474 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.711 -5.587 -13.409 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.595 -4.295 -12.906 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.405 -2.904 -15.621 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.643 -2.078 -14.063 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.781 -1.797 -15.403 1.00 0.00 H new ATOM 202 N HIS A 37 87.027 -2.972 -14.604 1.00 0.00 N ATOM 203 CA HIS A 37 87.866 -2.677 -15.765 1.00 0.00 C ATOM 204 C HIS A 37 88.903 -3.779 -16.034 1.00 0.00 C ATOM 205 O HIS A 37 89.319 -3.976 -17.174 1.00 0.00 O ATOM 206 CB HIS A 37 88.552 -1.303 -15.584 1.00 0.00 C ATOM 207 CG HIS A 37 89.879 -1.434 -14.870 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.915 -2.213 -15.364 1.00 0.00 N ATOM 209 CD2 HIS A 37 90.355 -0.874 -13.711 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.950 -2.103 -14.512 1.00 0.00 C ATOM 211 NE2 HIS A 37 91.661 -1.299 -13.486 1.00 0.00 N ATOM 0 H HIS A 37 87.215 -2.395 -13.784 1.00 0.00 H new ATOM 0 HA HIS A 37 87.218 -2.641 -16.641 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.707 -0.841 -16.559 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.897 -0.640 -15.018 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.800 -0.205 -13.070 1.00 0.00 H new ATOM 0 HE1 HIS A 37 92.898 -2.603 -14.642 1.00 0.00 H new ATOM 0 HE2 HIS A 37 92.267 -1.050 -12.705 1.00 0.00 H new ATOM 220 N PHE A 38 89.340 -4.450 -15.001 1.00 0.00 N ATOM 221 CA PHE A 38 90.363 -5.485 -15.163 1.00 0.00 C ATOM 222 C PHE A 38 89.952 -6.534 -16.197 1.00 0.00 C ATOM 223 O PHE A 38 90.718 -6.837 -17.111 1.00 0.00 O ATOM 224 CB PHE A 38 90.641 -6.163 -13.820 1.00 0.00 C ATOM 225 CG PHE A 38 91.778 -7.145 -13.981 1.00 0.00 C ATOM 226 CD1 PHE A 38 93.099 -6.684 -14.023 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.513 -8.517 -14.091 1.00 0.00 C ATOM 228 CE1 PHE A 38 94.154 -7.592 -14.175 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.568 -9.424 -14.243 1.00 0.00 C ATOM 230 CZ PHE A 38 93.889 -8.961 -14.285 1.00 0.00 C ATOM 0 H PHE A 38 89.017 -4.311 -14.043 1.00 0.00 H new ATOM 0 HA PHE A 38 91.269 -4.998 -15.523 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.895 -5.416 -13.068 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.747 -6.678 -13.468 1.00 0.00 H new ATOM 0 HD1 PHE A 38 93.305 -5.627 -13.938 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.494 -8.874 -14.058 1.00 0.00 H new ATOM 0 HE1 PHE A 38 95.173 -7.235 -14.207 1.00 0.00 H new ATOM 0 HE2 PHE A 38 92.363 -10.481 -14.328 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.703 -9.661 -14.402 1.00 0.00 H new ATOM 240 N ILE A 39 88.776 -7.084 -16.057 1.00 0.00 N ATOM 241 CA ILE A 39 88.316 -8.100 -17.002 1.00 0.00 C ATOM 242 C ILE A 39 88.373 -7.553 -18.428 1.00 0.00 C ATOM 243 O ILE A 39 88.633 -8.291 -19.375 1.00 0.00 O ATOM 244 CB ILE A 39 86.878 -8.539 -16.668 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.869 -9.364 -15.371 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.318 -9.405 -17.803 1.00 0.00 C ATOM 247 CD1 ILE A 39 87.160 -8.469 -14.161 1.00 0.00 C ATOM 0 H ILE A 39 88.117 -6.859 -15.312 1.00 0.00 H new ATOM 0 HA ILE A 39 88.972 -8.967 -16.923 1.00 0.00 H new ATOM 0 HB ILE A 39 86.263 -7.647 -16.544 1.00 0.00 H new ATOM 0 HG12 ILE A 39 85.900 -9.848 -15.248 1.00 0.00 H new ATOM 0 HG13 ILE A 39 87.615 -10.156 -15.432 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.301 -9.711 -17.559 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.312 -8.831 -18.730 1.00 0.00 H new ATOM 0 HG23 ILE A 39 86.943 -10.289 -17.928 1.00 0.00 H new ATOM 0 HD11 ILE A 39 87.149 -9.071 -13.252 1.00 0.00 H new ATOM 0 HD12 ILE A 39 88.140 -8.006 -14.278 1.00 0.00 H new ATOM 0 HD13 ILE A 39 86.398 -7.693 -14.091 1.00 0.00 H new ATOM 259 N ALA A 40 88.144 -6.280 -18.562 1.00 0.00 N ATOM 260 CA ALA A 40 88.188 -5.644 -19.871 1.00 0.00 C ATOM 261 C ALA A 40 89.627 -5.513 -20.364 1.00 0.00 C ATOM 262 O ALA A 40 89.881 -5.473 -21.563 1.00 0.00 O ATOM 263 CB ALA A 40 87.535 -4.262 -19.808 1.00 0.00 C ATOM 0 H ALA A 40 87.924 -5.651 -17.789 1.00 0.00 H new ATOM 0 HA ALA A 40 87.637 -6.271 -20.572 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.574 -3.796 -20.793 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.496 -4.365 -19.496 1.00 0.00 H new ATOM 0 HB3 ALA A 40 88.070 -3.639 -19.091 1.00 0.00 H new ATOM 269 N TRP A 41 90.541 -5.386 -19.446 1.00 0.00 N ATOM 270 CA TRP A 41 91.944 -5.195 -19.785 1.00 0.00 C ATOM 271 C TRP A 41 92.510 -6.340 -20.629 1.00 0.00 C ATOM 272 O TRP A 41 93.146 -6.108 -21.658 1.00 0.00 O ATOM 273 CB TRP A 41 92.738 -5.083 -18.483 1.00 0.00 C ATOM 274 CG TRP A 41 94.105 -4.563 -18.767 1.00 0.00 C ATOM 275 CD1 TRP A 41 95.057 -5.226 -19.458 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.690 -3.290 -18.372 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.190 -4.430 -19.529 1.00 0.00 N ATOM 278 CE2 TRP A 41 96.010 -3.226 -18.869 1.00 0.00 C ATOM 279 CE3 TRP A 41 94.203 -2.193 -17.637 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.821 -2.110 -18.648 1.00 0.00 C ATOM 281 CZ3 TRP A 41 95.017 -1.071 -17.410 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.324 -1.031 -17.916 1.00 0.00 C ATOM 0 H TRP A 41 90.349 -5.410 -18.444 1.00 0.00 H new ATOM 0 HA TRP A 41 92.028 -4.289 -20.385 1.00 0.00 H new ATOM 0 HB2 TRP A 41 92.223 -4.419 -17.789 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.803 -6.059 -18.001 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.953 -6.213 -19.885 1.00 0.00 H new ATOM 0 HE1 TRP A 41 97.050 -4.698 -20.008 1.00 0.00 H new ATOM 0 HE3 TRP A 41 93.197 -2.214 -17.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.826 -2.083 -19.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.634 -0.235 -16.843 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.946 -0.166 -17.739 1.00 0.00 H new ATOM 293 N THR A 42 92.317 -7.541 -20.175 1.00 0.00 N ATOM 294 CA THR A 42 92.849 -8.719 -20.862 1.00 0.00 C ATOM 295 C THR A 42 92.530 -8.739 -22.361 1.00 0.00 C ATOM 296 O THR A 42 93.398 -9.073 -23.167 1.00 0.00 O ATOM 297 CB THR A 42 92.294 -9.991 -20.211 1.00 0.00 C ATOM 298 OG1 THR A 42 92.341 -11.060 -21.146 1.00 0.00 O ATOM 299 CG2 THR A 42 90.849 -9.751 -19.788 1.00 0.00 C ATOM 0 H THR A 42 91.793 -7.750 -19.326 1.00 0.00 H new ATOM 0 HA THR A 42 93.934 -8.675 -20.764 1.00 0.00 H new ATOM 0 HB THR A 42 92.894 -10.246 -19.337 1.00 0.00 H new ATOM 0 HG1 THR A 42 91.988 -11.874 -20.730 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.451 -10.654 -19.325 1.00 0.00 H new ATOM 0 HG22 THR A 42 90.811 -8.929 -19.073 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.251 -9.499 -20.663 1.00 0.00 H new ATOM 307 N ILE A 43 91.318 -8.422 -22.740 1.00 0.00 N ATOM 308 CA ILE A 43 90.964 -8.461 -24.162 1.00 0.00 C ATOM 309 C ILE A 43 91.724 -7.400 -24.969 1.00 0.00 C ATOM 310 O ILE A 43 92.228 -7.690 -26.054 1.00 0.00 O ATOM 311 CB ILE A 43 89.449 -8.301 -24.356 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.930 -7.113 -23.548 1.00 0.00 C ATOM 313 CG2 ILE A 43 88.739 -9.573 -23.884 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.499 -6.787 -23.979 1.00 0.00 C ATOM 0 H ILE A 43 90.566 -8.139 -22.112 1.00 0.00 H new ATOM 0 HA ILE A 43 91.261 -9.439 -24.540 1.00 0.00 H new ATOM 0 HB ILE A 43 89.248 -8.129 -25.413 1.00 0.00 H new ATOM 0 HG12 ILE A 43 88.956 -7.345 -22.483 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.573 -6.247 -23.702 1.00 0.00 H new ATOM 0 HG21 ILE A 43 87.663 -9.461 -24.021 1.00 0.00 H new ATOM 0 HG22 ILE A 43 89.092 -10.424 -24.466 1.00 0.00 H new ATOM 0 HG23 ILE A 43 88.955 -9.740 -22.829 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.129 -5.939 -23.402 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.487 -6.537 -25.040 1.00 0.00 H new ATOM 0 HD13 ILE A 43 86.860 -7.652 -23.803 1.00 0.00 H new ATOM 326 N GLY A 44 91.806 -6.202 -24.453 1.00 0.00 N ATOM 327 CA GLY A 44 92.511 -5.123 -25.150 1.00 0.00 C ATOM 328 C GLY A 44 93.990 -5.456 -25.319 1.00 0.00 C ATOM 329 O GLY A 44 94.639 -5.015 -26.269 1.00 0.00 O ATOM 0 H GLY A 44 91.400 -5.935 -23.556 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.057 -4.959 -26.128 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.405 -4.194 -24.590 1.00 0.00 H new ATOM 333 N HIS A 45 94.500 -6.220 -24.401 1.00 0.00 N ATOM 334 CA HIS A 45 95.898 -6.615 -24.427 1.00 0.00 C ATOM 335 C HIS A 45 96.284 -7.138 -25.811 1.00 0.00 C ATOM 336 O HIS A 45 97.457 -7.126 -26.183 1.00 0.00 O ATOM 337 CB HIS A 45 96.152 -7.692 -23.375 1.00 0.00 C ATOM 338 CG HIS A 45 97.635 -7.899 -23.227 1.00 0.00 C ATOM 339 ND1 HIS A 45 98.655 -7.027 -22.941 1.00 0.00 N flip ATOM 340 CD2 HIS A 45 98.230 -9.141 -23.384 1.00 0.00 C flip ATOM 341 CE1 HIS A 45 99.866 -7.713 -22.919 1.00 0.00 C flip ATOM 342 NE2 HIS A 45 99.554 -8.982 -23.192 1.00 0.00 N flip ATOM 0 H HIS A 45 93.972 -6.592 -23.612 1.00 0.00 H new ATOM 0 HA HIS A 45 96.510 -5.741 -24.204 1.00 0.00 H new ATOM 0 HB2 HIS A 45 95.717 -7.395 -22.421 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.670 -8.625 -23.668 1.00 0.00 H new ATOM 0 HD1 HIS A 45 98.543 -6.028 -22.770 1.00 0.00 H new ATOM 0 HD2 HIS A 45 97.725 -10.067 -23.617 1.00 0.00 H new ATOM 0 HE1 HIS A 45 100.847 -7.306 -22.723 1.00 0.00 H new ATOM 351 N LEU A 46 95.317 -7.649 -26.522 1.00 0.00 N ATOM 352 CA LEU A 46 95.570 -8.250 -27.830 1.00 0.00 C ATOM 353 C LEU A 46 96.517 -7.398 -28.680 1.00 0.00 C ATOM 354 O LEU A 46 97.284 -7.948 -29.473 1.00 0.00 O ATOM 355 CB LEU A 46 94.229 -8.468 -28.570 1.00 0.00 C ATOM 356 CG LEU A 46 93.734 -7.156 -29.251 1.00 0.00 C ATOM 357 CD1 LEU A 46 94.184 -7.109 -30.727 1.00 0.00 C ATOM 358 CD2 LEU A 46 92.195 -7.073 -29.191 1.00 0.00 C ATOM 0 H LEU A 46 94.340 -7.668 -26.229 1.00 0.00 H new ATOM 0 HA LEU A 46 96.060 -9.210 -27.669 1.00 0.00 H new ATOM 0 HB2 LEU A 46 94.350 -9.247 -29.323 1.00 0.00 H new ATOM 0 HB3 LEU A 46 93.476 -8.820 -27.865 1.00 0.00 H new ATOM 0 HG LEU A 46 94.168 -6.311 -28.715 1.00 0.00 H new ATOM 0 HD11 LEU A 46 93.829 -6.186 -31.186 1.00 0.00 H new ATOM 0 HD12 LEU A 46 95.272 -7.144 -30.777 1.00 0.00 H new ATOM 0 HD13 LEU A 46 93.768 -7.963 -31.261 1.00 0.00 H new ATOM 0 HD21 LEU A 46 91.861 -6.152 -29.670 1.00 0.00 H new ATOM 0 HD22 LEU A 46 91.764 -7.929 -29.710 1.00 0.00 H new ATOM 0 HD23 LEU A 46 91.871 -7.079 -28.150 1.00 0.00 H new ATOM 370 N ASN A 47 96.495 -6.102 -28.533 1.00 0.00 N ATOM 371 CA ASN A 47 97.404 -5.275 -29.329 1.00 0.00 C ATOM 372 C ASN A 47 98.850 -5.706 -29.075 1.00 0.00 C ATOM 373 O ASN A 47 99.605 -5.969 -30.012 1.00 0.00 O ATOM 374 CB ASN A 47 97.245 -3.798 -28.965 1.00 0.00 C ATOM 375 CG ASN A 47 95.818 -3.338 -29.235 1.00 0.00 C ATOM 376 OD1 ASN A 47 95.009 -4.096 -29.768 1.00 0.00 O ATOM 377 ND2 ASN A 47 95.459 -2.128 -28.901 1.00 0.00 N ATOM 0 H ASN A 47 95.884 -5.594 -27.894 1.00 0.00 H new ATOM 0 HA ASN A 47 97.159 -5.408 -30.383 1.00 0.00 H new ATOM 0 HB2 ASN A 47 97.490 -3.647 -27.914 1.00 0.00 H new ATOM 0 HB3 ASN A 47 97.944 -3.196 -29.545 1.00 0.00 H new ATOM 0 HD21 ASN A 47 94.507 -1.810 -29.082 1.00 0.00 H new ATOM 0 HD22 ASN A 47 96.131 -1.500 -28.459 1.00 0.00 H new ATOM 384 N GLN A 48 99.216 -5.771 -27.823 1.00 0.00 N ATOM 385 CA GLN A 48 100.570 -6.168 -27.447 1.00 0.00 C ATOM 386 C GLN A 48 100.949 -7.479 -28.132 1.00 0.00 C ATOM 387 O GLN A 48 101.929 -7.541 -28.874 1.00 0.00 O ATOM 388 CB GLN A 48 100.668 -6.327 -25.923 1.00 0.00 C ATOM 389 CG GLN A 48 102.132 -6.220 -25.477 1.00 0.00 C ATOM 390 CD GLN A 48 102.951 -7.353 -26.086 1.00 0.00 C ATOM 391 OE1 GLN A 48 102.639 -8.526 -25.882 1.00 0.00 O ATOM 392 NE2 GLN A 48 103.989 -7.071 -26.826 1.00 0.00 N ATOM 0 H GLN A 48 98.603 -5.556 -27.036 1.00 0.00 H new ATOM 0 HA GLN A 48 101.263 -5.391 -27.770 1.00 0.00 H new ATOM 0 HB2 GLN A 48 100.072 -5.559 -25.430 1.00 0.00 H new ATOM 0 HB3 GLN A 48 100.257 -7.291 -25.623 1.00 0.00 H new ATOM 0 HG2 GLN A 48 102.544 -5.258 -25.783 1.00 0.00 H new ATOM 0 HG3 GLN A 48 102.193 -6.261 -24.389 1.00 0.00 H new ATOM 0 HE21 GLN A 48 104.246 -6.098 -26.994 1.00 0.00 H new ATOM 0 HE22 GLN A 48 104.543 -7.823 -27.236 1.00 0.00 H new ATOM 401 N ILE A 49 100.186 -8.507 -27.876 1.00 0.00 N ATOM 402 CA ILE A 49 100.456 -9.814 -28.465 1.00 0.00 C ATOM 403 C ILE A 49 100.706 -9.687 -29.966 1.00 0.00 C ATOM 404 O ILE A 49 101.698 -10.199 -30.484 1.00 0.00 O ATOM 405 CB ILE A 49 99.265 -10.748 -28.227 1.00 0.00 C ATOM 406 CG1 ILE A 49 98.876 -10.730 -26.742 1.00 0.00 C ATOM 407 CG2 ILE A 49 99.637 -12.173 -28.643 1.00 0.00 C ATOM 408 CD1 ILE A 49 100.100 -11.015 -25.862 1.00 0.00 C ATOM 0 H ILE A 49 99.370 -8.477 -27.265 1.00 0.00 H new ATOM 0 HA ILE A 49 101.347 -10.226 -27.992 1.00 0.00 H new ATOM 0 HB ILE A 49 98.419 -10.406 -28.823 1.00 0.00 H new ATOM 0 HG12 ILE A 49 98.452 -9.760 -26.483 1.00 0.00 H new ATOM 0 HG13 ILE A 49 98.104 -11.476 -26.553 1.00 0.00 H new ATOM 0 HG21 ILE A 49 98.788 -12.835 -28.473 1.00 0.00 H new ATOM 0 HG22 ILE A 49 99.901 -12.186 -29.700 1.00 0.00 H new ATOM 0 HG23 ILE A 49 100.487 -12.514 -28.053 1.00 0.00 H new ATOM 0 HD11 ILE A 49 99.806 -10.998 -24.813 1.00 0.00 H new ATOM 0 HD12 ILE A 49 100.506 -11.996 -26.109 1.00 0.00 H new ATOM 0 HD13 ILE A 49 100.860 -10.253 -26.038 1.00 0.00 H new ATOM 420 N LYS A 50 99.815 -9.019 -30.646 1.00 0.00 N ATOM 421 CA LYS A 50 99.951 -8.840 -32.087 1.00 0.00 C ATOM 422 C LYS A 50 101.105 -7.885 -32.399 1.00 0.00 C ATOM 423 O LYS A 50 102.152 -8.304 -32.891 1.00 0.00 O ATOM 424 CB LYS A 50 98.635 -8.297 -32.674 1.00 0.00 C ATOM 425 CG LYS A 50 98.475 -8.746 -34.134 1.00 0.00 C ATOM 426 CD LYS A 50 99.633 -8.201 -34.974 1.00 0.00 C ATOM 427 CE LYS A 50 99.286 -8.322 -36.461 1.00 0.00 C ATOM 428 NZ LYS A 50 98.163 -7.398 -36.786 1.00 0.00 N ATOM 0 H LYS A 50 98.986 -8.587 -30.238 1.00 0.00 H new ATOM 0 HA LYS A 50 100.170 -9.806 -32.543 1.00 0.00 H new ATOM 0 HB2 LYS A 50 97.791 -8.653 -32.083 1.00 0.00 H new ATOM 0 HB3 LYS A 50 98.626 -7.208 -32.618 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.454 -9.834 -34.189 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.525 -8.389 -34.532 1.00 0.00 H new ATOM 0 HD2 LYS A 50 99.823 -7.159 -34.718 1.00 0.00 H new ATOM 0 HD3 LYS A 50 100.546 -8.755 -34.756 1.00 0.00 H new ATOM 0 HE2 LYS A 50 100.157 -8.080 -37.070 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.006 -9.349 -36.