USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 GLN :FLIP amide:sc= 0.1 F(o=-0.76,f=1.4) USER MOD Set 1.2: A 11 HIS : no HD1:sc= 0.0356 K(o=1.4,f=-0.14) USER MOD Set 1.3: A 18 THR OG1 : rot -110:sc= 1.27 USER MOD Single : A 2 MET CE :methyl 171:sc= 0 (180deg=-0.063) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0312 USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= -0.0496 (180deg=-0.313) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.000815 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 149:sc=0.000167 USER MOD Single : A 36 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.47) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc=0.000873 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 52 TYR OH : rot 180:sc=-0.00912 USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.18) USER MOD Single : A 56 ASN : amide:sc= 0.867 K(o=0.87,f=-0.054) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -166:sc= 1.25 USER MOD Single : A 89 TYR OH : rot -23:sc= 1.05 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.09) USER MOD Single : A 97 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.22) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 16:sc= 0.596 USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 2 19.289 -1.088 9.529 1.00 45.24 N ATOM 9 CA MET A 2 18.537 -0.749 8.322 1.00 14.32 C ATOM 10 C MET A 2 18.024 -2.016 7.637 1.00 1.10 C ATOM 11 O MET A 2 18.630 -3.081 7.753 1.00 45.22 O ATOM 12 CB MET A 2 19.343 0.187 7.406 1.00 21.54 C ATOM 13 CG MET A 2 20.519 -0.549 6.786 1.00 22.42 C ATOM 14 SD MET A 2 22.035 0.417 6.507 1.00 51.44 S ATOM 15 CE MET A 2 22.586 0.719 8.210 1.00 33.52 C ATOM 0 HA MET A 2 17.650 -0.179 8.597 1.00 14.32 H new ATOM 0 HB2 MET A 2 18.698 0.579 6.620 1.00 21.54 H new ATOM 0 HB3 MET A 2 19.703 1.042 7.978 1.00 21.54 H new ATOM 0 HG2 MET A 2 20.768 -1.394 7.428 1.00 22.42 H new ATOM 0 HG3 MET A 2 20.197 -0.960 5.829 1.00 22.42 H new ATOM 0 HE1 MET A 2 23.583 1.159 8.197 1.00 33.52 H new ATOM 0 HE2 MET A 2 21.893 1.403 8.701 1.00 33.52 H new ATOM 0 HE3 MET A 2 22.613 -0.224 8.756 1.00 33.52 H new ATOM 25 N ARG A 3 16.930 -1.902 6.887 1.00 62.51 N ATOM 26 CA ARG A 3 16.422 -2.953 6.015 1.00 53.12 C ATOM 27 C ARG A 3 16.441 -2.367 4.608 1.00 53.31 C ATOM 28 O ARG A 3 15.410 -1.921 4.115 1.00 5.11 O ATOM 29 CB ARG A 3 15.038 -3.420 6.485 1.00 51.31 C ATOM 30 CG ARG A 3 15.069 -4.238 7.783 1.00 63.24 C ATOM 31 CD ARG A 3 14.390 -5.589 7.553 1.00 1.43 C ATOM 32 NE ARG A 3 14.137 -6.303 8.816 1.00 23.43 N ATOM 33 CZ ARG A 3 14.538 -7.538 9.155 1.00 60.12 C ATOM 34 NH1 ARG A 3 15.285 -8.281 8.343 1.00 43.32 N ATOM 35 NH2 ARG A 3 14.186 -8.036 10.335 1.00 40.24 N ATOM 0 H ARG A 3 16.361 -1.056 6.870 1.00 62.51 H new ATOM 0 HA ARG A 3 17.032 -3.856 6.036 1.00 53.12 H new ATOM 0 HB2 ARG A 3 14.401 -2.548 6.631 1.00 51.31 H new ATOM 0 HB3 ARG A 3 14.581 -4.021 5.699 1.00 51.31 H new ATOM 0 HG2 ARG A 3 16.099 -4.387 8.106 1.00 63.24 H new ATOM 0 HG3 ARG A 3 14.561 -3.695 8.580 1.00 63.24 H new ATOM 0 HD2 ARG A 3 13.447 -5.436 7.028 1.00 1.43 H new ATOM 0 HD3 ARG A 3 15.017 -6.205 6.908 1.00 1.43 H new ATOM 0 HE ARG A 3 13.592 -5.799 9.516 1.00 23.43 H new ATOM 0 HH11 ARG A 3 15.569 -7.915 7.434 1.00 43.32 H new ATOM 0 HH12 ARG A 3 15.574 -9.216 8.629 1.00 43.32 H new ATOM 0 HH21 ARG A 3 13.616 -7.481 10.973 1.00 40.24 H new ATOM 0 HH22 ARG A 3 14.485 -8.974 10.603 1.00 40.24 H new ATOM 49 N ILE A 4 17.616 -2.235 3.994 1.00 74.53 N ATOM 50 CA ILE A 4 17.703 -1.716 2.627 1.00 74.10 C ATOM 51 C ILE A 4 17.485 -2.926 1.713 1.00 24.22 C ATOM 52 O ILE A 4 18.152 -3.943 1.908 1.00 65.54 O ATOM 53 CB ILE A 4 19.043 -1.002 2.347 1.00 54.23 C ATOM 54 CG1 ILE A 4 19.223 0.198 3.299 1.00 54.12 C ATOM 55 CG2 ILE A 4 19.074 -0.489 0.889 1.00 11.42 C ATOM 56 CD1 ILE A 4 20.637 0.773 3.324 1.00 1.33 C ATOM 0 H ILE A 4 18.513 -2.477 4.415 1.00 74.53 H new ATOM 0 HA ILE A 4 16.951 -0.947 2.452 1.00 74.10 H new ATOM 0 HB ILE A 4 19.850 -1.717 2.507 1.00 54.23 H new ATOM 0 HG12 ILE A 4 18.528 0.986 3.007 1.00 54.12 H new ATOM 0 HG13 ILE A 4 18.951 -0.110 4.308 1.00 54.12 H new ATOM 0 HG21 ILE A 4 20.023 0.013 0.700 1.00 11.42 H new ATOM 0 HG22 ILE A 4 18.967 -1.331 0.205 1.00 11.42 H new ATOM 0 HG23 ILE A 4 18.255 0.213 0.733 1.00 11.42 H new ATOM 0 HD11 ILE A 4 20.676 1.612 4.018 1.00 1.33 H new ATOM 0 HD12 ILE A 4 21.337 0.003 3.646 1.00 1.33 H new ATOM 0 HD13 ILE A 4 20.908 1.115 2.325 1.00 1.33 H new ATOM 68 N PRO A 5 16.566 -2.869 0.738 1.00 14.02 N ATOM 69 CA PRO A 5 16.323 -3.988 -0.156 1.00 23.30 C ATOM 70 C PRO A 5 17.545 -4.369 -0.991 1.00 43.12 C ATOM 71 O PRO A 5 18.651 -3.815 -0.916 1.00 71.15 O ATOM 72 CB PRO A 5 15.082 -3.630 -0.985 1.00 74.21 C ATOM 73 CG PRO A 5 14.979 -2.112 -0.857 1.00 5.03 C ATOM 74 CD PRO A 5 15.657 -1.770 0.462 1.00 42.12 C ATOM 0 HA PRO A 5 16.132 -4.898 0.413 1.00 23.30 H new ATOM 0 HB2 PRO A 5 15.195 -3.936 -2.025 1.00 74.21 H new ATOM 0 HB3 PRO A 5 