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.236 -7.099 -37.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.257 -7.887 -36.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.211 -6.563 -36.168 1.00 0.00 H new ATOM 442 N ARG A 51 100.908 -6.626 -32.114 1.00 0.00 N ATOM 443 CA ARG A 51 101.940 -5.625 -32.370 1.00 0.00 C ATOM 444 C ARG A 51 103.028 -5.693 -31.302 1.00 0.00 C ATOM 445 O ARG A 51 102.746 -5.599 -30.108 1.00 0.00 O ATOM 446 CB ARG A 51 101.318 -4.227 -32.380 1.00 0.00 C ATOM 447 CG ARG A 51 102.323 -3.223 -32.952 1.00 0.00 C ATOM 448 CD ARG A 51 101.662 -1.848 -33.065 1.00 0.00 C ATOM 449 NE ARG A 51 102.550 -0.915 -33.750 1.00 0.00 N ATOM 450 CZ ARG A 51 102.169 0.303 -34.022 1.00 0.00 C ATOM 451 NH1 ARG A 51 100.975 0.704 -33.682 1.00 0.00 N ATOM 452 NH2 ARG A 51 102.982 1.121 -34.632 1.00 0.00 N ATOM 0 H ARG A 51 100.049 -6.258 -31.705 1.00 0.00 H new ATOM 0 HA ARG A 51 102.388 -5.831 -33.342 1.00 0.00 H new ATOM 0 HB2 ARG A 51 100.407 -4.227 -32.979 1.00 0.00 H new ATOM 0 HB3 ARG A 51 101.034 -3.937 -31.368 1.00 0.00 H new ATOM 0 HG2 ARG A 51 103.201 -3.164 -32.309 1.00 0.00 H new ATOM 0 HG3 ARG A 51 102.667 -3.555 -33.932 1.00 0.00 H new ATOM 0 HD2 ARG A 51 100.722 -1.932 -33.610 1.00 0.00 H new ATOM 0 HD3 ARG A 51 101.422 -1.469 -32.071 1.00 0.00 H new ATOM 0 HE ARG A 51 103.485 -1.220 -34.021 1.00 0.00 H new ATOM 0 HH11 ARG A 51 100.340 0.065 -33.204 1.00 0.00 H new ATOM 0 HH12 ARG A 51 100.677 1.656 -33.895 1.00 0.00 H new ATOM 0 HH21 ARG A 51 103.916 0.809 -34.897 1.00 0.00 H new ATOM 0 HH22 ARG A 51 102.683 2.073 -34.844 1.00 0.00 H new ATOM 466 N GLY A 52 104.248 -5.855 -31.735 1.00 0.00 N ATOM 467 CA GLY A 52 105.372 -5.935 -30.809 1.00 0.00 C ATOM 468 C GLY A 52 105.699 -4.564 -30.228 1.00 0.00 C ATOM 0 H GLY A 52 104.501 -5.935 -32.720 1.00 0.00 H new ATOM 0 HA2 GLY A 52 105.135 -6.629 -30.002 1.00 0.00 H new ATOM 0 HA3 GLY A 52 106.246 -6.333 -31.325 1.00 0.00 H new TER 472 GLY A 52 ATOM 473 N SER B 23 86.517 17.351 4.584 1.00 0.00 N ATOM 474 CA SER B 23 85.349 18.234 4.310 1.00 0.00 C ATOM 475 C SER B 23 84.677 17.799 3.012 1.00 0.00 C ATOM 476 O SER B 23 83.451 17.762 2.922 1.00 0.00 O ATOM 477 CB SER B 23 85.824 19.682 4.189 1.00 0.00 C ATOM 478 OG SER B 23 86.283 20.136 5.456 1.00 0.00 O ATOM 0 HA SER B 23 84.632 18.158 5.128 1.00 0.00 H new ATOM 0 HB2 SER B 23 86.625 19.753 3.453 1.00 0.00 H new ATOM 0 HB3 SER B 23 85.010 20.315 3.837 1.00 0.00 H new ATOM 0 HG SER B 23 86.711 19.395 5.934 1.00 0.00 H new ATOM 483 N ASP B 24 85.476 17.489 2.021 1.00 0.00 N ATOM 484 CA ASP B 24 84.962 17.069 0.719 1.00 0.00 C ATOM 485 C ASP B 24 84.980 15.541 0.612 1.00 0.00 C ATOM 486 O ASP B 24 86.054 14.957 0.497 1.00 0.00 O ATOM 487 CB ASP B 24 85.847 17.655 -0.382 1.00 0.00 C ATOM 488 CG ASP B 24 85.938 19.169 -0.227 1.00 0.00 C ATOM 489 OD1 ASP B 24 84.972 19.838 -0.554 1.00 0.00 O ATOM 490 OD2 ASP B 24 86.974 19.637 0.217 1.00 0.00 O ATOM 0 H ASP B 24 86.494 17.517 2.082 1.00 0.00 H new ATOM 0 HA ASP B 24 83.937 17.425 0.609 1.00 0.00 H new ATOM 0 HB2 ASP B 24 86.843 17.215 -0.332 1.00 0.00 H new ATOM 0 HB3 ASP B 24 85.437 17.405 -1.361 1.00 0.00 H new ATOM 495 N PRO B 25 83.838 14.879 0.650 1.00 0.00 N ATOM 496 CA PRO B 25 83.776 13.388 0.553 1.00 0.00 C ATOM 497 C PRO B 25 84.700 12.819 -0.522 1.00 0.00 C ATOM 498 O PRO B 25 84.258 12.478 -1.619 1.00 0.00 O ATOM 499 CB PRO B 25 82.306 13.123 0.228 1.00 0.00 C ATOM 500 CG PRO B 25 81.571 14.233 0.900 1.00 0.00 C ATOM 501 CD PRO B 25 82.484 15.458 0.792 1.00 0.00 C ATOM 0 HA PRO B 25 84.115 12.903 1.468 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.131 13.124 -0.848 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.985 12.151 0.602 1.00 0.00 H new ATOM 0 HG2 PRO B 25 80.611 14.416 0.417 1.00 0.00 H new ATOM 0 HG3 PRO B 25 81.362 13.990 1.942 1.00 0.00 H new ATOM 0 HD2 PRO B 25 82.222 16.077 -0.066 1.00 0.00 H new ATOM 0 HD3 PRO B 25 82.410 16.091 1.676 1.00 0.00 H new ATOM 509 N LEU B 26 85.956 12.698 -0.190 1.00 0.00 N ATOM 510 CA LEU B 26 86.934 12.138 -1.119 1.00 0.00 C ATOM 511 C LEU B 26 86.436 10.790 -1.620 1.00 0.00 C ATOM 512 O LEU B 26 86.605 10.439 -2.788 1.00 0.00 O ATOM 513 CB LEU B 26 88.271 11.941 -0.389 1.00 0.00 C ATOM 514 CG LEU B 26 89.033 13.279 -0.271 1.00 0.00 C ATOM 515 CD1 LEU B 26 89.931 13.251 0.968 1.00 0.00 C ATOM 516 CD2 LEU B 26 89.890 13.508 -1.523 1.00 0.00 C ATOM 0 H LEU B 26 86.339 12.976 0.714 1.00 0.00 H new ATOM 0 HA LEU B 26 87.070 12.817 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU B 26 88.091 11.531 0.605 1.00 0.00 H new ATOM 0 HB3 LEU B 26 88.881 11.216 -0.927 1.00 0.00 H new ATOM 0 HG LEU B 26 88.313 14.092 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.468 14.196 1.050 1.00 0.00 H new ATOM 0 HD12 LEU B 26 89.319 13.103 1.858 1.00 0.00 H new ATOM 0 HD13 LEU B 26 90.647 12.434 0.880 1.00 0.00 H new ATOM 0 HD21 LEU B 26 90.424 14.454 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU B 26 90.608 12.695 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU B 26 89.248 13.538 -2.403 1.00 0.00 H new ATOM 528 N VAL B 27 85.845 10.051 -0.726 1.00 0.00 N ATOM 529 CA VAL B 27 85.331 8.729 -1.043 1.00 0.00 C ATOM 530 C VAL B 27 84.341 8.774 -2.200 1.00 0.00 C ATOM 531 O VAL B 27 84.463 7.999 -3.149 1.00 0.00 O ATOM 532 CB VAL B 27 84.637 8.150 0.192 1.00 0.00 C ATOM 533 CG1 VAL B 27 84.209 6.709 -0.079 1.00 0.00 C ATOM 534 CG2 VAL B 27 85.604 8.173 1.376 1.00 0.00 C ATOM 0 H VAL B 27 85.701 10.337 0.243 1.00 0.00 H new ATOM 0 HA VAL B 27 86.171 8.101 -1.340 1.00 0.00 H new ATOM 0 HB VAL B 27 83.757 8.751 0.421 1.00 0.00 H new ATOM 0 HG11 VAL B 27 83.716 6.304 0.805 1.00 0.00 H new ATOM 0 HG12 VAL B 27 83.519 6.687 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL B 27 85.087 6.107 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL B 27 85.111 7.761 2.256 1.00 0.00 H new ATOM 0 HG22 VAL B 27 86.484 7.574 1.139 1.00 0.00 H new ATOM 0 HG23 VAL B 27 85.908 9.200 1.578 1.00 0.00 H new ATOM 544 N VAL B 28 83.378 9.655 -2.137 1.00 0.00 N ATOM 545 CA VAL B 28 82.386 9.765 -3.203 1.00 0.00 C ATOM 546 C VAL B 28 83.005 10.378 -4.465 1.00 0.00 C ATOM 547 O VAL B 28 82.520 10.170 -5.577 1.00 0.00 O ATOM 548 CB VAL B 28 81.181 10.612 -2.701 1.00 0.00 C ATOM 549 CG1 VAL B 28 81.300 12.080 -3.147 1.00 0.00 C ATOM 550 CG2 VAL B 28 79.862 10.033 -3.235 1.00 0.00 C ATOM 0 H VAL B 28 83.249 10.310 -1.366 1.00 0.00 H new ATOM 0 HA VAL B 28 82.032 8.768 -3.466 1.00 0.00 H new ATOM 0 HB VAL B 28 81.189 10.575 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL B 28 80.442 12.643 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL B 28 82.216 12.510 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL B 28 81.326 12.129 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL B 28 79.028 10.636 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL B 28 79.875 10.044 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL B 28 79.746 9.008 -2.884 1.00 0.00 H new ATOM 560 N ALA B 29 84.036 11.150 -4.266 1.00 0.00 N ATOM 561 CA ALA B 29 84.706 11.839 -5.361 1.00 0.00 C ATOM 562 C ALA B 29 85.354 10.886 -6.365 1.00 0.00 C ATOM 563 O ALA B 29 85.400 11.192 -7.551 1.00 0.00 O ATOM 564 CB ALA B 29 85.772 12.779 -4.799 1.00 0.00 C ATOM 0 H ALA B 29 84.444 11.327 -3.348 1.00 0.00 H new ATOM 0 HA ALA B 29 83.939 12.397 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA B 29 86.272 13.294 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA B 29 85.302 13.512 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA B 29 86.503 12.203 -4.233 1.00 0.00 H new ATOM 570 N ALA B 30 85.851 9.759 -5.924 1.00 0.00 N ATOM 571 CA ALA B 30 86.470 8.844 -6.872 1.00 0.00 C ATOM 572 C ALA B 30 85.419 8.145 -7.735 1.00 0.00 C ATOM 573 O ALA B 30 85.517 8.128 -8.962 1.00 0.00 O ATOM 574 CB ALA B 30 87.316 7.840 -6.137 1.00 0.00 C ATOM 0 H ALA B 30 85.846 9.452 -4.951 1.00 0.00 H new ATOM 0 HA ALA B 30 87.110 9.420 -7.541 1.00 0.00 H new ATOM 0 HB1 ALA B 30 87.776 7.159 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.095 8.360 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA B 30 86.691 7.273 -5.447 1.00 0.00 H new ATOM 580 N SER B 31 84.441 7.569 -7.090 1.00 0.00 N ATOM 581 CA SER B 31 83.372 6.846 -7.785 1.00 0.00 C ATOM 582 C SER B 31 82.809 7.642 -8.965 1.00 0.00 C ATOM 583 O SER B 31 82.294 7.063 -9.922 1.00 0.00 O ATOM 584 CB SER B 31 82.235 6.552 -6.808 1.00 0.00 C ATOM 585 OG SER B 31 81.137 5.996 -7.520 1.00 0.00 O ATOM 0 H SER B 31 84.349 7.578 -6.074 1.00 0.00 H new ATOM 0 HA SER B 31 83.803 5.922 -8.171 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.572 5.859 -6.037 1.00 0.00 H new ATOM 0 HB3 SER B 31 81.929 7.467 -6.302 1.00 0.00 H new ATOM 0 HG SER B 31 80.406 5.805 -6.896 1.00 0.00 H new ATOM 591 N ILE B 32 82.906 8.937 -8.895 1.00 0.00 N ATOM 592 CA ILE B 32 82.391 9.774 -9.979 1.00 0.00 C ATOM 593 C ILE B 32 83.236 9.591 -11.247 1.00 0.00 C ATOM 594 O ILE B 32 82.709 9.606 -12.358 1.00 0.00 O ATOM 595 CB ILE B 32 82.329 11.261 -9.548 1.00 0.00 C ATOM 596 CG1 ILE B 32 81.188 11.973 -10.293 1.00 0.00 C ATOM 597 CG2 ILE B 32 83.651 11.980 -9.858 1.00 0.00 C ATOM 598 CD1 ILE B 32 81.118 13.435 -9.851 1.00 0.00 C ATOM 0 H ILE B 32 83.327 9.446 -8.118 1.00 0.00 H new ATOM 0 HA ILE B 32 81.373 9.457 -10.207 1.00 0.00 H new ATOM 0 HB ILE B 32 82.153 11.293 -8.473 1.00 0.00 H new ATOM 0 HG12 ILE B 32 81.352 11.916 -11.369 1.00 0.00 H new ATOM 0 HG13 ILE B 32 80.240 11.475 -10.088 1.00 0.00 H new ATOM 0 HG21 ILE B 32 83.580 13.022 -9.546 1.00 0.00 H new ATOM 0 HG22 ILE B 32 84.465 11.494 -9.319 1.00 0.00 H new ATOM 0 HG23 ILE B 32 83.847 11.935 -10.929 1.00 0.00 H new ATOM 0 HD11 ILE B 32 80.308 13.937 -10.381 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.934 13.482 -8.778 1.00 0.00 H new ATOM 0 HD13 ILE B 32 82.062 13.930 -10.079 1.00 0.00 H new ATOM 610 N ILE B 33 84.520 9.431 -11.076 1.00 0.00 N ATOM 611 CA ILE B 33 85.419 9.252 -12.216 1.00 0.00 C ATOM 612 C ILE B 33 85.230 7.883 -12.879 1.00 0.00 C ATOM 613 O ILE B 33 85.236 7.779 -14.104 1.00 0.00 O ATOM 614 CB ILE B 33 86.883 9.425 -11.766 1.00 0.00 C ATOM 615 CG1 ILE B 33 87.174 10.915 -11.544 1.00 0.00 C ATOM 616 CG2 ILE B 33 87.841 8.880 -12.837 1.00 0.00 C ATOM 617 CD1 ILE B 33 88.489 11.076 -10.778 1.00 0.00 C ATOM 0 H ILE B 33 84.980 9.419 -10.166 1.00 0.00 H new ATOM 0 HA ILE B 33 85.174 10.014 -12.955 1.00 0.00 H new ATOM 0 HB ILE B 33 87.033 8.871 -10.839 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.235 11.430 -12.503 1.00 0.00 H new ATOM 0 HG13 ILE B 33 86.358 11.375 -10.986 1.00 0.00 H new ATOM 0 HG21 ILE B 33 88.871 9.010 -12.504 1.00 0.00 H new ATOM 0 HG22 ILE B 33 87.642 7.820 -12.998 1.00 0.00 H new ATOM 0 HG23 ILE B 33 87.690 9.423 -13.770 1.00 0.00 H new