14.189 -4.125 -0.602 1.00 74.21 H new ATOM 0 HG2 PRO A 5 15.471 -1.613 -1.692 1.00 5.03 H new ATOM 0 HG3 PRO A 5 13.938 -1.787 -0.860 1.00 5.03 H new ATOM 0 HD2 PRO A 5 16.196 -0.825 0.391 1.00 42.12 H new ATOM 0 HD3 PRO A 5 14.924 -1.659 1.261 1.00 42.12 H new ATOM 82 N SER A 6 17.345 -5.436 -1.748 1.00 4.40 N ATOM 83 CA SER A 6 18.298 -5.988 -2.689 1.00 63.25 C ATOM 84 C SER A 6 17.499 -6.659 -3.796 1.00 73.33 C ATOM 85 O SER A 6 17.799 -6.470 -4.976 1.00 72.54 O ATOM 86 CB SER A 6 19.221 -6.992 -1.990 1.00 41.13 C ATOM 87 OG SER A 6 19.755 -6.448 -0.791 1.00 40.22 O ATOM 0 H SER A 6 16.472 -5.963 -1.719 1.00 4.40 H new ATOM 0 HA SER A 6 18.934 -5.205 -3.103 1.00 63.25 H new ATOM 0 HB2 SER A 6 18.667 -7.903 -1.764 1.00 41.13 H new ATOM 0 HB3 SER A 6 20.034 -7.271 -2.660 1.00 41.13 H new ATOM 0 HG SER A 6 20.339 -7.109 -0.364 1.00 40.22 H new ATOM 93 N ALA A 7 16.440 -7.388 -3.422 1.00 32.54 N ATOM 94 CA ALA A 7 15.396 -7.746 -4.362 1.00 54.32 C ATOM 95 C ALA A 7 14.466 -6.540 -4.465 1.00 51.33 C ATOM 96 O ALA A 7 14.186 -5.899 -3.449 1.00 55.32 O ATOM 97 CB ALA A 7 14.666 -9.001 -3.877 1.00 41.43 C ATOM 0 H ALA A 7 16.293 -7.736 -2.475 1.00 32.54 H new ATOM 0 HA ALA A 7 15.798 -7.984 -5.347 1.00 54.32 H new ATOM 0 HB1 ALA A 7 13.883 -9.264 -4.588 1.00 41.43 H new ATOM 0 HB2 ALA A 7 15.374 -9.825 -3.796 1.00 41.43 H new ATOM 0 HB3 ALA A 7 14.220 -8.808 -2.901 1.00 41.43 H new ATOM 103 N ILE A 8 14.027 -6.230 -5.682 1.00 44.04 N ATOM 104 CA ILE A 8 13.075 -5.185 -6.018 1.00 55.25 C ATOM 105 C ILE A 8 12.239 -5.765 -7.152 1.00 71.25 C ATOM 106 O ILE A 8 12.795 -6.149 -8.185 1.00 13.24 O ATOM 107 CB ILE A 8 13.772 -3.886 -6.494 1.00 65.31 C ATOM 108 CG1 ILE A 8 14.639 -3.181 -5.437 1.00 61.24 C ATOM 109 CG2 ILE A 8 12.748 -2.903 -7.089 1.00 23.12 C ATOM 110 CD1 ILE A 8 13.853 -2.550 -4.289 1.00 72.51 C ATOM 0 H ILE A 8 14.349 -6.735 -6.508 1.00 44.04 H new ATOM 0 HA ILE A 8 12.483 -4.907 -5.146 1.00 55.25 H new ATOM 0 HB ILE A 8 14.471 -4.213 -7.264 1.00 65.31 H new ATOM 0 HG12 ILE A 8 15.344 -3.903 -5.024 1.00 61.24 H new ATOM 0 HG13 ILE A 8 15.227 -2.405 -5.927 1.00 61.24 H new ATOM 0 HG21 ILE A 8 13.260 -1.998 -7.417 1.00 23.12 H new ATOM 0 HG22 ILE A 8 12.251 -3.367 -7.941 1.00 23.12 H new ATOM 0 HG23 ILE A 8 12.007 -2.647 -6.332 1.00 23.12 H new ATOM 0 HD11 ILE A 8 14.544 -2.076 -3.592 1.00 72.51 H new ATOM 0 HD12 ILE A 8 13.167 -1.801 -4.686 1.00 72.51 H new ATOM 0 HD13 ILE A 8 13.286 -3.322 -3.769 1.00 72.51 H new ATOM 