ATOM 0 HD11 ILE B 33 88.692 12.136 -10.622 1.00 0.00 H new ATOM 0 HD12 ILE B 33 88.411 10.576 -9.813 1.00 0.00 H new ATOM 0 HD13 ILE B 33 89.302 10.631 -11.353 1.00 0.00 H new ATOM 629 N GLY B 34 85.148 6.843 -12.094 1.00 0.00 N ATOM 630 CA GLY B 34 85.056 5.494 -12.644 1.00 0.00 C ATOM 631 C GLY B 34 84.049 5.375 -13.785 1.00 0.00 C ATOM 632 O GLY B 34 84.366 4.791 -14.821 1.00 0.00 O ATOM 0 H GLY B 34 85.142 6.890 -11.075 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.039 5.187 -13.002 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.777 4.803 -11.849 1.00 0.00 H new ATOM 636 N ILE B 35 82.872 5.906 -13.624 1.00 0.00 N ATOM 637 CA ILE B 35 81.890 5.810 -14.699 1.00 0.00 C ATOM 638 C ILE B 35 82.421 6.532 -15.945 1.00 0.00 C ATOM 639 O ILE B 35 82.238 6.060 -17.067 1.00 0.00 O ATOM 640 CB ILE B 35 80.535 6.377 -14.238 1.00 0.00 C ATOM 641 CG1 ILE B 35 79.683 6.796 -15.446 1.00 0.00 C ATOM 642 CG2 ILE B 35 80.769 7.579 -13.332 1.00 0.00 C ATOM 643 CD1 ILE B 35 78.229 6.981 -15.007 1.00 0.00 C ATOM 0 H ILE B 35 82.561 6.400 -12.788 1.00 0.00 H new ATOM 0 HA ILE B 35 81.729 4.764 -14.959 1.00 0.00 H new ATOM 0 HB ILE B 35 79.999 5.602 -13.689 1.00 0.00 H new ATOM 0 HG12 ILE B 35 80.067 7.724 -15.870 1.00 0.00 H new ATOM 0 HG13 ILE B 35 79.744 6.039 -16.228 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.810 7.981 -13.005 1.00 0.00 H new ATOM 0 HG22 ILE B 35 81.349 7.271 -12.462 1.00 0.00 H new ATOM 0 HG23 ILE B 35 81.316 8.346 -13.880 1.00 0.00 H new ATOM 0 HD11 ILE B 35 77.625 7.278 -15.864 1.00 0.00 H new ATOM 0 HD12 ILE B 35 77.849 6.043 -14.603 1.00 0.00 H new ATOM 0 HD13 ILE B 35 78.176 7.754 -14.240 1.00 0.00 H new ATOM 655 N LEU B 36 83.089 7.640 -15.743 1.00 0.00 N ATOM 656 CA LEU B 36 83.665 8.388 -16.861 1.00 0.00 C ATOM 657 C LEU B 36 84.734 7.532 -17.541 1.00 0.00 C ATOM 658 O LEU B 36 84.795 7.431 -18.767 1.00 0.00 O ATOM 659 CB LEU B 36 84.307 9.686 -16.342 1.00 0.00 C ATOM 660 CG LEU B 36 84.756 10.581 -17.519 1.00 0.00 C ATOM 661 CD1 LEU B 36 83.587 11.459 -17.985 1.00 0.00 C ATOM 662 CD2 LEU B 36 85.915 11.487 -17.069 1.00 0.00 C ATOM 0 H LEU B 36 83.253 8.052 -14.825 1.00 0.00 H new ATOM 0 HA LEU B 36 82.879 8.635 -17.575 1.00 0.00 H new ATOM 0 HB2 LEU B 36 83.594 10.226 -15.719 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.164 9.447 -15.712 1.00 0.00 H new ATOM 0 HG LEU B 36 85.083 9.944 -18.341 1.00 0.00 H new ATOM 0 HD11 LEU B 36 83.912 12.087 -18.815 1.00 0.00 H new ATOM 0 HD12 LEU B 36 82.763 10.825 -18.311 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.255 12.090 -17.161 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.229 12.117 -17.902 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.585 12.116 -16.242 1.00 0.00 H new ATOM 0 HD23 LEU B 36 86.753 10.871 -16.744 1.00 0.00 H new ATOM 674 N HIS B 37 85.561 6.944 -16.726 1.00 0.00 N ATOM 675 CA HIS B 37 86.649 6.097 -17.207 1.00 0.00 C ATOM 676 C HIS B 37 86.091 4.869 -17.945 1.00 0.00 C ATOM 677 O HIS B 37 86.705 4.372 -18.889 1.00 0.00 O ATOM 678 CB HIS B 37 87.551 5.702 -15.999 1.00 0.00 C ATOM 679 CG HIS B 37 87.761 4.207 -15.903 1.00 0.00 C ATOM 680 ND1 HIS B 37 88.727 3.543 -16.644 1.00 0.00 N ATOM 681 CD2 HIS B 37 87.142 3.242 -15.148 1.00 0.00 C ATOM 682 CE1 HIS B 37 88.662 2.239 -16.321 1.00 0.00 C ATOM 683 NE2 HIS B 37 87.712 2.001 -15.413 1.00 0.00 N ATOM 0 H HIS B 37 85.513 7.028 -15.711 1.00 0.00 H new ATOM 0 HA HIS B 37 87.259 6.642 -17.927 1.00 0.00 H new ATOM 0 HB2 HIS B 37 88.518 6.197 -16.093 1.00 0.00 H new ATOM 0 HB3 HIS B 37 87.097 6.063 -15.076 1.00 0.00 H new ATOM 0 HD1 HIS B 37 89.370 3.967 -17.313 1.00 0.00 H new ATOM 0 HD2 HIS B 37 86.334 3.419 -14.453 1.00 0.00 H new ATOM 0 HE1 HIS B 37 89.300 1.477 -16.744 1.00 0.00 H new ATOM 692 N PHE B 38 84.962 4.385 -17.501 1.00 0.00 N ATOM 693 CA PHE B 38 84.349 3.204 -18.111 1.00 0.00 C ATOM 694 C PHE B 38 83.783 3.475 -19.509 1.00 0.00 C ATOM 695 O PHE B 38 83.903 2.634 -20.398 1.00 0.00 O ATOM 696 CB PHE B 38 83.230 2.673 -17.214 1.00 0.00 C ATOM 697 CG PHE B 38 82.657 1.418 -17.829 1.00 0.00 C ATOM 698 CD1 PHE B 38 81.622 1.509 -18.768 1.00 0.00 C ATOM 699 CD2 PHE B 38 83.164 0.163 -17.466 1.00 0.00 C ATOM 700 CE1 PHE B 38 81.095 0.348 -19.344 1.00 0.00 C ATOM 701 CE2 PHE B 38 82.635 -0.998 -18.043 1.00 0.00 C ATOM 702 CZ PHE B 38 81.602 -0.906 -18.982 1.00 0.00 C ATOM 0 H PHE B 38 84.438 4.780 -16.720 1.00 0.00 H new ATOM 0 HA PHE B 38 85.142 2.464 -18.217 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.616 2.461 -16.217 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.450 3.426 -17.100 1.00 0.00 H new ATOM 0 HD1 PHE B 38 81.230 2.476 -19.048 1.00 0.00 H new ATOM 0 HD2 PHE B 38 83.962 0.091 -16.742 1.00 0.00 H new ATOM 0 HE1 PHE B 38 80.297 0.419 -20.068 1.00 0.00 H new ATOM 0 HE2 PHE B 38 83.025 -1.965 -17.763 1.00 0.00 H new ATOM 0 HZ PHE B 38 81.196 -1.802 -19.428 1.00 0.00 H new ATOM 712 N ILE B 39 83.140 4.597 -19.696 1.00 0.00 N ATOM 713 CA ILE B 39 82.531 4.899 -20.995 1.00 0.00 C ATOM 714 C ILE B 39 83.568 5.171 -22.087 1.00 0.00 C ATOM 715 O ILE B 39 83.368 4.781 -23.231 1.00 0.00 O ATOM 716 CB ILE B 39 81.579 6.090 -20.879 1.00 0.00 C ATOM 717 CG1 ILE B 39 82.300 7.270 -20.231 1.00 0.00 C ATOM 718 CG2 ILE B 39 80.378 5.697 -20.019 1.00 0.00 C ATOM 719 CD1 ILE B 39 81.397 8.503 -20.288 1.00 0.00 C ATOM 0 H ILE B 39 83.017 5.318 -18.985 1.00 0.00 H new ATOM 0 HA ILE B 39 81.974 4.010 -21.289 1.00 0.00 H new ATOM 0 HB ILE B 39 81.241 6.378 -21.875 1.00 0.00 H new ATOM 0 HG12 ILE B 39 82.550 7.035 -19.196 1.00 0.00 H new ATOM 0 HG13 ILE B 39 83.238 7.467 -20.749 1.00 0.00 H new ATOM 0 HG21 ILE B 39 79.698 6.545 -19.935 1.00 0.00 H new ATOM 0 HG22 ILE B 39 79.858 4.859 -20.482 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.721 5.407 -19.026 1.00 0.00 H new ATOM 0 HD11 ILE B 39 81.907 9.349 -19.827 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.169 8.739 -21.327 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.471 8.301 -19.751 1.00 0.00 H new ATOM 731 N ALA B 40 84.644 5.824 -21.749 1.00 0.00 N ATOM 732 CA ALA B 40 85.680 6.122 -22.739 1.00 0.00 C ATOM 733 C ALA B 40 86.386 4.840 -23.169 1.00 0.00 C ATOM 734 O ALA B 40 86.905 4.740 -24.281 1.00 0.00 O ATOM 735 CB ALA B 40 86.700 7.102 -22.157 1.00 0.00 C ATOM 0 H ALA B 40 84.840 6.164 -20.808 1.00 0.00 H new ATOM 0 HA ALA B 40 85.206 6.575 -23.610 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.466 7.316 -22.903 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.197 8.028 -21.878 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.165 6.662 -21.275 1.00 0.00 H new ATOM 741 N TRP B 41 86.412 3.891 -22.279 1.00 0.00 N ATOM 742 CA TRP B 41 87.069 2.610 -22.527 1.00 0.00 C ATOM 743 C TRP B 41 86.622 1.977 -23.835 1.00 0.00 C ATOM 744 O TRP B 41 87.450 1.534 -24.632 1.00 0.00 O ATOM 745 CB TRP B 41 86.736 1.654 -21.379 1.00 0.00 C ATOM 746 CG TRP B 41 87.456 0.355 -21.559 1.00 0.00 C ATOM 747 CD1 TRP B 41 87.259 -0.530 -22.573 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.466 -0.239 -20.694 1.00 0.00 C ATOM 749 NE1 TRP B 41 88.113 -1.599 -22.400 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.870 -1.468 -21.257 1.00 0.00 C ATOM 751 CE3 TRP B 41 89.073 0.172 -19.493 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.838 -2.261 -20.656 1.00 0.00 C ATOM 753 CZ3 TRP B 41 90.046 -0.634 -18.878 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.429 -1.849 -19.462 1.00 0.00 C ATOM 0 H TRP B 41 85.983 3.969 -21.357 1.00 0.00 H new ATOM 0 HA TRP B 41 88.141 2.793 -22.593 1.00 0.00 H new ATOM 0 HB2 TRP B 41 87.018 2.105 -20.428 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.661 1.479 -21.342 1.00 0.00 H new ATOM 0 HD1 TRP B 41 86.551 -0.415 -23.380 1.00 0.00 H new ATOM 0 HE1 TRP B 41 88.176 -2.390 -23.041 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.790 1.111 -19.042 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 90.133 -3.195 -21.112 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.501 -0.316 -17.951 1.00 0.00 H new ATOM 0 HH2 TRP B 41 91.180 -2.464 -18.989 1.00 0.00 H new ATOM 765 N THR B 42 85.338 1.887 -24.031 1.00 0.00 N ATOM 766 CA THR B 42 84.808 1.244 -25.229 1.00 0.00 C ATOM 767 C THR B 42 85.514 1.757 -26.476 1.00 0.00 C ATOM 768 O THR B 42 85.765 0.999 -27.412 1.00 0.00 O ATOM 769 CB THR B 42 83.306 1.522 -25.340 1.00 0.00 C ATOM 770 OG1 THR B 42 82.768 0.775 -26.421 1.00 0.00 O ATOM 771 CG2 THR B 42 83.072 3.018 -25.585 1.00 0.00 C ATOM 0 H THR B 42 84.631 2.244 -23.389 1.00 0.00 H new ATOM 0 HA THR B 42 84.980 0.171 -25.150 1.00 0.00 H new ATOM 0 HB THR B 42 82.815 1.229 -24.412 1.00 0.00 H new ATOM 0 HG1 THR B 42 81.806 0.950 -26.493 1.00 0.00 H new ATOM 0 HG21 THR B 42 82.002 3.211 -25.663 1.00 0.00 H new ATOM 0 HG22 THR B 42 83.484 3.592 -24.755 1.00 0.00 H new ATOM 0 HG23 THR B 42 83.563 3.316 -26.511 1.00 0.00 H new ATOM 779 N ILE B 43 85.793 3.024 -26.503 1.00 0.00 N ATOM 780 CA ILE B 43 86.428 3.632 -27.661 1.00 0.00 C ATOM 781 C ILE B 43 87.650 2.820 -28.129 1.00 0.00 C ATOM 782 O ILE B 43 87.895 2.716 -29.326 1.00 0.00 O ATOM 783 CB ILE B 43 86.811 5.089 -27.300 1.00 0.00 C ATOM 784 CG1 ILE B 43 86.690 6.003 -28.529 1.00 0.00 C ATOM 785 CG2 ILE B 43 88.244 5.165 -26.757 1.00 0.00 C ATOM 786 CD1 ILE B 43 86.917 7.455 -28.100 1.00 0.00 C ATOM 0 H ILE B 43 85.595 3.670 -25.739 1.00 0.00 H new ATOM 0 HA ILE B 43 85.731 3.638 -28.499 1.00 0.00 H new ATOM 0 HB ILE B 43 86.119 5.426 -26.528 1.00 0.00 H new ATOM 0 HG12 ILE B 43 87.421 5.716 -29.284 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.705 5.895 -28.982 1.00 0.00 H new ATOM 0 HG21 ILE B 43 88.486 6.199 -26.512 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.326 4.551 -25.860 1.00 0.00 H new ATOM 0 HG23 ILE B 43 88.939 4.799 -27.513 1.00 0.00 H new ATOM 0 HD11 ILE B 43 86.832 8.108 -28.968 1.00 0.00 H new ATOM 0 HD12 ILE B 43 86.169 7.737 -27.359 1.00 0.00 H new ATOM 0 HD13 ILE B 43 87.912 7.555 -27.666 1.00 0.00 H new ATOM 798 N GLY B 44 88.388 2.244 -27.215 1.00 0.00 N ATOM 799 CA GLY B 44 89.558 1.442 -27.597 1.00 0.00 C ATOM 800 C GLY B 44 89.127 0.245 -28.437 1.00 0.00 C ATOM 801 O GLY B 44 89.704 -0.037 -29.487 1.00 0.00 O ATOM 0 H GLY B 44 88.217 2.304 -26.211 1.00 0.00 H new ATOM 0 HA2 GLY B 44 90.260 2.056 -28.160 1.00 0.00 H new ATOM 0 HA3 GLY B 44 90.080 1.099 -26.704 1.00 0.00 H new ATOM 805 N HIS B 45 88.155 -0.464 -27.943 1.00 0.00 N ATOM 806 CA HIS B 45 87.654 -1.667 -28.598 1.00 0.00 C ATOM 807 C HIS B 45 87.518 -1.465 -30.101 1.00 0.00 C ATOM 808 O HIS B 45 87.539 -2.430 -30.863 1.00 0.00 O ATOM 809 CB HIS B 45 86.288 -2.021 -28.004 1.00 0.00 C ATOM 810 CG HIS B 45 85.741 -3.265 -28.649 1.00 0.00 C ATOM 811 ND1 HIS B 45 85.220 -3.266 -29.934 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.602 -4.550 -28.186 1.00 0.00 C ATOM 813 CE1 HIS B 45 84.793 -4.514 -30.196 1.00 0.00 C ATOM 814 NE2 HIS B 45 85.002 -5.337 -29.165 1.00 0.00 N ATOM 0 H HIS B 45 87.676 -0.235 -27.072 1.00 0.00 H new ATOM 0 HA HIS B 45 88.365 -2.476 -28.431 1.00 0.00 H new ATOM 0 HB2 HIS B 45 86.380 -2.172 -26.928 1.00 0.00 H new ATOM 0 HB3 HIS B 45 85.595 -1.193 -28.151 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.911 -4.897 -27.211 1.00 0.00 H new ATOM 0 HE1 HIS B 45 84.336 -4.814 -31.127 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.772 -6.329 -29.107 1.00 0.00 H new ATOM 823 N LEU B 46 87.359 -0.245 -30.524 1.00 0.00 N ATOM 824 CA LEU B 46 87.197 0.024 -31.944 1.00 0.00 C ATOM 825 C LEU B 46 88.228 -0.742 -32.781 1.00 0.00 C ATOM 826 O LEU B 46 87.938 -1.097 -33.924 1.00 0.00 O ATOM 827 CB LEU B 46 87.294 1.548 -32.220 1.00 0.00 C ATOM 828 CG LEU B 46 88.757 1.986 -32.513 1.00 0.00 C ATOM 829 CD1 LEU B 46 89.104 1.788 -34.016 1.00 0.00 C ATOM 830 CD2 LEU B 46 88.947 3.472 -32.127 1.00 0.00 C ATOM 0 H LEU B 46 87.336 0.579 -29.923 1.00 0.00 H new ATOM 0 HA LEU B 46 86.207 -0.324 -32.239 1.00 0.00 H new ATOM 0 HB2 LEU B 46 86.660 1.806 -33.068 1.00 0.00 H new ATOM 0 HB3 LEU B 46 86.914 2.099 -31.359 1.00 0.00 H new ATOM 0 HG LEU B 46 89.427 1.365 -31.918 1.00 0.00 H new ATOM 0 HD11 LEU B 46 90.132 2.101 -34.196 1.00 0.00 H new ATOM 0 HD12 LEU B 46 88.994 0.736 -34.279 1.00 0.00 H new ATOM 0 HD13 LEU B 46 88.430 2.388 -34.627 1.00 0.00 H new ATOM 0 HD21 LEU B 46 89.974 3.773 -32.334 1.00 0.00 H new ATOM 0 HD22 LEU B 46 88.263 4.089 -32.709 1.00 0.00 H new ATOM 0 HD23 LEU B 46 88.738 3.602 -31.065 1.00 0.00 H new ATOM 842 N ASN B 47 89.395 -1.027 -32.244 1.00 0.00 N ATOM 843 CA ASN B 47 90.402 -1.789 -32.993 1.00 0.00 C ATOM 844 C ASN B 47 90.067 -3.292 -33.115 1.00 0.00 C ATOM 845 O ASN B 47 90.477 -3.941 -34.076 1.00 0.00 O ATOM 846 CB ASN B 47 91.762 -1.645 -32.306 1.00 0.00 C ATOM 847 CG ASN B 47 92.045 -0.176 -32.008 1.00 0.00 C ATOM 848 OD1 ASN B 47 92.138 0.638 -32.926 1.00 0.00 O ATOM 849 ND2 ASN B 47 92.188 0.212 -30.770 1.00 0.00 N ATOM 0 H ASN B 47 89.679 -0.752 -31.304 1.00 0.00 H new ATOM 0 HA ASN B 47 90.418 -1.376 -34.002 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.774 -2.221 -31.381 1.00 0.00 H new ATOM 0 HB3 ASN B 47 92.546 -2.052 -32.945 1.00 0.00 H new ATOM 0 HD21 ASN B 47 92.377 1.192 -30.561 1.00 0.00 H new ATOM 0 HD22 ASN B 47 92.110 -0.465 -30.011 1.00 0.00 H new ATOM 856 N GLN B 48 89.361 -3.838 -32.146 1.00 0.00 N ATOM 857 CA GLN B 48 89.021 -5.259 -32.157 1.00 0.00 C ATOM 858 C GLN B 48 88.519 -5.696 -33.528 1.00 0.00 C ATOM 859 O GLN B 48 89.308 -6.116 -34.372 1.00 0.00 O ATOM 860 CB GLN B 48 87.957 -5.556 -31.087 1.00 0.00 C ATOM 861 CG GLN B 48 88.623 -5.680 -29.708 1.00 0.00 C ATOM 862 CD GLN B 48 89.265 -7.058 -29.555 1.00 0.00 C ATOM 863 OE1 GLN B 48 89.469 -7.794 -30.613 1.00 0.00 O flip ATOM 864 NE2 GLN B 48 89.584 -7.473 -28.442 1.00 0.00 N flip ATOM 0 H GLN B 48 89.008 -3.325 -31.338 1.00 0.00 H new ATOM 0 HA GLN B 48 89.925 -5.824 -31.932 1.00 0.00 H new ATOM 0 HB2 GLN B 48 87.213 -4.760 -31.071 1.00 0.00 H new ATOM 0 HB3 GLN B 48 87.431 -6.479 -31.331 1.00 0.00 H new ATOM 0 HG2 GLN B 48 89.379 -4.903 -29.590 1.00 0.00 H new ATOM 0 HG3 GLN B 48 87.882 -5.526 -28.923 1.00 0.00 H new ATOM 0 HE21 GLN B 48 89.423 -6.895 -27.617 1.00 0.00 H new ATOM 0 HE22 GLN B 48 90.009 -8.395 -28.344 1.00 0.00 H new ATOM 873 N ILE B 49 87.222 -5.619 -33.725 1.00 0.00 N ATOM 874 CA ILE B 49 86.606 -6.030 -34.992 1.00 0.00 C ATOM 875 C ILE B 49 87.532 -5.758 -36.177 1.00 0.00 C ATOM 876 O ILE B 49 87.997 -6.693 -36.826 1.00 0.00 O ATOM 877 CB ILE B 49 85.262 -5.313 -35.182 1.00 0.00 C ATOM 878 CG1 ILE B 49 84.655 -5.731 -36.528 1.00 0.00 C ATOM 879 CG2 ILE B 49 85.455 -3.785 -35.143 1.00 0.00 C ATOM 880 CD1 ILE B 49 83.180 -5.324 -36.570 1.00 0.00 C ATOM 0 H ILE B 49 86.561 -5.276 -33.028 1.00 0.00 H new ATOM 0 HA ILE B 49 86.432 -7.105 -34.950 1.00 0.00 H new ATOM 0 HB ILE B 49 84.589 -5.594 -34.372 1.00 0.00 H new ATOM 0 HG12 ILE B 49 85.197 -5.258 -37.346 1.00 0.00 H new ATOM 0 HG13 ILE B 49 84.750 -6.808 -36.663 1.00 0.00 H new ATOM 0 HG21 ILE B 49 84.492 -3.293 -35.279 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.877 -3.496 -34.180 1.00 0.00 H new ATOM 0 HG23 ILE B 49 86.133 -3.483 -35.942 1.00 0.00 H new ATOM 0 HD11 ILE B 49 82.748 -5.620 -37.526 1.00 0.00 H new ATOM 0 HD12 ILE B 49 82.643 -5.818 -35.760 1.00 0.00 H new ATOM 0 HD13 ILE B 49 83.097 -4.243 -36.454 1.00 0.00 H new ATOM 892 N LYS B 50 87.794 -4.502 -36.450 1.00 0.00 N ATOM 893 CA LYS B 50 88.676 -4.127 -37.560 1.00 0.00 C ATOM 894 C LYS B 50 89.844 -5.104 -37.691 1.00 0.00 C ATOM 895 O LYS B 50 90.087 -5.658 -38.763 1.00 0.00 O ATOM 896 CB LYS B 50 89.226 -2.712 -37.325 1.00 0.00 C ATOM 897 CG LYS B 50 88.127 -1.660 -37.583 1.00 0.00 C ATOM 898 CD LYS B 50 88.071 -1.286 -39.082 1.00 0.00 C ATOM 899 CE LYS B 50 88.965 -0.068 -39.363 1.00 0.00 C ATOM 900 NZ LYS B 50 90.343 -0.330 -38.857 1.00 0.00 N ATOM 0 H LYS B 50 87.415 -3.713 -35.926 1.00 0.00 H new ATOM 0 HA LYS B 50 88.094 -4.156 -38.481 1.00 0.00 H new ATOM 0 HB2 LYS B 50 89.592 -2.622 -36.302 1.00 0.00 H new ATOM 0 HB3 LYS B 50 90.075 -2.530 -37.984 1.00 0.00 H new ATOM 0 HG2 LYS B 50 87.161 -2.050 -37.264 1.00 0.00 H new ATOM 0 HG3 LYS B 50 88.323 -0.768 -36.987 1.00 0.00 H new ATOM 0 HD2 LYS B 50 88.397 -2.132 -39.687 1.00 0.00 H new ATOM 0 HD3 LYS B 50 87.043 -1.065 -39.370 1.00 0.00 H new ATOM 0 HE2 LYS B 50 88.993 0.136 -40.433 1.00 0.00 H new ATOM 0 HE3 LYS B 50 88.552 0.818 -38.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 90.974 0.442 -39.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 90.327 -0.386 -37.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 90.691 -1.229 -39.247 1.00 0.00 H new ATOM 914 N ARG B 51 90.545 -5.310 -36.609 1.00 0.00 N ATOM 915 CA ARG B 51 91.682 -6.225 -36.608 1.00 0.00 C ATOM 916 C ARG B 51 91.206 -7.671 -36.710 1.00 0.00 C ATOM 917 O ARG B 51 91.815 -8.487 -37.403 1.00 0.00 O ATOM 918 CB ARG B 51 92.498 -6.042 -35.328 1.00 0.00 C ATOM 919 CG ARG B 51 93.235 -4.702 -35.381 1.00 0.00 C ATOM 920 CD ARG B 51 94.047 -4.512 -34.100 1.00 0.00 C ATOM 921 NE ARG B 51 94.752 -3.236 -34.135 1.00 0.00 N ATOM 922 CZ ARG B 51 95.784 -3.058 -34.913 1.00 0.00 C ATOM 923 NH1 ARG B 51 96.200 -4.030 -35.678 1.00 0.00 N ATOM 924 NH2 ARG B 51 96.398 -1.906 -34.929 1.00 0.00 N ATOM 0 H ARG B 51 90.359 -4.863 -35.711 1.00 0.00 H new ATOM 0 HA ARG B 51 92.307 -5.999 -37.472 1.00 0.00 H new ATOM 0 HB2 ARG B 51 91.842 -6.074 -34.458 1.00 0.00 H new ATOM 0 HB3 ARG B 51 93.212 -6.858 -35.219 1.00 0.00 H new ATOM 0 HG2 ARG B 51 93.894 -4.672 -36.249 1.00 0.00 H new ATOM 0 HG3 ARG B 51 92.520 -3.887 -35.495 1.00 0.00 H new ATOM 0 HD2 ARG B 51 93.387 -4.547 -33.234 1.00 0.00 H new ATOM 0 HD3 ARG B 51 94.762 -5.328 -33.989 1.00 0.00 H new ATOM 0 HE ARG B 51 94.433 -2.470 -33.542 1.00 0.00 H new ATOM 0 HH11 ARG B 51 95.718 -4.929 -35.668 1.00 0.00 H new ATOM 0 HH12 ARG B 51 97.007 -3.891 -36.286 1.00 0.00 H new ATOM 0 HH21 ARG B 51 96.071 -1.145 -34.333 1.00 0.00 H new ATOM 0 HH22 ARG B 51 97.205 -1.767 -35.537 1.00 0.00 H new ATOM 938 N GLY B 52 90.137 -7.976 -36.027 1.00 0.00 N ATOM 939 CA GLY B 52 89.588 -9.327 -36.045 1.00 0.00 C ATOM 940 C GLY B 52 88.205 -9.361 -35.403 1.00 0.00 C ATOM 0 H GLY B 52 89.620 -7.315 -35.447 1.00 0.00 H new ATOM 0 HA2 GLY B 52 89.525 -9.685 -37.073 1.00 0.00 H new ATOM 0 HA3 GLY B 52 90.257 -10.003 -35.513 1.00 0.00 H new TER 944 GLY B 52 ATOM 945 N SER C 23 93.682 10.353 10.473 1.00 0.00 N ATOM 946 CA SER C 23 93.327 11.365 9.439 1.00 0.00 C ATOM 947 C SER C 23 92.966 10.656 8.139 1.00 0.00 C ATOM 948 O SER C 23 92.886 11.281 7.081 1.00 0.00 O ATOM 949 CB SER C 23 94.518 12.296 9.212 1.00 0.00 C ATOM 950 OG SER C 23 94.133 13.345 8.334 1.00 0.00 O ATOM 0 HA SER C 23 92.472 11.951 9.776 1.00 0.00 H new ATOM 0 HB2 SER C 23 94.859 12.708 10.162 1.00 0.00 H new ATOM 0 HB3 SER C 23 95.354 11.739 8.788 1.00 0.00 H new ATOM 0 HG SER C 23 93.565 12.984 7.622 1.00 0.00 H new ATOM 955 N ASP C 24 92.746 9.368 8.225 1.00 0.00 N ATOM 956 CA ASP C 24 92.387 8.576 7.058 1.00 0.00 C ATOM 957 C ASP C 24 93.208 8.993 5.845 1.00 0.00 C ATOM 958 O ASP C 24 92.656 9.316 4.794 1.00 0.00 O ATOM 959 CB ASP C 24 90.898 8.749 6.750 1.00 0.00 C ATOM 960 CG ASP C 24 90.614 10.191 6.349 1.00 0.00 C ATOM 961 OD1 ASP C 24 90.480 11.017 7.236 1.00 0.00 O ATOM 962 OD2 ASP C 24 90.534 10.449 5.159 1.00 0.00 O ATOM 0 H ASP C 24 92.808 8.836 9.093 1.00 0.00 H new ATOM 0 HA ASP C 24 92.597 7.529 7.278 1.00 0.00 H new ATOM 0 HB2 ASP C 24 90.604 8.074 5.946 1.00 0.00 H new ATOM 0 HB3 ASP C 24 90.304 8.482 7.624 1.00 0.00 H new ATOM 967 N PRO C 25 94.507 8.988 5.970 1.00 0.00 N ATOM 968 CA PRO C 25 95.406 9.372 4.849 1.00 0.00 C ATOM 969 C PRO C 25 95.266 8.383 3.700 1.00 0.00 C ATOM 970 O PRO C 25 95.627 8.673 2.559 1.00 0.00 O ATOM 971 CB PRO C 25 96.816 9.337 5.472 1.00 0.00 C ATOM 972 CG PRO C 25 96.695 8.450 6.675 1.00 0.00 C ATOM 973 CD PRO C 25 95.260 8.611 7.179 1.00 0.00 C ATOM 0 HA PRO C 25 95.177 10.350 4.425 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.548 8.945 4.766 1.00 0.00 H new ATOM 0 HB3 PRO C 25 97.147 10.337 5.752 1.00 0.00 H new ATOM 0 HG2 PRO C 25 96.903 7.412 6.416 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.412 8.736 7.444 1.00 0.00 H new ATOM 0 HD2 PRO C 25 94.882 7.686 7.614 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.190 9.378 7.950 1.00 0.00 H new ATOM 981 N LEU C 26 94.757 7.225 4.017 1.00 0.00 N ATOM 982 CA LEU C 26 94.576 6.173 3.021 1.00 0.00 C ATOM 983 C LEU C 26 93.544 6.571 1.956 1.00 0.00 C ATOM 984 O LEU C 26 93.733 6.301 0.770 1.00 0.00 O ATOM 985 CB LEU C 26 94.119 4.878 3.716 1.00 0.00 C ATOM 986 CG LEU C 26 95.320 4.155 4.334 1.00 0.00 C ATOM 987 CD1 LEU C 26 96.043 5.091 5.305 1.00 0.00 C ATOM 988 CD2 LEU C 26 94.829 2.913 5.086 1.00 0.00 C ATOM 0 H LEU C 26 94.455 6.973 4.958 1.00 0.00 H new ATOM 0 HA LEU C 26 95.533 6.016 2.523 1.00 0.00 H new ATOM 0 HB2 LEU C 26 93.388 5.111 4.490 1.00 0.00 H new ATOM 0 HB3 LEU C 26 93.624 4.226 2.996 1.00 0.00 H new ATOM 0 HG LEU C 26 96.010 3.856 3.545 1.00 0.00 H new ATOM 0 HD11 LEU C 26 96.896 4.573 5.742 1.00 0.00 H new ATOM 0 HD12 LEU C 26 96.390 5.974 4.769 1.00 0.00 H new ATOM 0 HD13 LEU C 26 95.358 5.394 6.097 1.00 0.00 H new ATOM 0 HD21 LEU C 26 95.680 2.395 5.528 1.00 0.00 H new ATOM 0 HD22 LEU C 26 94.139 3.214 5.874 1.00 0.00 H new ATOM 0 HD23 LEU C 26 94.318 2.246 4.392 1.00 0.00 H new ATOM 1000 N VAL C 27 92.466 7.174 2.380 1.00 0.00 N ATOM 1001 CA VAL C 27 91.399 7.574 1.461 1.00 0.00 C ATOM 1002 C VAL C 27 91.849 8.647 0.466 1.00 0.00 C ATOM 1003 O VAL C 27 91.573 8.546 -0.730 1.00 0.00 O ATOM 1004 CB VAL C 27 90.215 8.118 2.270 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.106 8.599 1.327 1.00 0.00 C ATOM 1006 CG2 VAL C 27 89.664 7.013 3.174 1.00 0.00 C ATOM 0 H VAL C 27 92.290 7.406 3.358 1.00 0.00 H new ATOM 0 HA VAL C 27 91.116 6.690 0.890 1.00 0.00 H new ATOM 0 HB VAL C 27 90.557 8.957 2.876 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.271 8.983 1.913 1.00 0.00 H new ATOM 0 HG12 VAL C 27 89.492 9.390 0.685 1.00 0.00 H new ATOM 0 HG13 VAL C 27 88.765 7.766 0.712 1.00 0.00 H new ATOM 0 HG21 VAL C 27 88.823 7.399 3.749 1.00 0.00 H new ATOM 0 HG22 VAL C 27 89.331 6.175 2.562 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.445 6.677 3.856 1.00 0.00 H new ATOM 1016 N VAL C 28 92.502 9.662 0.956 1.00 0.00 N ATOM 1017 CA VAL C 28 92.949 10.754 0.093 1.00 0.00 C ATOM 1018 C VAL C 28 94.104 10.331 -0.814 1.00 0.00 C ATOM 1019 O VAL C 28 94.163 10.728 -1.974 1.00 0.00 O ATOM 1020 CB VAL C 28 93.354 11.972 0.951 1.00 0.00 C ATOM 1021 CG1 VAL C 28 94.787 11.806 1.474 1.00 0.00 C ATOM 1022 CG2 VAL C 28 93.270 13.254 0.108 1.00 0.00 C ATOM 0 H VAL C 28 92.743 9.770 1.941 1.00 0.00 H new ATOM 0 HA VAL C 28 92.116 11.029 -0.554 1.00 0.00 H new ATOM 0 HB VAL C 28 92.670 12.042 1.797 1.00 0.00 H new ATOM 0 HG11 VAL C 28 95.057 12.673 2.077 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.849 10.906 2.085 1.00 0.00 H new ATOM 0 HG13 VAL C 28 95.474 11.721 0.632 1.00 0.00 H new ATOM 0 HG21 VAL C 28 93.557 14.110 0.718 1.00 0.00 H new ATOM 0 HG22 VAL C 28 93.945 13.174 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL C 28 92.249 13.389 -0.249 1.00 0.00 H new ATOM 1032 N ALA C 29 95.010 9.564 -0.276 1.00 0.00 N ATOM 1033 CA ALA C 29 96.182 9.110 -1.017 1.00 0.00 C ATOM 1034 C ALA C 29 95.845 8.087 -2.103 1.00 0.00 C ATOM 1035 O ALA C 29 96.572 7.978 -3.091 1.00 0.00 O ATOM 1036 CB ALA C 29 97.180 8.481 -0.044 1.00 0.00 C ATOM 0 H ALA C 29 94.969 9.229 0.687 1.00 0.00 H new ATOM 0 HA ALA C 29 96.604 9.985 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.058 8.140 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.481 9.221 0.698 1.00 0.00 H new ATOM 0 HB3 ALA C 29 96.714 7.633 0.458 1.00 0.00 H new ATOM 1042 N ALA C 30 94.794 7.326 -1.924 1.00 0.00 N ATOM 1043 CA ALA C 30 94.448 6.313 -2.904 1.00 0.00 C ATOM 1044 C ALA C 30 93.872 6.911 -4.194 1.00 0.00 C ATOM 1045 O ALA C 30 94.169 6.427 -5.285 1.00 0.00 O ATOM 1046 CB ALA C 30 93.489 5.315 -2.272 1.00 0.00 C ATOM 0 H ALA C 30 94.167 7.383 -1.121 1.00 0.00 H new ATOM 0 HA ALA C 30 95.362 5.799 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.225 4.551 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA C 30 93.967 4.845 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA C 30 92.587 5.833 -1.947 1.00 0.00 H new ATOM 1052 N SER C 31 93.060 7.936 -4.082 1.00 0.00 N ATOM 1053 CA SER C 31 92.460 8.563 -5.265 1.00 0.00 C ATOM 1054 C SER C 31 93.522 9.195 -6.160 1.00 0.00 C ATOM 1055 O SER C 31 93.333 9.334 -7.368 1.00 0.00 O ATOM 1056 CB SER C 31 91.462 9.635 -4.832 1.00 0.00 C ATOM 1057 OG SER C 31 90.839 10.189 -5.984 1.00 0.00 O ATOM 0 H SER C 31 92.793 8.361 -3.194 1.00 0.00 H new ATOM 0 HA SER C 31 91.950 7.785 -5.833 1.00 0.00 H new ATOM 0 HB2 SER C 31 90.711 9.203 -4.170 1.00 0.00 H new ATOM 0 HB3 SER C 31 91.972 10.417 -4.269 1.00 0.00 H new ATOM 0 HG SER C 31 90.197 10.876 -5.710 1.00 0.00 H new ATOM 1063 N ILE C 32 94.599 9.597 -5.559 1.00 0.00 N ATOM 1064 CA ILE C 32 95.682 10.255 -6.282 1.00 0.00 C ATOM 1065 C ILE C 32 96.014 9.488 -7.561 1.00 0.00 C ATOM 1066 O ILE C 32 96.159 10.090 -8.625 1.00 0.00 O ATOM 