122 N GLN A 9 10.925 -5.814 -6.984 1.00 53.35 N ATOM 123 CA GLN A 9 9.960 -6.197 -7.998 1.00 60.44 C ATOM 124 C GLN A 9 8.743 -5.317 -7.780 1.00 11.30 C ATOM 125 O GLN A 9 8.286 -5.172 -6.648 1.00 11.24 O ATOM 126 CB GLN A 9 9.570 -7.666 -7.801 1.00 61.53 C ATOM 127 CG GLN A 9 10.544 -8.647 -8.461 1.00 43.01 C ATOM 128 CD GLN A 9 10.346 -10.113 -8.064 1.00 1.42 C ATOM 129 OE1 GLN A 9 9.588 -10.428 -7.025 1.00 12.21 O flip ATOM 130 NE2 GLN A 9 10.961 -11.000 -8.651 1.00 22.20 N flip ATOM 0 H GLN A 9 10.485 -5.576 -6.095 1.00 53.35 H new ATOM 0 HA GLN A 9 10.365 -6.078 -9.003 1.00 60.44 H new ATOM 0 HB2 GLN A 9 9.517 -7.880 -6.734 1.00 61.53 H new ATOM 0 HB3 GLN A 9 8.572 -7.827 -8.208 1.00 61.53 H new ATOM 0 HG2 GLN A 9 10.446 -8.562 -9.543 1.00 43.01 H new ATOM 0 HG3 GLN A 9 11.562 -8.351 -8.209 1.00 43.01 H new ATOM 0 HE21 GLN A 9 11.548 -10.769 -9.453 1.00 22.20 H new ATOM 0 HE22 GLN A 9 10.885 -11.967 -8.337 1.00 22.20 H new ATOM 139 N LEU A 10 8.191 -4.767 -8.855 1.00 11.10 N ATOM 140 CA LEU A 10 6.885 -4.142 -8.861 1.00 25.21 C ATOM 141 C LEU A 10 5.865 -4.983 -9.636 1.00 43.45 C ATOM 142 O LEU A 10 4.672 -4.673 -9.641 1.00 53.34 O ATOM 143 CB LEU A 10 7.058 -2.698 -9.345 1.00 1.33 C ATOM 144 CG LEU A 10 7.182 -2.434 -10.854 1.00 34.41 C ATOM 145 CD1 LEU A 10 5.802 -2.185 -11.465 1.00 23.01 C ATOM 146 CD2 LEU A 10 8.034 -1.183 -11.095 1.00 11.21 C ATOM 0 H LEU A 10 8.654 -4.746 -9.764 1.00 11.10 H new ATOM 0 HA LEU A 10 6.457 -4.095 -7.860 1.00 25.21 H new ATOM 0 HB2 LEU A 10 6.208 -2.123 -8.978 1.00 1.33 H new ATOM 0 HB3 LEU A 10 7.949 -2.293 -8.865 1.00 1.33 H new ATOM 0 HG LEU A 10 7.644 -3.308 -11.314 1.00 34.41 H new ATOM 0 HD11 LEU A 10 5.906 -1.999 -12.534 1.00 23.01 H new ATOM 0 HD12 LEU A 10 5.171 -3.060 -11.308 1.00 23.01 H new ATOM 0 HD13 LEU A 10 5.344 -1.318 -10.989 1.00 23.01 H new ATOM 0 HD21 LEU A 10 8.118 -1.001 -12.166 1.00 11.21 H new ATOM 0 HD22 LEU A 10 7.563 -0.324 -10.617 1.00 11.21 H new ATOM 0 HD23 LEU A 10 9.028 -1.333 -10.673 1.00 11.21 H new ATOM 158 N HIS A 11 6.352 -6.048 -10.274 1.00 71.05 N ATOM 159 CA HIS A 11 5.679 -6.936 -11.198 1.00 14.32 C ATOM 160 C HIS A 11 4.854 -6.123 -12.181 1.00 0.34 C ATOM 161 O HIS A 11 3.629 -6.092 -12.107 1.00 33.24 O ATOM 162 CB HIS A 11 4.922 -8.063 -10.483 1.00 1.11 C ATOM 163 CG HIS A 11 5.857 -9.116 -9.969 1.00 32.41 C ATOM 164 ND1 HIS A 11 6.510 -10.035 -10.756 1.00 54.14 N ATOM 165 CD2 HIS A 11 6.253 -9.309 -8.672 1.00 43.34 C ATOM 166 CE1 HIS A 11 7.271 -10.782 -9.946 1.00 72.41 C ATOM 167 NE2 HIS A 11 7.124 -10.401 -8.672 1.00 60.51 N ATOM 0 H HIS A 11 7.323 -6.330 -10.137 1.00 71.05 H new ATOM 0 HA HIS A 11 6.420 -7.473 -11.791 1.00 14.32 H new ATOM 0 HB2 HIS A 11 4.349 -7.648 -9.654 1.00 1.11 H new ATOM 0 HB3 HIS A 11 4.207 -8.515 -11.170 1.00 1.11 H new ATOM 0 HD2 HIS A 11 5.950 -8.728 -7.814 1.00 43.34 H new ATOM 0 HE1 HIS A 11 7.916 -11.583 -10.276 1.00 72.41 H new ATOM 0 HE2 HIS A 11 7.564 -10.827 -7.856 1.00 60.51 H new ATOM 175 N LYS A 12 5.518 -5.415 -13.099 1.00 13.10 N ATOM 176 CA LYS A 12 4.840 -4.493 -14.004 1.00 25.24 C ATOM 177 C LYS A 12 3.857 -5.184 -14.955 1.00 0.34 C ATOM 178 O LYS A 12 3.126 -4.491 -15.665 1.00 21.21 O ATOM 179 CB LYS A 12 5.892 -3.640 -14.729 1.00 42.13 C ATOM 180 CG LYS A 12 5.309 -2.282 -15.135 1.00 25.14 C ATOM 181 CD LYS A 12 6.378 -1.196 -15.309 1.00 70.45 C ATOM 182 CE LYS A 12 5.817 0.087 -15.918 1.00 62.13 C ATOM 183 NZ LYS A 12 5.268 -0.124 -17.271 1.00 32.15 N ATOM 0 H LYS A 12 6.528 -5.466 -13.232 1.00 13.10 H new ATOM 0 HA LYS A 12 4.205 -3.833 -13.413 1.00 25.24 H new ATOM 0 HB2 LYS A 12 6.755 -3.491 -14.080 1.00 42.13 H new ATOM 0 HB3 LYS A 12 6.247 -4.168 -15.614 1.00 42.13 H new ATOM 0 HG2 LYS A 12 4.758 -2.394 -16.069 1.00 25.14 H new ATOM 0 HG3 LYS A 12 4.592 -1.960 -14.379 1.00 25.14 H new ATOM 0 HD2 LYS A 12 6.822 -0.970 -14.340 1.00 70.45 H new ATOM 0 HD3 LYS A 12 7.177 -1.577 -15.945 1.00 70.45 H new ATOM 0 HE2 LYS A 12 5.035 0.482 -15.269 1.00 62.13 H new ATOM 0 HE3 LYS A 12 6.605 0.839 -15.962 1.00 62.13 H new ATOM 0 HZ1 LYS A 12 5.135 0.795 -17.739 1.00 32.15 H new ATOM 0 HZ2 LYS A 12 5.928 -0.704 -17.827 1.00 32.15 H new ATOM 0 HZ3 LYS A 12 4.352 -0.612 -17.202 1.00 32.15 H new ATOM 197 N ALA A 13 3.797 -6.517 -14.987 1.00 32.03 N ATOM 198 CA ALA A 13 2.615 -7.218 -15.458 1.00 22.32 C ATOM 199 C ALA A 13 1.549 -7.182 -14.350 1.00 0.53 C ATOM 200 O ALA A 13 0.641 -6.352 -14.394 1.00 12.11 O ATOM 201 CB ALA A 13 2.990 -8.640 -15.884 1.00 0.43 C ATOM 0 H ALA A 13 4.558 -7.128 -14.690 1.00 32.03 H new ATOM 0 HA ALA A 13 2.195 -6.732 -16.339 1.00 22.32 H new ATOM 0 HB1 ALA A 13 2.100 -9.161 -16.236 1.00 0.43 H new ATOM 0 HB2 ALA A 13 3.727 -8.597 -16.686 1.00 0.43 H new ATOM 0 HB3 ALA A 13 3.411 -9.176 -15.033 1.00 0.43 H new ATOM 207 N SER A 14 1.665 -8.036 -13.333 1.00 23.30 N ATOM 208 CA SER A 14 0.643 -8.341 -12.329 1.00 12.20 C ATOM 209 C SER A 14 0.206 -7.173 -11.426 1.00 34.33 C ATOM 210 O SER A 