1067 CB ILE C 32 96.905 10.321 -5.361 1.00 0.00 C ATOM 1068 CG1 ILE C 32 96.487 10.923 -4.017 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.008 11.175 -5.969 1.00 0.00 C ATOM 1070 CD1 ILE C 32 95.796 12.279 -4.214 1.00 0.00 C ATOM 0 H ILE C 32 94.767 9.487 -4.559 1.00 0.00 H new ATOM 0 HA ILE C 32 95.380 11.262 -6.569 1.00 0.00 H new ATOM 0 HB ILE C 32 97.289 9.310 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE C 32 95.813 10.239 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.364 11.046 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.862 11.202 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE C 32 98.315 10.747 -6.923 1.00 0.00 H new ATOM 0 HG23 ILE C 32 97.638 12.188 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE C 32 95.509 12.685 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE C 32 96.481 12.968 -4.708 1.00 0.00 H new ATOM 0 HD13 ILE C 32 94.906 12.148 -4.830 1.00 0.00 H new ATOM 1082 N ILE C 33 96.105 8.192 -7.472 1.00 0.00 N ATOM 1083 CA ILE C 33 96.389 7.386 -8.654 1.00 0.00 C ATOM 1084 C ILE C 33 95.233 7.502 -9.651 1.00 0.00 C ATOM 1085 O ILE C 33 95.440 7.608 -10.858 1.00 0.00 O ATOM 1086 CB ILE C 33 96.575 5.920 -8.257 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.668 5.811 -7.190 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.983 5.105 -9.486 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.685 4.392 -6.619 1.00 0.00 C ATOM 0 H ILE C 33 95.990 7.662 -6.608 1.00 0.00 H new ATOM 0 HA ILE C 33 97.306 7.751 -9.117 1.00 0.00 H new ATOM 0 HB ILE C 33 95.637 5.533 -7.858 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.639 6.052 -7.623 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.487 6.533 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE C 33 97.115 4.061 -9.203 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.205 5.179 -10.246 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.919 5.494 -9.886 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.463 4.315 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.717 4.169 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE C 33 97.887 3.680 -7.419 1.00 0.00 H new ATOM 1101 N GLY C 34 94.038 7.446 -9.135 1.00 0.00 N ATOM 1102 CA GLY C 34 92.839 7.507 -9.968 1.00 0.00 C ATOM 1103 C GLY C 34 92.886 8.661 -10.975 1.00 0.00 C ATOM 1104 O GLY C 34 92.647 8.458 -12.162 1.00 0.00 O ATOM 0 H GLY C 34 93.853 7.358 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.724 6.565 -10.504 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.962 7.620 -9.330 1.00 0.00 H new ATOM 1108 N ILE C 35 93.177 9.845 -10.518 1.00 0.00 N ATOM 1109 CA ILE C 35 93.230 10.995 -11.421 1.00 0.00 C ATOM 1110 C ILE C 35 94.441 10.918 -12.351 1.00 0.00 C ATOM 1111 O ILE C 35 94.409 11.433 -13.469 1.00 0.00 O ATOM 1112 CB ILE C 35 93.275 12.299 -10.623 1.00 0.00 C ATOM 1113 CG1 ILE C 35 94.397 12.228 -9.584 1.00 0.00 C ATOM 1114 CG2 ILE C 35 91.936 12.513 -9.916 1.00 0.00 C ATOM 1115 CD1 ILE C 35 94.561 13.597 -8.921 1.00 0.00 C ATOM 0 H ILE C 35 93.381 10.054 -9.541 1.00 0.00 H new ATOM 0 HA ILE C 35 92.327 10.976 -12.031 1.00 0.00 H new ATOM 0 HB ILE C 35 93.464 13.131 -11.302 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.165 11.473 -8.833 1.00 0.00 H new ATOM 0 HG13 ILE C 35 95.330 11.928 -10.060 1.00 0.00 H new ATOM 0 HG21 ILE C 35 91.969 13.442 -9.348 1.00 0.00 H new ATOM 0 HG22 ILE C 35 91.138 12.569 -10.657 1.00 0.00 H new ATOM 0 HG23 ILE C 35 91.745 11.680 -9.239 1.00 0.00 H new ATOM 0 HD11 ILE C 35 95.359 13.549 -8.181 1.00 0.00 H new ATOM 0 HD12 ILE C 35 94.812 14.340 -9.678 1.00 0.00 H new ATOM 0 HD13 ILE C 35 93.629 13.878 -8.432 1.00 0.00 H new ATOM 1127 N LEU C 36 95.490 10.298 -11.887 1.00 0.00 N ATOM 1128 CA LEU C 36 96.713 10.173 -12.677 1.00 0.00 C ATOM 1129 C LEU C 36 96.466 9.421 -13.986 1.00 0.00 C ATOM 1130 O LEU C 36 97.121 9.693 -14.992 1.00 0.00 O ATOM 1131 CB LEU C 36 97.782 9.431 -11.857 1.00 0.00 C ATOM 1132 CG LEU C 36 99.131 9.405 -12.602 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.779 10.799 -12.590 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.059 8.399 -11.911 1.00 0.00 C ATOM 0 H LEU C 36 95.536 9.865 -10.964 1.00 0.00 H new ATOM 0 HA LEU C 36 97.056 11.178 -12.924 1.00 0.00 H new ATOM 0 HB2 LEU C 36 97.906 9.918 -10.890 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.451 8.411 -11.660 1.00 0.00 H new ATOM 0 HG LEU C 36 98.964 9.111 -13.638 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.731 10.762 -13.120 1.00 0.00 H new ATOM 0 HD12 LEU C 36 99.117 11.512 -13.081 1.00 0.00 H new ATOM 0 HD13 LEU C 36 99.949 11.112 -11.560 1.00 0.00 H new ATOM 0 HD21 LEU C 36 101.017 8.372 -12.430 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.216 8.700 -10.875 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.605 7.408 -11.936 1.00 0.00 H new ATOM 1146 N HIS C 37 95.553 8.488 -13.973 1.00 0.00 N ATOM 1147 CA HIS C 37 95.268 7.710 -15.179 1.00 0.00 C ATOM 1148 C HIS C 37 94.536 8.530 -16.243 1.00 0.00 C ATOM 1149 O HIS C 37 94.687 8.271 -17.437 1.00 0.00 O ATOM 1150 CB HIS C 37 94.475 6.438 -14.831 1.00 0.00 C ATOM 1151 CG HIS C 37 93.027 6.746 -14.536 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.252 7.572 -15.336 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.192 6.309 -13.536 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.014 7.606 -14.809 1.00 0.00 C ATOM 1155 NE2 HIS C 37 90.924 6.853 -13.711 1.00 0.00 N ATOM 0 H HIS C 37 94.992 8.239 -13.158 1.00 0.00 H new ATOM 0 HA HIS C 37 96.228 7.420 -15.605 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.535 5.733 -15.660 1.00 0.00 H new ATOM 0 HB3 HIS C 37 94.927 5.952 -13.966 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.477 5.643 -12.735 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.194 8.173 -15.224 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.102 6.708 -13.126 1.00 0.00 H new ATOM 1164 N PHE C 38 93.743 9.484 -15.827 1.00 0.00 N ATOM 1165 CA PHE C 38 92.993 10.291 -16.789 1.00 0.00 C ATOM 1166 C PHE C 38 93.922 11.077 -17.713 1.00 0.00 C ATOM 1167 O PHE C 38 93.765 11.037 -18.932 1.00 0.00 O ATOM 1168 CB PHE C 38 92.061 11.265 -16.064 1.00 0.00 C ATOM 1169 CG PHE C 38 91.252 12.026 -17.090 1.00 0.00 C ATOM 1170 CD1 PHE C 38 91.816 13.127 -17.746 1.00 0.00 C ATOM 1171 CD2 PHE C 38 89.942 11.626 -17.395 1.00 0.00 C ATOM 1172 CE1 PHE C 38 91.074 13.827 -18.704 1.00 0.00 C ATOM 1173 CE2 PHE C 38 89.202 12.329 -18.354 1.00 0.00 C ATOM 1174 CZ PHE C 38 89.768 13.428 -19.008 1.00 0.00 C ATOM 0 H PHE C 38 93.593 9.728 -14.848 1.00 0.00 H new ATOM 0 HA PHE C 38 92.404 9.602 -17.395 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.399 10.722 -15.390 1.00 0.00 H new ATOM 0 HB3 PHE C 38 92.641 11.957 -15.453 1.00 0.00 H new ATOM 0 HD1 PHE C 38 92.824 13.436 -17.513 1.00 0.00 H new ATOM 0 HD2 PHE C 38 89.505 10.777 -16.891 1.00 0.00 H new ATOM 0 HE1 PHE C 38 91.510 14.676 -19.209 1.00 0.00 H new ATOM 0 HE2 PHE C 38 88.193 12.022 -18.589 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.197 13.969 -19.748 1.00 0.00 H new ATOM 1184 N ILE C 39 94.862 11.789 -17.150 1.00 0.00 N ATOM 1185 CA ILE C 39 95.780 12.580 -17.966 1.00 0.00 C ATOM 1186 C ILE C 39 96.608 11.675 -18.865 1.00 0.00 C ATOM 1187 O ILE C 39 96.998 12.066 -19.959 1.00 0.00 O ATOM 1188 CB ILE C 39 96.705 13.420 -17.076 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.719 14.195 -17.938 1.00 0.00 C ATOM 1190 CG2 ILE C 39 97.465 12.500 -16.119 1.00 0.00 C ATOM 1191 CD1 ILE C 39 96.995 15.029 -19.003 1.00 0.00 C ATOM 0 H ILE C 39 95.021 11.846 -16.144 1.00 0.00 H new ATOM 0 HA ILE C 39 95.189 13.251 -18.590 1.00 0.00 H new ATOM 0 HB ILE C 39 96.099 14.129 -16.512 1.00 0.00 H new ATOM 0 HG12 ILE C 39 98.320 14.847 -17.304 1.00 0.00 H new ATOM 0 HG13 ILE C 39 98.405 13.497 -18.419 1.00 0.00 H new ATOM 0 HG21 ILE C 39 98.122 13.096 -15.486 1.00 0.00 H new ATOM 0 HG22 ILE C 39 96.755 11.958 -15.495 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.060 11.790 -16.693 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.728 15.569 -19.602 1.00 0.00 H new ATOM 0 HD12 ILE C 39 96.414 14.370 -19.648 1.00 0.00 H new ATOM 0 HD13 ILE C 39 96.328 15.741 -18.516 1.00 0.00 H new ATOM 1203 N ALA C 40 96.863 10.482 -18.415 1.00 0.00 N ATOM 1204 CA ALA C 40 97.628 9.541 -19.213 1.00 0.00 C ATOM 1205 C ALA C 40 96.784 9.040 -20.383 1.00 0.00 C ATOM 1206 O ALA C 40 97.305 8.705 -21.441 1.00 0.00 O ATOM 1207 CB ALA C 40 98.074 8.357 -18.353 1.00 0.00 C ATOM 0 H ALA C 40 96.560 10.129 -17.507 1.00 0.00 H new ATOM 0 HA ALA C 40 98.511 10.049 -19.600 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.647 7.659 -18.964 1.00 0.00 H new ATOM 0 HB2 ALA C 40 98.696 8.717 -17.533 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.198 7.851 -17.948 1.00 0.00 H new ATOM 1213 N TRP C 41 95.499 8.958 -20.161 1.00 0.00 N ATOM 1214 CA TRP C 41 94.564 8.453 -21.160 1.00 0.00 C ATOM 1215 C TRP C 41 94.765 9.105 -22.526 1.00 0.00 C ATOM 1216 O TRP C 41 94.891 8.417 -23.539 1.00 0.00 O ATOM 1217 CB TRP C 41 93.152 8.743 -20.659 1.00 0.00 C ATOM 1218 CG TRP C 41 92.158 7.977 -21.455 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.866 8.198 -22.752 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.317 6.875 -21.020 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.893 7.291 -23.150 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.522 6.453 -22.111 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.171 6.207 -19.793 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.611 5.399 -21.984 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.259 5.151 -19.661 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.481 4.748 -20.753 1.00 0.00 C ATOM 0 H TRP C 41 95.059 9.237 -19.284 1.00 0.00 H new ATOM 0 HA TRP C 41 94.733 7.384 -21.292 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.070 8.475 -19.606 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.944 9.810 -20.733 1.00 0.00 H new ATOM 0 HD1 TRP C 41 92.315 8.955 -23.378 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.500 7.247 -24.090 1.00 0.00 H new ATOM 0 HE3 TRP C 41 91.766 6.510 -18.944 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 89.013 5.091 -22.829 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.156 4.646 -18.712 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.780 3.934 -20.645 1.00 0.00 H new ATOM 1237 N THR C 42 94.787 10.402 -22.547 1.00 0.00 N ATOM 1238 CA THR C 42 94.963 11.138 -23.794 1.00 0.00 C ATOM 1239 C THR C 42 96.193 10.660 -24.565 1.00 0.00 C ATOM 1240 O THR C 42 96.238 10.781 -25.789 1.00 0.00 O ATOM 1241 CB THR C 42 95.083 12.640 -23.520 1.00 0.00 C ATOM 1242 OG1 THR C 42 95.769 13.264 -24.597 1.00 0.00 O ATOM 1243 CG2 THR C 42 95.859 12.855 -22.229 1.00 0.00 C ATOM 0 H THR C 42 94.686 10.989 -21.719 1.00 0.00 H new ATOM 0 HA THR C 42 94.081 10.949 -24.406 1.00 0.00 H new ATOM 0 HB THR C 42 94.088 13.076 -23.424 1.00 0.00 H new ATOM 0 HG1 THR C 42 95.845 14.225 -24.423 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.946 13.923 -22.031 1.00 0.00 H new ATOM 0 HG22 THR C 42 95.333 12.375 -21.404 1.00 0.00 H new ATOM 0 HG23 THR C 42 96.854 12.421 -22.326 1.00 0.00 H new ATOM 1251 N ILE C 43 97.186 10.141 -23.879 1.00 0.00 N ATOM 1252 CA ILE C 43 98.399 9.681 -24.554 1.00 0.00 C ATOM 1253 C ILE C 43 98.121 8.414 -25.382 1.00 0.00 C ATOM 1254 O ILE C 43 98.573 8.305 -26.518 1.00 0.00 O ATOM 1255 CB ILE C 43 99.521 9.448 -23.493 1.00 0.00 C ATOM 1256 CG1 ILE C 43 100.873 9.947 -24.027 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.659 7.961 -23.121 1.00 0.00 C ATOM 1258 CD1 ILE C 43 101.965 9.722 -22.973 1.00 0.00 C ATOM 0 H ILE C 43 97.188 10.024 -22.866 1.00 0.00 H new ATOM 0 HA ILE C 43 98.738 10.445 -25.254 1.00 0.00 H new ATOM 0 HB ILE C 43 99.236 10.007 -22.602 1.00 0.00 H new ATOM 0 HG12 ILE C 43 101.128 9.419 -24.946 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.807 11.006 -24.275 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.450 7.843 -22.381 1.00 0.00 H new ATOM 0 HG22 ILE C 43 98.717 7.601 -22.707 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.907 7.385 -24.012 1.00 0.00 H new ATOM 0 HD11 ILE C 43 102.921 10.078 -23.358 1.00 0.00 H new ATOM 0 HD12 ILE C 43 101.713 10.270 -22.065 1.00 0.00 H new ATOM 0 HD13 ILE C 43 102.038 8.658 -22.746 1.00 0.00 H new ATOM 1270 N GLY C 44 97.396 7.486 -24.809 1.00 0.00 N ATOM 1271 CA GLY C 44 97.057 6.231 -25.491 1.00 0.00 C ATOM 1272 C GLY C 44 96.033 6.453 -26.600 1.00 0.00 C ATOM 1273 O GLY C 44 95.993 5.713 -27.583 1.00 0.00 O ATOM 0 H GLY C 44 97.020 7.564 -23.864 1.00 0.00 H new ATOM 0 HA2 GLY C 44 97.960 5.790 -25.912 1.00 0.00 H new ATOM 0 HA3 GLY C 44 96.662 5.518 -24.767 1.00 0.00 H new ATOM 1277 N HIS C 45 95.218 7.446 -26.424 1.00 0.00 N ATOM 1278 CA HIS C 45 94.180 7.762 -27.398 1.00 0.00 C ATOM 1279 C HIS C 45 94.750 7.963 -28.811 1.00 0.00 C ATOM 1280 O HIS C 45 94.043 7.771 -29.800 1.00 0.00 O ATOM 1281 CB HIS C 45 93.427 9.020 -26.975 1.00 0.00 C ATOM 1282 CG HIS C 45 92.294 9.248 -27.934 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.389 10.132 -28.996 1.00 0.00 N ATOM 1284 CD2 HIS C 45 91.041 8.694 -28.017 1.00 0.00 C ATOM 1285 CE1 HIS C 45 91.224 10.083 -29.669 1.00 0.00 C ATOM 1286 NE2 HIS C 45 90.368 9.222 -29.114 1.00 0.00 N ATOM 0 H HIS C 45 95.240 8.065 -25.614 1.00 0.00 H new ATOM 0 HA HIS C 45 93.500 6.910 -27.428 1.00 0.00 H new ATOM 0 HB2 HIS C 45 93.046 8.909 -25.960 1.00 0.00 H new ATOM 0 HB3 HIS C 45 94.098 9.879 -26.972 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.639 7.960 -27.335 1.00 0.00 H new ATOM 0 HE1 HIS C 45 91.008 10.669 -30.550 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.423 8.999 -29.427 1.00 0.00 H new ATOM 1295 N LEU C 46 95.980 8.402 -28.901 1.00 0.00 N ATOM 1296 CA LEU C 46 96.589 8.689 -30.206 1.00 0.00 C ATOM 1297 C LEU C 46 96.338 7.585 -31.235 1.00 0.00 C ATOM 1298 O LEU C 46 96.262 7.873 -32.430 1.00 0.00 O ATOM 1299 CB LEU C 46 98.109 9.018 -30.075 1.00 0.00 C ATOM 1300 CG LEU C 46 99.054 7.784 -29.845 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.446 6.739 -28.897 1.00 0.00 C ATOM 1302 CD2 LEU C 46 99.447 7.109 -31.175 1.00 0.00 C ATOM 0 H LEU C 46 96.589 8.572 -28.100 1.00 0.00 H new ATOM 0 HA LEU C 46 96.090 9.581 -30.585 1.00 0.00 H new ATOM 0 HB2 LEU C 46 98.430 9.535 -30.980 1.00 0.00 H new ATOM 0 HB3 LEU C 46 98.242 9.714 -29.246 1.00 0.00 H new ATOM 0 HG LEU C 46 99.950 8.185 -29.372 1.00 0.00 H new ATOM 0 HD11 LEU C 46 99.142 5.909 -28.775 1.00 0.00 H new ATOM 0 HD12 LEU C 46 98.253 7.197 -27.927 1.00 0.00 H new ATOM 0 HD13 LEU C 46 97.510 6.369 -29.316 1.00 0.00 H new ATOM 0 HD21 LEU C 46 100.101 6.260 -30.973 1.00 0.00 H new ATOM 0 HD22 LEU C 46 98.549 6.762 -31.686 1.00 0.00 H new ATOM 0 HD23 LEU C 46 99.970 7.827 -31.807 1.00 0.00 H new ATOM 1314 N ASN C 47 96.210 6.357 -30.819 1.00 0.00 N ATOM 1315 CA ASN C 47 95.969 5.286 -31.792 1.00 0.00 C ATOM 1316 C ASN C 47 94.596 5.440 -32.469 1.00 0.00 C ATOM 1317 O ASN C 47 94.497 5.417 -33.693 1.00 0.00 O ATOM 1318 CB ASN C 47 96.042 3.922 -31.100 1.00 0.00 C ATOM 1319 CG ASN C 47 97.473 3.642 -30.651 1.00 0.00 C ATOM 1320 OD1 ASN C 47 98.376 3.540 -31.481 1.00 0.00 O ATOM 1321 ND2 ASN C 47 97.736 3.506 -29.380 1.00 0.00 N ATOM 0 H ASN C 47 96.264 6.060 -29.845 1.00 0.00 H new ATOM 0 HA ASN C 47 96.741 5.355 -32.558 1.00 0.00 H new ATOM 0 HB2 ASN C 47 95.372 3.905 -30.240 1.00 0.00 H new ATOM 0 HB3 ASN C 47 95.706 3.140 -31.782 1.00 0.00 H new ATOM 0 HD21 ASN C 47 98.690 3.315 -29.074 1.00 0.00 H new ATOM 0 HD22 ASN C 47 96.987 3.591 -28.692 1.00 0.00 H new ATOM 1328 N GLN C 48 93.560 5.570 -31.683 1.00 0.00 N ATOM 1329 CA GLN C 48 92.210 5.698 -32.222 1.00 0.00 C ATOM 1330 C GLN C 48 92.137 6.732 -33.351 1.00 0.00 C ATOM 1331 O GLN C 48 91.645 6.433 -34.440 1.00 0.00 O ATOM 1332 CB GLN C 48 91.230 6.081 -31.095 1.00 0.00 C ATOM 1333 CG GLN C 48 91.684 5.484 -29.752 1.00 0.00 C ATOM 1334 CD GLN C 48 92.213 4.058 -29.918 1.00 0.00 C ATOM 1335 OE1 GLN C 48 91.664 3.258 -30.787 1.00 0.00 O flip ATOM 1336 NE2 GLN C 48 93.158 3.665 -29.232 1.00 0.00 N flip ATOM 0 H GLN C 48 93.614 5.591 -30.665 1.00 0.00 H new ATOM 0 HA GLN C 48 91.930 4.732 -32.643 1.00 0.00 H new ATOM 0 HB2 GLN C 48 91.168 7.166 -31.014 1.00 0.00 H new ATOM 0 HB3 GLN C 48 90.230 5.722 -31.339 1.00 0.00 H new ATOM 0 HG2 GLN C 48 92.462 6.113 -29.318 1.00 0.00 H new ATOM 0 HG3 GLN C 48 90.848 5.483 -29.053 1.00 0.00 H new ATOM 0 HE21 GLN C 48 93.589 4.290 -28.551 1.00 0.00 H new ATOM 0 HE22 GLN C 48 93.510 2.714 -29.345 1.00 0.00 H new ATOM 1345 N ILE C 49 92.605 7.922 -33.095 1.00 0.00 N ATOM 1346 CA ILE C 49 92.565 8.977 -34.108 1.00 0.00 C ATOM 1347 C ILE C 49 93.343 8.567 -35.357 1.00 0.00 C ATOM 1348 O ILE C 49 92.981 8.948 -36.471 1.00 0.00 O ATOM 1349 CB ILE C 49 93.142 10.276 -33.537 1.00 0.00 C ATOM 1350 CG1 ILE C 49 93.268 11.325 -34.648 1.00 0.00 C ATOM 1351 CG2 ILE C 49 94.517 9.995 -32.938 1.00 0.00 C ATOM 1352 CD1 ILE C 49 93.518 12.701 -34.027 1.00 0.00 C ATOM 0 H ILE C 49 93.019 8.199 -32.205 1.00 0.00 H new ATOM 0 HA ILE C 49 91.524 9.138 -34.390 1.00 0.00 H new ATOM 0 HB ILE C 49 92.476 10.658 -32.763 1.00 0.00 H new ATOM 0 HG12 ILE C 49 94.086 11.063 -35.319 1.00 0.00 H new ATOM 0 HG13 ILE C 49 92.358 11.345 -35.248 1.00 0.00 H new ATOM 0 HG21 ILE C 49 94.932 10.917 -32.530 1.00 0.00 H new ATOM 0 HG22 ILE C 49 94.423 9.256 -32.142 1.00 0.00 H new ATOM 0 HG23 ILE C 49 95.180 9.611 -33.713 1.00 0.00 H new ATOM 0 HD11 ILE C 49 93.607 13.446 -34.817 1.00 0.00 H new ATOM 0 HD12 ILE C 49 92.685 12.962 -33.374 1.00 0.00 H new ATOM 0 HD13 ILE C 49 94.440 12.676 -33.446 1.00 0.00 H new ATOM 1364 N LYS C 50 94.388 7.807 -35.178 1.00 0.00 N ATOM 1365 CA LYS C 50 95.195 7.366 -36.311 1.00 0.00 C ATOM 1366 C LYS C 50 94.349 6.539 -37.276 1.00 0.00 C ATOM 1367 O LYS C 50 94.484 6.658 -38.493 1.00 0.00 O ATOM 1368 CB LYS C 50 96.385 6.530 -35.821 1.00 0.00 C ATOM 1369 CG LYS C 50 97.372 6.266 -36.975 1.00 0.00 C ATOM 1370 CD LYS C 50 98.345 7.442 -37.126 1.00 0.00 C ATOM 1371 CE LYS C 50 99.388 7.100 -38.190 1.00 0.00 C ATOM 1372 NZ LYS C 50 100.328 8.244 -38.350 1.00 0.00 N ATOM 0 H LYS C 50 94.710 7.475 -34.269 1.00 0.00 H new ATOM 0 HA LYS C 50 95.568 8.248 -36.832 1.00 0.00 H new ATOM 0 HB2 LYS C 50 96.895 7.052 -35.011 1.00 0.00 H new ATOM 0 HB3 LYS C 50 96.029 5.583 -35.415 1.00 0.00 H new ATOM 0 HG2 LYS C 50 97.928 5.348 -36.784 1.00 0.00 H new ATOM 0 HG3 LYS C 50 96.823 6.118 -37.905 1.00 0.00 H new ATOM 0 HD2 LYS C 50 97.802 8.344 -37.409 1.00 0.00 H new ATOM 0 HD3 LYS C 50 98.834 7.649 -36.174 1.00 0.00 H new ATOM 0 HE2 LYS C 50 99.936 6.203 -37.902 1.00 0.00 H new ATOM 0 HE3 LYS C 50 98.897 6.883 -39.139 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 101.237 7.897 -38.717 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 99.926 8.933 -39.017 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 100.479 8.701 -37.428 1.00 0.00 H new ATOM 1386 N ARG C 51 93.492 5.716 -36.735 1.00 0.00 N ATOM 1387 CA ARG C 51 92.633 4.876 -37.562 1.00 0.00 C ATOM 1388 C ARG C 51 91.938 5.716 -38.628 1.00 0.00 C ATOM 1389 O ARG C 51 91.415 6.792 -38.341 1.00 0.00 O ATOM 1390 CB ARG C 51 91.585 4.175 -36.685 1.00 0.00 C ATOM 1391 CG ARG C 51 90.730 3.196 -37.533 1.00 0.00 C ATOM 1392 CD ARG C 51 89.379 3.831 -37.894 1.00 0.00 C ATOM 1393 NE ARG C 51 88.629 4.142 -36.683 1.00 0.00 N ATOM 1394 CZ ARG C 51 87.393 4.556 -36.742 1.00 0.00 C ATOM 1395 NH1 ARG C 51 86.806 4.697 -37.899 1.00 0.00 N ATOM 1396 NH2 ARG C 51 86.743 4.828 -35.644 1.00 0.00 N ATOM 0 H ARG C 51 93.362 5.601 -35.730 1.00 0.00 H new ATOM 0 HA ARG C 51 93.249 4.124 -38.054 1.00 0.00 H new ATOM 0 HB2 ARG C 51 92.081 3.631 -35.881 1.00 0.00 H new ATOM 0 HB3 ARG C 51 90.940 4.918 -36.216 1.00 0.00 H new ATOM 0 HG2 ARG C 51 91.268 2.930 -38.443 1.00 0.00 H new ATOM 0 HG3 ARG C 51 90.567 2.272 -36.978 1.00 0.00 H new ATOM 0 HD2 ARG C 51 89.540 4.740 -38.474 1.00 0.00 H new ATOM 0 HD3 ARG C 51 88.805 3.149 -38.521 1.00 0.00 H new ATOM 0 HE ARG C 51 89.078 4.034 -35.774 1.00 0.00 H new ATOM 0 HH11 ARG C 51 87.313 4.484 -38.758 1.00 0.00 H new ATOM 0 HH12 ARG C 51 85.840 5.021 -37.945 1.00 0.00 H new ATOM 0 HH21 ARG C 51 87.201 4.717 -34.739 1.00 0.00 H new ATOM 0 HH22 ARG C 51 85.777 5.152 -35.690 1.00 0.00 H new ATOM 1410 N GLY C 52 91.939 5.226 -39.838 1.00 0.00 N ATOM 1411 CA GLY C 52 91.306 5.940 -40.941 1.00 0.00 C ATOM 1412 C GLY C 52 92.114 7.173 -41.327 1.00 0.00 C ATOM 0 H GLY C 52 92.367 4.337 -40.097 1.00 0.00 H new ATOM 0 HA2 GLY C 52 91.212 5.278 -41.802 1.00 0.00 H new ATOM 0 HA3 GLY C 52 90.297 6.237 -40.656 1.00 0.00 H new TER 1416 GLY C 52 ATOM 1417 N SER D 23 86.136 -3.619 11.253 1.00 0.00 N ATOM 1418 CA SER D 23 85.893 -3.257 9.827 1.00 0.00 C ATOM 1419 C SER D 23 87.055 -3.753 8.975 1.00 0.00 C ATOM 1420 O SER D 23 88.218 -3.611 9.352 1.00 0.00 O ATOM 1421 CB SER D 23 85.765 -1.737 9.708 1.00 0.00 C ATOM 1422 OG SER D 23 85.191 -1.412 8.448 1.00 0.00 O ATOM 0 HA SER D 23 84.971 -3.722 9.477 1.00 0.00 H new ATOM 0 HB2 SER D 23 85.144 -1.348 10.515 1.00 0.00 H new ATOM 0 HB3 SER D 23 86.745 -1.269 9.806 1.00 0.00 H new ATOM 0 HG SER D 23 85.106 -0.439 8.369 1.00 0.00 H new ATOM 1427 N ASP D 24 86.738 -4.331 7.847 1.00 0.00 N ATOM 1428 CA ASP D 24 87.759 -4.854 6.948 1.00 0.00 C ATOM 1429 C ASP D 24 88.333 -3.721 6.089 1.00 0.00 C ATOM 1430 O ASP D 24 87.578 -3.097 5.353 1.00 0.00 O ATOM 1431 CB ASP D 24 87.131 -5.909 6.031 1.00 0.00 C ATOM 1432 CG ASP D 24 88.148 -6.372 4.994 1.00 0.00 C ATOM 1433 OD1 ASP D 24 89.151 -6.941 5.389 1.00 0.00 O ATOM 1434 OD2 ASP D 24 87.908 -6.152 3.818 1.00 0.00 O ATOM 0 H ASP D 24 85.780 -4.457 7.519 1.00 0.00 H new ATOM 0 HA ASP D 24 88.560 -5.300 7.538 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.789 -6.759 6.622 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.255 -5.494 5.533 1.00 0.00 H new ATOM 1439 N PRO D 25 89.627 -3.438 6.160 1.00 0.00 N ATOM 1440 CA PRO D 25 90.267 -2.349 5.348 1.00 0.00 C ATOM 1441 C PRO D 25 89.773 -2.298 3.900 1.00 0.00 C ATOM 1442 O PRO D 25 90.490 -2.670 2.973 1.00 0.00 O ATOM 1443 CB PRO D 25 91.753 -2.707 5.407 1.00 0.00 C ATOM 1444 CG PRO D 25 91.930 -3.349 6.741 1.00 0.00 C ATOM 1445 CD PRO D 25 90.628 -4.109 7.022 1.00 0.00 C ATOM 0 HA PRO D 25 90.029 -1.360 5.740 1.00 0.00 H new ATOM 0 HB2 PRO D 25 92.030 -3.385 4.600 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.379 -1.820 5.307 1.00 0.00 H new ATOM 0 HG2 PRO D 25 92.784 -4.026 6.737 1.00 0.00 H new ATOM 0 HG3 PRO D 25 92.119 -2.602 7.511 1.00 0.00 H new ATOM 0 HD2 PRO D 25 90.722 -5.167 6.775 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.351 -4.051 8.075 1.00 0.00 H new ATOM 1453 N LEU D 26 88.566 -1.843 3.723 1.00 0.00 N ATOM 1454 CA LEU D 26 87.980 -1.744 2.393 1.00 0.00 C ATOM 1455 C LEU D 26 88.731 -0.697 1.563 1.00 0.00 C ATOM 1456 O LEU D 26 88.985 -0.893 0.375 1.00 0.00 O ATOM 1457 CB LEU D 26 86.487 -1.367 2.528 1.00 0.00 C ATOM 1458 CG LEU D 26 85.640 -2.068 1.445 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.302 -3.497 1.888 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.334 -1.290 1.229 1.00 0.00 C ATOM 0 H LEU D 26 87.956 -1.530 4.479 1.00 0.00 H new ATOM 0 HA LEU D 26 88.062 -2.703 1.881 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.125 -1.649 3.517 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.372 -0.287 2.442 1.00 0.00 H new ATOM 0 HG LEU D 26 86.210 -2.100 0.517 1.00 0.00 H new ATOM 0 HD11 LEU D 26 84.704 -3.985 1.118 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.224 -4.058 2.041 1.00 0.00 H new ATOM 0 HD13 LEU D 26 84.737 -3.465 2.820 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.737 -1.786 0.464 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.772 -1.256 2.162 1.00 0.00 H new ATOM 0 HD23 LEU D 26 84.564 -0.274 0.907 1.00 0.00 H new ATOM 1472 N VAL D 27 89.052 0.403 2.191 1.00 0.00 N ATOM 1473 CA VAL D 27 89.749 1.497 1.519 1.00 0.00 C ATOM 1474 C VAL D 27 91.091 1.059 0.922 1.00 0.00 C ATOM 1475 O VAL D 27 91.356 1.320 -0.251 1.00 0.00 O ATOM 1476 CB VAL D 27 89.984 2.636 2.524 1.00 0.00 C ATOM 1477 CG1 VAL D 27 90.860 3.729 1.900 1.00 0.00 C ATOM 1478 CG2 VAL D 27 88.637 3.240 2.929 1.00 0.00 C ATOM 0 H VAL D 27 88.845 0.577 3.175 1.00 0.00 H new ATOM 0 HA VAL D 27 89.121 1.832 0.694 1.00 0.00 H new ATOM 0 HB VAL D 27 90.492 2.233 3.400 1.00 0.00 H new ATOM 0 HG11 VAL D 27 91.017 4.528 2.625 1.00 0.00 H new ATOM 0 HG12 VAL D 27 91.822 3.305 1.614 1.00 0.00 H new ATOM 0 HG13 VAL D 27 90.364 4.132 1.017 1.00 0.00 H new ATOM 0 HG21 VAL D 27 88.800 4.048 3.642 1.00 0.00 H new ATOM 0 HG22 VAL D 27 88.133 3.632 2.045 1.00 0.00 H new ATOM 0 HG23 VAL D 27 88.017 2.471 3.389 1.00 0.00 H new ATOM 1488 N VAL D 28 91.926 0.416 1.698 1.00 0.00 N ATOM 1489 CA VAL D 28 93.234 -0.031 1.210 1.00 0.00 C ATOM 1490 C VAL D 28 93.118 -1.218 0.247 1.00 0.00 C ATOM 1491 O VAL D 28 93.994 -1.437 -0.590 1.00 0.00 O ATOM 1492 CB VAL D 28 94.134 -0.401 2.401 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.761 -1.786 2.937 1.00 0.00 C ATOM 1494 CG2 VAL D 28 95.600 -0.411 1.957 1.00 0.00 C ATOM 0 H VAL