14 -0.859 -7.250 -10.810 1.00 24.13 O ATOM 211 CB SER A 14 1.194 -9.445 -11.422 1.00 71.02 C ATOM 212 OG SER A 14 2.037 -10.351 -12.120 1.00 42.45 O ATOM 0 H SER A 14 2.524 -8.564 -13.178 1.00 23.30 H new ATOM 0 HA SER A 14 -0.245 -8.623 -12.895 1.00 12.20 H new ATOM 0 HB2 SER A 14 1.752 -8.993 -10.602 1.00 71.02 H new ATOM 0 HB3 SER A 14 0.364 -9.994 -10.978 1.00 71.02 H new ATOM 0 HG SER A 14 2.365 -11.036 -11.501 1.00 42.45 H new ATOM 218 N LYS A 15 1.007 -6.108 -11.362 1.00 32.10 N ATOM 219 CA LYS A 15 1.037 -5.045 -10.366 1.00 40.33 C ATOM 220 C LYS A 15 1.074 -5.605 -8.943 1.00 2.10 C ATOM 221 O LYS A 15 0.125 -5.462 -8.174 1.00 1.24 O ATOM 222 CB LYS A 15 -0.096 -4.037 -10.586 1.00 30.14 C ATOM 223 CG LYS A 15 -0.257 -3.526 -12.024 1.00 4.33 C ATOM 224 CD LYS A 15 -1.688 -3.781 -12.541 1.00 70.25 C ATOM 225 CE LYS A 15 -2.038 -2.732 -13.588 1.00 13.12 C ATOM 226 NZ LYS A 15 -3.441 -2.810 -14.043 1.00 45.34 N ATOM 0 H LYS A 15 1.718 -5.957 -12.077 1.00 32.10 H new ATOM 0 HA LYS A 15 1.967 -4.492 -10.496 1.00 40.33 H new ATOM 0 HB2 LYS A 15 -1.034 -4.498 -10.276 1.00 30.14 H new ATOM 0 HB3 LYS A 15 0.071 -3.181 -9.932 1.00 30.14 H new ATOM 0 HG2 LYS A 15 -0.037 -2.459 -12.062 1.00 4.33 H new ATOM 0 HG3 LYS A 15 0.463 -4.023 -12.674 1.00 4.33 H new ATOM 0 HD2 LYS A 15 -1.759 -4.780 -12.972 1.00 70.25 H new ATOM 0 HD3 LYS A 15 -2.398 -3.739 -11.715 1.00 70.25 H new ATOM 0 HE2 LYS A 15 -1.851 -1.740 -13.176 1.00 13.12 H new ATOM 0 HE3 LYS A 15 -1.377 -2.850 -14.447 1.00 13.12 H new ATOM 0 HZ1 LYS A 15 -3.617 -2.072 -14.754 1.00 45.34 H new ATOM 0 HZ2 LYS A 15 -3.618 -3.745 -14.463 1.00 45.34 H new ATOM 0 HZ3 LYS A 15 -4.077 -2.669 -13.232 1.00 45.34 H new ATOM 240 N THR A 16 2.225 -6.117 -8.527 1.00 52.14 N ATOM 241 CA THR A 16 2.440 -6.625 -7.180 1.00 41.41 C ATOM 242 C THR A 16 3.852 -6.236 -6.755 1.00 74.21 C ATOM 243 O THR A 16 4.828 -6.577 -7.417 1.00 60.45 O ATOM 244 CB THR A 16 2.209 -8.144 -7.155 1.00 2.41 C ATOM 245 OG1 THR A 16 0.965 -8.456 -7.761 1.00 73.44 O ATOM 246 CG2 THR A 16 2.220 -8.669 -5.720 1.00 12.34 C ATOM 0 H THR A 16 3.047 -6.192 -9.126 1.00 52.14 H new ATOM 0 HA THR A 16 1.734 -6.193 -6.471 1.00 41.41 H new ATOM 0 HB THR A 16 3.016 -8.621 -7.711 1.00 2.41 H new ATOM 0 HG1 THR A 16 0.826 -9.426 -7.742 1.00 73.44 H new ATOM 0 HG21 THR A 16 2.055 -9.746 -5.725 1.00 12.34 H new ATOM 0 HG22 THR A 16 3.184 -8.452 -5.261 1.00 12.34 H new ATOM 0 HG23 THR A 16 1.429 -8.183 -5.149 1.00 12.34 H new ATOM 