D 28 91.736 0.184 2.673 1.00 0.00 H new ATOM 0 HA VAL D 28 93.679 0.794 0.653 1.00 0.00 H new ATOM 0 HB VAL D 28 93.992 0.339 3.189 1.00 0.00 H new ATOM 0 HG11 VAL D 28 94.406 -2.036 3.780 1.00 0.00 H new ATOM 0 HG12 VAL D 28 92.721 -1.782 3.264 1.00 0.00 H new ATOM 0 HG13 VAL D 28 93.890 -2.528 2.149 1.00 0.00 H new ATOM 0 HG21 VAL D 28 96.235 -0.674 2.803 1.00 0.00 H new ATOM 0 HG22 VAL D 28 95.734 -1.144 1.162 1.00 0.00 H new ATOM 0 HG23 VAL D 28 95.876 0.578 1.590 1.00 0.00 H new ATOM 1504 N ALA D 29 92.068 -1.976 0.393 1.00 0.00 N ATOM 1505 CA ALA D 29 91.859 -3.155 -0.446 1.00 0.00 C ATOM 1506 C ALA D 29 91.735 -2.785 -1.924 1.00 0.00 C ATOM 1507 O ALA D 29 92.245 -3.492 -2.789 1.00 0.00 O ATOM 1508 CB ALA D 29 90.594 -3.889 0.004 1.00 0.00 C ATOM 0 H ALA D 29 91.334 -1.810 1.082 1.00 0.00 H new ATOM 0 HA ALA D 29 92.729 -3.802 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA D 29 90.440 -4.767 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA D 29 90.704 -4.200 1.043 1.00 0.00 H new ATOM 0 HB3 ALA D 29 89.735 -3.224 -0.087 1.00 0.00 H new ATOM 1514 N ALA D 30 91.069 -1.700 -2.201 1.00 0.00 N ATOM 1515 CA ALA D 30 90.909 -1.280 -3.585 1.00 0.00 C ATOM 1516 C ALA D 30 92.230 -0.746 -4.144 1.00 0.00 C ATOM 1517 O ALA D 30 92.691 -1.171 -5.204 1.00 0.00 O ATOM 1518 CB ALA D 30 89.845 -0.207 -3.657 1.00 0.00 C ATOM 0 H ALA D 30 90.631 -1.092 -1.509 1.00 0.00 H new ATOM 0 HA ALA D 30 90.608 -2.138 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.720 0.112 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.901 -0.605 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA D 30 90.146 0.645 -3.048 1.00 0.00 H new ATOM 1524 N SER D 31 92.803 0.187 -3.435 1.00 0.00 N ATOM 1525 CA SER D 31 94.058 0.825 -3.834 1.00 0.00 C ATOM 1526 C SER D 31 95.150 -0.183 -4.205 1.00 0.00 C ATOM 1527 O SER D 31 96.033 0.115 -5.011 1.00 0.00 O ATOM 1528 CB SER D 31 94.557 1.677 -2.677 1.00 0.00 C ATOM 1529 OG SER D 31 95.703 2.410 -3.087 1.00 0.00 O ATOM 0 H SER D 31 92.422 0.538 -2.557 1.00 0.00 H new ATOM 0 HA SER D 31 93.852 1.424 -4.721 1.00 0.00 H new ATOM 0 HB2 SER D 31 93.773 2.360 -2.350 1.00 0.00 H new ATOM 0 HB3 SER D 31 94.803 1.043 -1.825 1.00 0.00 H new ATOM 0 HG SER D 31 96.023 2.960 -2.342 1.00 0.00 H new ATOM 1535 N ILE D 32 95.093 -1.341 -3.620 1.00 0.00 N ATOM 1536 CA ILE D 32 96.102 -2.361 -3.900 1.00 0.00 C ATOM 1537 C ILE D 32 96.112 -2.689 -5.397 1.00 0.00 C ATOM 1538 O ILE D 32 97.164 -2.931 -5.984 1.00 0.00 O ATOM 1539 CB ILE D 32 95.853 -3.620 -3.029 1.00 0.00 C ATOM 1540 CG1 ILE D 32 97.186 -4.310 -2.685 1.00 0.00 C ATOM 1541 CG2 ILE D 32 94.939 -4.619 -3.747 1.00 0.00 C ATOM 1542 CD1 ILE D 32 97.983 -4.609 -3.960 1.00 0.00 C ATOM 0 H ILE D 32 94.374 -1.617 -2.951 1.00 0.00 H new ATOM 0 HA ILE D 32 97.088 -1.978 -3.639 1.00 0.00 H new ATOM 0 HB ILE D 32 95.364 -3.292 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE D 32 97.772 -3.671 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE D 32 96.993 -5.237 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE D 32 94.783 -5.491 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE D 32 93.979 -4.147 -3.958 1.00 0.00 H new ATOM 0 HG23 ILE D 32 95.404 -4.930 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE D 32 98.922 -5.096 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE D 32 97.402 -5.266 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE D 32 98.193 -3.677 -4.485 1.00 0.00 H new ATOM 1554 N ILE D 33 94.957 -2.686 -5.999 1.00 0.00 N ATOM 1555 CA ILE D 33 94.856 -2.980 -7.424 1.00 0.00 C ATOM 1556 C ILE D 33 95.457 -1.854 -8.263 1.00 0.00 C ATOM 1557 O ILE D 33 95.938 -2.088 -9.373 1.00 0.00 O ATOM 1558 CB ILE D 33 93.391 -3.170 -7.819 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.704 -4.072 -6.789 1.00 0.00 C ATOM 1560 CG2 ILE D 33 93.315 -3.821 -9.203 1.00 0.00 C ATOM 1561 CD1 ILE D 33 91.294 -4.423 -7.267 1.00 0.00 C ATOM 0 H ILE D 33 94.069 -2.486 -5.539 1.00 0.00 H new ATOM 0 HA ILE D 33 95.414 -3.897 -7.615 1.00 0.00 H new ATOM 0 HB ILE D 33 92.891 -2.202 -7.848 1.00 0.00 H new ATOM 0 HG12 ILE D 33 93.286 -4.982 -6.644 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.656 -3.567 -5.824 1.00 0.00 H new ATOM 0 HG21 ILE D 33 92.271 -3.956 -9.485 1.00 0.00 H new ATOM 0 HG22 ILE D 33 93.808 -3.180 -9.934 1.00 0.00 H new ATOM 0 HG23 ILE D 33 93.812 -4.791 -9.177 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.810 -5.065 -6.531 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.713 -3.509 -7.390 1.00 0.00 H new ATOM 0 HD13 ILE D 33 91.353 -4.946 -8.221 1.00 0.00 H new ATOM 1573 N GLY D 34 95.368 -0.645 -7.776 1.00 0.00 N ATOM 1574 CA GLY D 34 95.838 0.516 -8.526 1.00 0.00 C ATOM 1575 C GLY D 34 97.217 0.327 -9.155 1.00 0.00 C ATOM 1576 O GLY D 34 97.408 0.671 -10.322 1.00 0.00 O ATOM 0 H GLY D 34 94.975 -0.426 -6.861 1.00 0.00 H new ATOM 0 HA2 GLY D 34 95.119 0.744 -9.312 1.00 0.00 H new ATOM 0 HA3 GLY D 34 95.868 1.379 -7.861 1.00 0.00 H new ATOM 1580 N ILE D 35 98.162 -0.187 -8.424 1.00 0.00 N ATOM 1581 CA ILE D 35 99.498 -0.366 -8.993 1.00 0.00 C ATOM 1582 C ILE D 35 99.474 -1.371 -10.147 1.00 0.00 C ATOM 1583 O ILE D 35 100.278 -1.280 -11.075 1.00 0.00 O ATOM 1584 CB ILE D 35 100.490 -0.814 -7.921 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.990 -2.091 -7.246 1.00 0.00 C ATOM 1586 CG2 ILE D 35 100.633 0.293 -6.873 1.00 0.00 C ATOM 1587 CD1 ILE D 35 101.106 -2.678 -6.380 1.00 0.00 C ATOM 0 H ILE D 35 98.055 -0.488 -7.455 1.00 0.00 H new ATOM 0 HA ILE D 35 99.823 0.598 -9.385 1.00 0.00 H new ATOM 0 HB ILE D 35 101.456 -1.012 -8.385 1.00 0.00 H new ATOM 0 HG12 ILE D 35 99.115 -1.873 -6.633 1.00 0.00 H new ATOM 0 HG13 ILE D 35 99.679 -2.816 -7.999 1.00 0.00 H new ATOM 0 HG21 ILE D 35 101.340 -0.022 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.998 1.202 -7.351 1.00 0.00 H new ATOM 0 HG23 ILE D 35 99.663 0.488 -6.415 1.00 0.00 H new ATOM 0 HD11 ILE D 35 100.751 -3.589 -5.898 1.00 0.00 H new ATOM 0 HD12 ILE D 35 101.968 -2.911 -7.006 1.00 0.00 H new ATOM 0 HD13 ILE D 35 101.395 -1.953 -5.619 1.00 0.00 H new ATOM 1599 N LEU D 36 98.565 -2.304 -10.085 1.00 0.00 N ATOM 1600 CA LEU D 36 98.444 -3.318 -11.133 1.00 0.00 C ATOM 1601 C LEU D 36 98.135 -2.669 -12.485 1.00 0.00 C ATOM 1602 O LEU D 36 98.781 -2.959 -13.492 1.00 0.00 O ATOM 1603 CB LEU D 36 97.315 -4.294 -10.767 1.00 0.00 C ATOM 1604 CG LEU D 36 97.409 -5.575 -11.621 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.394 -6.568 -10.988 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.025 -6.235 -11.709 1.00 0.00 C ATOM 0 H LEU D 36 97.890 -2.396 -9.326 1.00 0.00 H new ATOM 0 HA LEU D 36 99.391 -3.852 -11.212 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.376 -4.550 -9.709 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.348 -3.816 -10.924 1.00 0.00 H new ATOM 0 HG LEU D 36 97.760 -5.305 -12.617 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.450 -7.467 -11.602 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.381 -6.111 -10.924 1.00 0.00 H new ATOM 0 HD13 LEU D 36 98.051 -6.833 -9.988 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.091 -7.140 -12.313 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.680 -6.491 -10.707 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.320 -5.543 -12.170 1.00 0.00 H new ATOM 1618 N HIS D 37 97.151 -1.816 -12.486 1.00 0.00 N ATOM 1619 CA HIS D 37 96.751 -1.138 -13.717 1.00 0.00 C ATOM 1620 C HIS D 37 97.819 -0.144 -14.167 1.00 0.00 C ATOM 1621 O HIS D 37 97.986 0.100 -15.363 1.00 0.00 O ATOM 1622 CB HIS D 37 95.387 -0.442 -13.549 1.00 0.00 C ATOM 1623 CG HIS D 37 95.513 0.865 -12.802 1.00 0.00 C ATOM 1624 ND1 HIS D 37 96.472 1.823 -13.105 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.779 1.391 -11.770 1.00 0.00 C ATOM 1626 CE1 HIS D 37 96.289 2.860 -12.269 1.00 0.00 C ATOM 1627 NE2 HIS D 37 95.271 2.649 -11.435 1.00 0.00 N ATOM 0 H HIS D 37 96.605 -1.565 -11.662 1.00 0.00 H new ATOM 0 HA HIS D 37 96.647 -1.895 -14.495 1.00 0.00 H new ATOM 0 HB2 HIS D 37 94.949 -0.259 -14.530 1.00 0.00 H new ATOM 0 HB3 HIS D 37 94.705 -1.103 -13.013 1.00 0.00 H new ATOM 0 HD2 HIS D 37 93.944 0.902 -11.289 1.00 0.00 H new ATOM 0 HE1 HIS D 37 96.893 3.755 -12.273 1.00 0.00 H new ATOM 0 HE2 HIS D 37 94.926 3.275 -10.707 1.00 0.00 H new ATOM 1636 N PHE D 38 98.521 0.425 -13.224 1.00 0.00 N ATOM 1637 CA PHE D 38 99.561 1.401 -13.539 1.00 0.00 C ATOM 1638 C PHE D 38 100.742 0.756 -14.268 1.00 0.00 C ATOM 1639 O PHE D 38 101.228 1.293 -15.263 1.00 0.00 O ATOM 1640 CB PHE D 38 100.060 2.068 -12.255 1.00 0.00 C ATOM 1641 CG PHE D 38 101.141 3.068 -12.595 1.00 0.00 C ATOM 1642 CD1 PHE D 38 102.456 2.631 -12.799 1.00 0.00 C ATOM 1643 CD2 PHE D 38 100.832 4.431 -12.711 1.00 0.00 C ATOM 1644 CE1 PHE D 38 103.459 3.552 -13.117 1.00 0.00 C ATOM 1645 CE2 PHE D 38 101.837 5.352 -13.029 1.00 0.00 C ATOM 1646 CZ PHE D 38 103.151 4.913 -13.233 1.00 0.00 C ATOM 0 H PHE D 38 98.401 0.238 -12.228 1.00 0.00 H new ATOM 0 HA PHE D 38 99.120 2.148 -14.199 1.00 0.00 H new ATOM 0 HB2 PHE D 38 99.235 2.567 -11.747 1.00 0.00 H new ATOM 0 HB3 PHE D 38 100.448 1.316 -11.569 1.00 0.00 H new ATOM 0 HD1 PHE D 38 102.696 1.582 -12.711 1.00 0.00 H new ATOM 0 HD2 PHE D 38 99.819 4.770 -12.555 1.00 0.00 H new ATOM 0 HE1 PHE D 38 104.472 3.213 -13.273 1.00 0.00 H new ATOM 0 HE2 PHE D 38 101.599 6.402 -13.117 1.00 0.00 H new ATOM 0 HZ PHE D 38 103.926 5.623 -13.480 1.00 0.00 H new ATOM 1656 N ILE D 39 101.210 -0.358 -13.773 1.00 0.00 N ATOM 1657 CA ILE D 39 102.351 -1.036 -14.387 1.00 0.00 C ATOM 1658 C ILE D 39 102.016 -1.545 -15.790 1.00 0.00 C ATOM 1659 O ILE D 39 102.823 -1.422 -16.712 1.00 0.00 O ATOM 1660 CB ILE D 39 102.785 -2.212 -13.507 1.00 0.00 C ATOM 1661 CG1 ILE D 39 103.305 -1.678 -12.171 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.899 -2.998 -14.204 1.00 0.00 C ATOM 1663 CD1 ILE D 39 103.463 -2.836 -11.185 1.00 0.00 C ATOM 0 H ILE D 39 100.830 -0.825 -12.950 1.00 0.00 H new ATOM 0 HA ILE D 39 103.163 -0.314 -14.475 1.00 0.00 H new ATOM 0 HB ILE D 39 101.932 -2.869 -13.337 1.00 0.00 H new ATOM 0 HG12 ILE D 39 104.262 -1.176 -12.315 1.00 0.00 H new ATOM 0 HG13 ILE D 39 102.614 -0.937 -11.770 1.00 0.00 H new ATOM 0 HG21 ILE D 39 104.204 -3.833 -13.574 1.00 0.00 H new ATOM 0 HG22 ILE D 39 103.534 -3.378 -15.158 1.00 0.00 H new ATOM 0 HG23 ILE D 39 104.753 -2.343 -14.377 1.00 0.00 H new ATOM 0 HD11 ILE D 39 103.834 -2.455 -10.233 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.497 -3.318 -11.032 1.00 0.00 H new ATOM 0 HD13 ILE D 39 104.171 -3.561 -11.586 1.00 0.00 H new ATOM 1675 N ALA D 40 100.850 -2.108 -15.940 1.00 0.00 N ATOM 1676 CA ALA D 40 100.422 -2.635 -17.228 1.00 0.00 C ATOM 1677 C ALA D 40 100.195 -1.502 -18.222 1.00 0.00 C ATOM 1678 O ALA D 40 100.294 -1.686 -19.428 1.00 0.00 O ATOM 1679 CB ALA D 40 99.144 -3.458 -17.057 1.00 0.00 C ATOM 0 H ALA D 40 100.168 -2.219 -15.189 1.00 0.00 H new ATOM 0 HA ALA D 40 101.208 -3.281 -17.620 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.831 -3.849 -18.025 1.00 0.00 H new ATOM 0 HB2 ALA D 40 99.334 -4.287 -16.375 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.356 -2.826 -16.649 1.00 0.00 H new ATOM 1685 N TRP D 41 99.868 -0.356 -17.714 1.00 0.00 N ATOM 1686 CA TRP D 41 99.612 0.801 -18.558 1.00 0.00 C ATOM 1687 C TRP D 41 100.846 1.182 -19.376 1.00 0.00 C ATOM 1688 O TRP D 41 100.748 1.470 -20.568 1.00 0.00 O ATOM 1689 CB TRP D 41 99.220 1.982 -17.666 1.00 0.00 C ATOM 1690 CG TRP D 41 98.834 3.169 -18.492 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.646 3.838 -19.355 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.558 3.868 -18.516 1.00 0.00 C ATOM 1693 NE1 TRP D 41 98.932 4.866 -19.928 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.646 4.930 -19.441 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.337 3.679 -17.840 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.575 5.771 -19.688 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.251 4.537 -18.083 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.372 5.582 -19.010 1.00 0.00 C ATOM 0 H TRP D 41 99.768 -0.182 -16.714 1.00 0.00 H new ATOM 0 HA TRP D 41 98.809 0.552 -19.251 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.389 1.696 -17.022 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.054 2.243 -17.014 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.680 3.601 -19.557 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.310 5.503 -20.629 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.235 2.871 -17.131 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.671 6.573 -20.405 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.321 4.391 -17.554 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.535 6.239 -19.198 1.00 0.00 H new ATOM 1709 N THR D 42 101.970 1.247 -18.719 1.00 0.00 N ATOM 1710 CA THR D 42 103.217 1.670 -19.358 1.00 0.00 C ATOM 1711 C THR D 42 103.492 0.964 -20.685 1.00 0.00 C ATOM 1712 O THR D 42 103.861 1.617 -21.662 1.00 0.00 O ATOM 1713 CB THR D 42 104.390 1.427 -18.408 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.404 0.062 -18.013 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.239 2.317 -17.172 1.00 0.00 C ATOM 0 H THR D 42 102.064 1.013 -17.731 1.00 0.00 H new ATOM 0 HA THR D 42 103.106 2.732 -19.579 1.00 0.00 H new ATOM 0 HB THR D 42 105.325 1.667 -18.915 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.630 -0.121 -17.440 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.075 2.144 -16.495 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.229 3.364 -17.476 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.305 2.078 -16.664 1.00 0.00 H new ATOM 1723 N ILE D 43 103.346 -0.329 -20.732 1.00 0.00 N ATOM 1724 CA ILE D 43 103.625 -1.047 -21.975 1.00 0.00 C ATOM 1725 C ILE D 43 102.771 -0.516 -23.131 1.00 0.00 C ATOM 1726 O ILE D 43 103.184 -0.581 -24.280 1.00 0.00 O ATOM 1727 CB ILE D 43 103.421 -2.560 -21.805 1.00 0.00 C ATOM 1728 CG1 ILE D 43 102.123 -2.824 -21.047 1.00 0.00 C ATOM 1729 CG2 ILE D 43 104.594 -3.156 -21.019 1.00 0.00 C ATOM 1730 CD1 ILE D 43 101.709 -4.285 -21.227 1.00 0.00 C ATOM 0 H ILE D 43 103.043 -0.911 -19.951 1.00 0.00 H new ATOM 0 HA ILE D 43 104.673 -0.872 -22.220 1.00 0.00 H new ATOM 0 HB ILE D 43 103.369 -3.024 -22.790 1.00 0.00 H new ATOM 0 HG12 ILE D 43 102.257 -2.602 -19.988 1.00 0.00 H new ATOM 0 HG13 ILE D 43 101.336 -2.165 -21.414 1.00 0.00 H new ATOM 0 HG21 ILE D 43 104.445 -4.229 -20.901 1.00 0.00 H new ATOM 0 HG22 ILE D 43 105.523 -2.976 -21.560 1.00 0.00 H new ATOM 0 HG23 ILE D 43 104.649 -2.687 -20.037 1.00 0.00 H new ATOM 0 HD11 ILE D 43 100.782 -4.470 -20.684 1.00 0.00 H new ATOM 0 HD12 ILE D 43 101.557 -4.492 -22.286 1.00 0.00 H new ATOM 0 HD13 ILE D 43 102.493 -4.936 -20.839 1.00 0.00 H new ATOM 1742 N GLY D 44 101.605 0.000 -22.844 1.00 0.00 N ATOM 1743 CA GLY D 44 100.741 0.518 -23.912 1.00 0.00 C ATOM 1744 C GLY D 44 101.528 1.429 -24.851 1.00 0.00 C ATOM 1745 O GLY D 44 101.455 1.285 -26.072 1.00 0.00 O ATOM 0 H GLY D 44 101.222 0.080 -21.902 1.00 0.00 H new ATOM 0 HA2 GLY D 44 100.314 -0.312 -24.476 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.908 1.069 -23.477 1.00 0.00 H new ATOM 1749 N HIS D 45 102.228 2.374 -24.293 1.00 0.00 N ATOM 1750 CA HIS D 45 102.984 3.339 -25.084 1.00 0.00 C ATOM 1751 C HIS D 45 103.709 2.663 -26.245 1.00 0.00 C ATOM 1752 O HIS D 45 104.043 3.313 -27.236 1.00 0.00 O ATOM 1753 CB HIS D 45 104.000 4.048 -24.190 1.00 0.00 C ATOM 1754 CG HIS D 45 104.753 5.068 -25.000 1.00 0.00 C ATOM 1755 ND1 HIS D 45 106.030 4.835 -25.484 1.00 0.00 N ATOM 1756 CD2 HIS D 45 104.417 6.331 -25.420 1.00 0.00 C ATOM 1757 CE1 HIS D 45 106.413 5.932 -26.163 1.00 0.00 C ATOM 1758 NE2 HIS D 45 105.467 6.874 -26.155 1.00 0.00 N ATOM 0 H HIS D 45 102.300 2.509 -23.284 1.00 0.00 H new ATOM 0 HA HIS D 45 102.282 4.062 -25.498 1.00 0.00 H new ATOM 0 HB2 HIS D 45 103.492 4.533 -23.357 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.693 3.323 -23.763 1.00 0.00 H new ATOM 0 HD2 HIS D 45 103.481 6.828 -25.212 1.00 0.00 H new ATOM 0 HE1 HIS D 45 107.369 6.037 -26.654 1.00 0.00 H new ATOM 0 HE2 HIS D 45 105.505 7.794 -26.593 1.00 0.00 H new ATOM 1767 N LEU D 46 103.957 1.395 -26.121 1.00 0.00 N ATOM 1768 CA LEU D 46 104.655 0.665 -27.171 1.00 0.00 C ATOM 1769 C LEU D 46 104.097 0.994 -28.559 1.00 0.00 C ATOM 1770 O LEU D 46 104.827 0.875 -29.544 1.00 0.00 O ATOM 1771 CB LEU D 46 104.593 -0.863 -26.935 1.00 0.00 C ATOM 1772 CG LEU D 46 103.237 -1.458 -27.422 1.00 0.00 C ATOM 1773 CD1 LEU D 46 103.361 -1.979 -28.877 1.00 0.00 C ATOM 1774 CD2 LEU D 46 102.805 -2.621 -26.499 1.00 0.00 C ATOM 0 H LEU D 46 103.693 0.833 -25.312 1.00 0.00 H new ATOM 0 HA LEU D 46 105.696 0.985 -27.132 1.00 0.00 H new ATOM 0 HB2 LEU D 46 105.415 -1.348 -27.462 1.00 0.00 H new ATOM 0 HB3 LEU D 46 104.725 -1.075 -25.874 1.00 0.00 H new ATOM 0 HG LEU D 46 102.487 -0.668 -27.389 1.00 0.00 H new ATOM 0 HD11 LEU D 46 102.404 -2.390 -29.199 1.00 0.00 H new ATOM 0 HD12 LEU D 46 103.642 -1.157 -29.535 1.00 0.00 H new ATOM 0 HD13 LEU D 46 104.124 -2.756 -28.921 1.00 0.00 H new ATOM 0 HD21 LEU D 46 101.857 -3.029 -26.848 1.00 0.00 H new ATOM 0 HD22 LEU D 46 103.565 -3.402 -26.518 1.00 0.00 H new ATOM 0 HD23 LEU D 46 102.688 -2.253 -25.480 1.00 0.00 H new ATOM 1786 N ASN D 47 102.850 1.405 -28.676 1.00 0.00 N ATOM 1787 CA ASN D 47 102.294 1.733 -29.998 1.00 0.00 C ATOM 1788 C ASN D 47 102.872 3.032 -30.602 1.00 0.00 C ATOM 1789 O ASN D 47 102.942 3.166 -31.824 1.00 0.00 O ATOM 1790 CB ASN D 47 100.773 1.887 -29.884 1.00 0.00 C ATOM 1791 CG ASN D 47 100.150 0.599 -29.357 1.00 0.00 C ATOM 1792 OD1 ASN D 47 100.131 -0.413 -30.056 1.00 0.00 O ATOM 1793 ND2 ASN D 47 99.632 0.579 -28.160 1.00 0.00 N ATOM 0 H ASN D 47 102.204 1.522 -27.896 1.00 0.00 H new ATOM 0 HA ASN D 47 102.568 0.913 -30.662 1.00 0.00 H new ATOM 0 HB2 ASN D 47 100.533 2.715 -29.217 1.00 0.00 H new ATOM 0 HB3 ASN D 47 100.351 2.131 -30.859 1.00 0.00 H new ATOM 0 HD21 ASN D 47 99.210 -0.277 -27.801 1.00 0.00 H new ATOM 0 HD22 ASN D 47 99.649 1.420 -27.583 1.00 0.00 H new ATOM 1800 N GLN D 48 103.274 3.965 -29.770 1.00 0.00 N ATOM 1801 CA GLN D 48 103.832 5.228 -30.253 1.00 0.00 C ATOM 1802 C GLN D 48 105.207 5.006 -30.860 1.00 0.00 C ATOM 1803 O GLN D 48 105.519 5.536 -31.927 1.00 0.00 O ATOM 1804 CB GLN D 48 103.949 6.232 -29.100 1.00 0.00 C ATOM 1805 CG GLN D 48 102.566 6.769 -28.740 1.00 0.00 C ATOM 1806 CD GLN D 48 101.615 5.611 -28.471 1.00 0.00 C ATOM 1807 OE1 GLN D 48 101.129 4.975 -29.405 1.00 0.00 O ATOM 1808 NE2 GLN D 48 101.308 5.305 -27.243 1.00 0.00 N ATOM 0 H GLN D 48 103.229 3.883 -28.754 1.00 0.00 H new ATOM 0 HA GLN D 48 103.162 5.624 -31.016 1.00 0.00 H new ATOM 0 HB2 GLN D 48 104.400 5.752 -28.232 1.00 0.00 H new ATOM 0 HB3 GLN D 48 104.605 7.054 -29.386 1.00 0.00 H new ATOM 0 HG2 GLN D 48 102.632 7.409 -27.860 1.00 0.00 H new ATOM 0 HG3 GLN D 48 102.182 7.385 -29.553 1.00 0.00 H new ATOM 0 HE21 GLN D 48 101.712 5.833 -26.470 1.00 0.00 H new ATOM 0 HE22 GLN D 48 100.664 4.537 -27.055 1.00 0.00 H new ATOM 1817 N ILE D 49 106.017 4.235 -30.187 1.00 0.00 N ATOM 1818 CA ILE D 49 107.363 3.952 -30.668 1.00 0.00 C ATOM 1819 C ILE D 49 107.335 3.631 -32.160 1.00 0.00 C ATOM 1820 O ILE D 49 107.497 4.521 -32.995 1.00 0.00 O ATOM 1821 CB ILE D 49 107.952 2.780 -29.877 1.00 0.00 C ATOM 1822 CG1 ILE D 49 107.930 3.121 -28.383 1.00 0.00 C ATOM 1823 CG2 ILE D 49 109.394 2.527 -30.318 1.00 0.00 C ATOM 1824 CD1 ILE D 49 108.374 1.905 -27.565 1.00 0.00 C ATOM 0 H ILE D 49 105.779 3.786 -29.303 1.00 0.00 H new ATOM 0 HA ILE D 49 107.990 4.831 -30.521 1.00 0.00 H new ATOM 0 HB ILE D 49 107.359 1.884 -30.062 1.00 0.00 H new ATOM 0 HG12 ILE D 49 108.590 3.965 -28.184 1.00 0.00 H new ATOM 0 HG13 ILE D 49 106.926 3.424 -28.085 1.00 0.00 H new ATOM 0 HG21 ILE D 49 109.807 1.692 -29.751 1.00 0.00 H new ATOM 0 HG22 ILE D 49 109.413 2.288 -31.381 1.00 0.00 H new ATOM 0 HG23 ILE D 49 109.992 3.420 -30.136 1.00 0.00 H new ATOM 0 HD11 ILE D 49 108.356 2.154 -26.504 1.00 0.00 H new ATOM 0 HD12 ILE D 49 107.696 1.072 -27.754 1.00 0.00 H new ATOM 0 HD13 ILE D 49 109.386 1.622 -27.854 1.00 0.00 H new ATOM 1836 N LYS D 50 107.128 2.386 -32.489 1.00 0.00 N ATOM 1837 CA LYS D 50 107.079 1.977 -33.887 1.00 0.00 C ATOM 1838 C LYS D 50 106.207 2.934 -34.698 1.00 0.00 C ATOM 1839 O LYS D 50 106.566 3.326 -35.809 1.00 0.00 O ATOM 1840 CB LYS D 50 106.516 0.553 -33.992 1.00 0.00 C ATOM 1841 CG LYS D 50 106.874 -0.062 -35.358 1.00 0.00 C ATOM 1842 CD LYS D 50 108.258 -0.721 -35.296 1.00 0.00 C ATOM 1843 CE LYS D 50 108.563 -1.392 -36.636 1.00 0.00 C ATOM 1844 NZ LYS D 50 109.902 -2.042 -36.569 1.00 0.00 N ATOM 0 H LYS D 50 106.989 1.630 -31.818 1.00 0.00 H new ATOM 0 HA LYS D 50 108.091 2.000 -34.290 1.00 0.00 H new ATOM 0 HB2 LYS D 50 106.919 -0.065 -33.190 1.00 0.00 H new ATOM 0 HB3 LYS D 50 105.433 0.572 -33.866 1.00 0.00 H new ATOM 0 HG2 LYS D 50 106.124 -0.801 -35.640 1.00 0.00 H new ATOM 0 HG3 LYS D 50 106.865 0.711 -36.127 1.00 0.00 H new ATOM 0 HD2 LYS D 50 109.019 0.026 -35.070 1.00 0.00 H new ATOM 0 HD3 LYS D 50 108.286 -1.458 -34.493 1.00 0.00 H new ATOM 0 HE2 LYS D 50 107.798 -2.133 -36.867 1.00 0.00 H new ATOM 0 HE3 LYS D 50 108.544 -0.654 -37.438 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 110.112 -2.499 -37.479 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 110.627 -1.324 -36.367 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 109.903 -2.757 -35.814 1.00 0.00 H new ATOM 1858 N ARG D 51 105.084 3.301 -34.143 1.00 0.00 N ATOM 1859 CA ARG D 51 104.170 4.214 -34.821 1.00 0.00 C ATOM 1860 C ARG D 51 103.636 3.577 -36.102 1.00 0.00 C ATOM 1861 O ARG D 51 102.462 3.216 -36.185 1.00 0.00 O ATOM 1862 CB ARG D 51 104.898 5.530 -35.148 1.00 0.00 C ATOM 1863 CG ARG D 51 103.891 6.684 -35.259 1.00 0.00 C ATOM 1864 CD ARG D 51 102.921 6.424 -36.416 1.00 0.00 C ATOM 1865 NE ARG D 51 102.279 7.670 -36.821 1.00 0.00 N ATOM 1866 CZ ARG D 51 102.946 8.598 -37.451 1.00 0.00 C ATOM 1867 NH1 ARG D 51 104.208 8.419 -37.730 1.00 0.00 N ATOM 1868 NH2 ARG D 51 102.351 9.705 -37.801 1.00 0.00 N ATOM 0 H ARG D 51 104.770 2.989 -33.224 1.00 0.00 H new ATOM 0 HA ARG D 51 103.328 4.425 -34.162 1.00 0.00 H new ATOM 0 HB2 ARG D 51 105.630 5.751 -34.371 1.00 0.00 H new ATOM 0 HB3 ARG D 51 105.447 5.427 -36.084 1.00 0.00 H new ATOM 0 HG2 ARG D 51 103.338 6.786 -34.325 1.00 0.00 H new ATOM 0 HG3 ARG D 51 104.419 7.624 -35.420 1.00 0.00 H new ATOM 0 HD2 ARG D 51 103.457 5.991 -37.260 1.00 0.00 H new ATOM 0 HD3 ARG D 51 102.166 5.699 -36.112 1.00 0.00 H new ATOM 0 HE ARG D 51 101.293 7.818 -36.608 1.00 0.00 H new ATOM 0 HH11 ARG D 51 104.673 7.554 -37.456 1.00 0.00 H new ATOM 0 HH12 ARG D 51 104.729 9.144 -38.222 1.00 0.00 H new ATOM 0 HH21 ARG D 51 101.365 9.845 -37.582 1.00 0.00 H new ATOM 0 HH22 ARG D 51 102.872 10.430 -38.293 1.00 0.00 H new ATOM 1882 N GLY D 52 104.491 3.444 -37.079 1.00 0.00 N ATOM 1883 CA GLY D 52 104.097 2.849 -38.351 1.00 0.00 C ATOM 1884 C GLY D 52 103.226 3.808 -39.154 1.00 0.00 C ATOM 0 H GLY D 52 105.467 3.736 -37.030 1.00 0.00 H new ATOM 0 HA2 GLY D 52 104.986 2.590 -38.927 1.00 0.00 H new ATOM 0 HA3 GLY D 52 103.553 1.922 -38.170 1.00 0.00 H new TER 1888 GLY D 52 HETATM 1889 CA RIM A 1 91.800 3.276 -6.180 1.00 0.00 C HETATM 1890 CB RIM A 1 90.530 4.133 -6.281 1.00 0.00 C HETATM 1891 NC RIM A 1 89.569 3.453 -7.192 1.00 0.00 N HETATM 1892 CD RIM A 1 89.859 4.355 -4.894 1.00 0.00 C HETATM 1893 CE1 RIM A 1 89.901 3.089 -4.038 1.00 0.00 C HETATM 1894 CE2 RIM A 1 88.398 4.701 -5.122 1.00 0.00 C HETATM 1895 CE3 RIM A 1 90.539 5.519 -4.174 1.00 0.00 C HETATM 1896 CF1 RIM A 1 89.187 3.338 -2.705 1.00 0.00 C HETATM 1897 CF2 RIM A 1 87.698 5.041 -3.793 1.00 0.00 C HETATM 1898 CF3 RIM A 1 89.895 5.738 -2.806 1.00 0.00 C HETATM 1899 CG1 RIM A 1 87.727 3.771 -2.941 1.00 0.00 C HETATM 1900 CG2 RIM A 1 88.448 6.144 -3.034 1.00 0.00 C HETATM 1901 CG3 RIM A 1 89.925 4.453 -1.977 1.00 0.00 C HETATM 0 HNC2 RIM A 1 88.661 3.876 -7.383 1.00 0.00 H new HETATM 0 HNC1 RIM A 1 89.819 2.564 -7.625 1.00 0.00 H new HETATM 0 HG32 RIM A 1 89.465 4.629 -1.005 1.00 0.00 H new HETATM 0 HG31 RIM A 1 90.957 4.155 -1.792 1.00 0.00 H new HETATM 0 HG22 RIM A 1 88.409 7.075 -3.600 1.00 0.00 H new HETATM 0 HG21 RIM A 1 87.961 6.332 -2.077 1.00 0.00 H new HETATM 0 HG12 RIM A 1 87.177 2.973 -3.441 1.00 0.00 H new HETATM 0 HG11 RIM A 1 87.232 3.950 -1.987 1.00 0.00 H new HETATM 0 HE32 RIM A 1 91.602 5.312 -4.055 1.00 0.00 H new HETATM 0 HE31 RIM A 1 90.456 6.426 -4.773 1.00 0.00 H new HETATM 0 HE22 RIM A 1 88.323 5.548 -5.804 1.00 0.00 H new HETATM 0 HE21 RIM A 1 87.892 3.862 -5.600 1.00 0.00 H new HETATM 0 HE12 RIM A 1 89.424 2.265 -4.568 1.00 0.00 H new HETATM 0 HE11 RIM A 1 90.935 2.795 -3.858 1.00 0.00 H new HETATM 0 HF3 RIM A 1 90.444 6.508 -2.265 1.00 0.00 H new HETATM 0 HF2 RIM A 1 86.685 5.391 -3.992 1.00 0.00 H new HETATM 0 HF1 RIM A 1 89.184 2.420 -2.117 1.00 0.00 H new HETATM 0 HB RIM A 1 90.810 5.113 -6.668 1.00 0.00 H new HETATM 0 HA3 RIM A 1 91.545 2.293 -5.783 1.00 0.00 H new HETATM 0 HA2 RIM A 1 92.243 3.164 -7.170 1.00 0.00 H new HETATM 0 HA1 RIM A 1 92.515 3.761 -5.515 1.00 0.00 H new