254 N LEU A 17 3.960 -5.448 -5.692 1.00 3.11 N ATOM 255 CA LEU A 17 5.233 -5.093 -5.088 1.00 31.22 C ATOM 256 C LEU A 17 5.777 -6.343 -4.435 1.00 14.43 C ATOM 257 O LEU A 17 5.018 -6.989 -3.714 1.00 55.32 O ATOM 258 CB LEU A 17 4.963 -4.032 -4.017 1.00 1.41 C ATOM 259 CG LEU A 17 6.130 -3.565 -3.127 1.00 33.50 C ATOM 260 CD1 LEU A 17 5.887 -3.922 -1.680 1.00 3.11 C ATOM 261 CD2 LEU A 17 7.570 -3.768 -3.562 1.00 33.41 C ATOM 0 H LEU A 17 3.155 -5.034 -5.222 1.00 3.11 H new ATOM 0 HA LEU A 17 5.942 -4.706 -5.820 1.00 31.22 H new ATOM 0 HB2 LEU A 17 4.557 -3.153 -4.518 1.00 1.41 H new ATOM 0 HB3 LEU A 17 4.181 -4.415 -3.362 1.00 1.41 H new ATOM 0 HG LEU A 17 6.082 -2.486 -3.277 1.00 33.50 H new ATOM 0 HD11 LEU A 17 6.727 -3.580 -1.075 1.00 3.11 H new ATOM 0 HD12 LEU A 17 4.972 -3.441 -1.335 1.00 3.11 H new ATOM 0 HD13 LEU A 17 5.787 -5.003 -1.584 1.00 3.11 H new ATOM 0 HD21 LEU A 17 8.240 -3.372 -2.799 1.00 33.41 H new ATOM 0 HD22 LEU A 17 7.763 -4.832 -3.697 1.00 33.41 H new ATOM 0 HD23 LEU A 17 7.743 -3.246 -4.503 1.00 33.41 H new ATOM 273 N THR A 18 7.073 -6.616 -4.564 1.00 2.12 N ATOM 274 CA THR A 18 7.672 -7.635 -3.724 1.00 63.12 C ATOM 275 C THR A 18 8.884 -7.098 -2.995 1.00 23.41 C ATOM 276 O THR A 18 9.706 -6.380 -3.576 1.00 24.12 O ATOM 277 CB THR A 18 8.059 -8.880 -4.540 1.00 55.05 C ATOM 278 OG1 THR A 18 7.228 -9.119 -5.651 1.00 72.35 O ATOM 279 CG2 THR A 18 8.212 -10.156 -3.714 1.00 2.40 C ATOM 0 H THR A 18 7.706 -6.160 -5.221 1.00 2.12 H new ATOM 0 HA THR A 18 6.922 -7.926 -2.988 1.00 63.12 H new ATOM 0 HB THR A 18 9.048 -8.619 -4.916 1.00 55.05 H new ATOM 0 HG1 THR A 18 6.681 -9.915 -5.485 1.00 72.35 H new ATOM 0 HG21 THR A 18 8.486 -10.983 -4.369 1.00 2.40 H new ATOM 0 HG22 THR A 18 8.991 -10.013 -2.965 1.00 2.40 H new ATOM 0 HG23 THR A 18 7.269 -10.383 -3.218 1.00 2.40 H new ATOM 287 N LEU A 19 9.007 -7.483 -1.727 1.00 72.53 N ATOM 288 CA LEU A 19 10.045 -7.059 -0.811 1.00 42.22 C ATOM 289 C LEU A 19 10.620 -8.299 -0.156 1.00 0.31 C ATOM 290 O LEU A 19 9.893 -8.997 0.558 1.00 4.32 O ATOM 291 CB LEU A 19 9.438 -6.106 0.234 1.00 44.42 C ATOM 292 CG LEU A 19 9.033 -4.732 -0.316 1.00 40.05 C ATOM 293 CD1 LEU A 19 8.568 -3.828 0.830 1.00 4.12 C ATOM 294 CD2 LEU A 19 10.171 -4.038 -1.054 1.00 74.35 C ATOM 0 H LEU A 19 8.349 -8.132 -1.296 1.00 72.53 H new ATOM 0 HA LEU A 19 10.840 -6.525 -1.331 1.00 42.22 H new ATOM 0 HB2 LEU A 19 8.560 -6.580 0.673 1.00 44.42 H new ATOM 0 HB3 LEU A 19 10.159 -5.963 1.039 1.00 44.42 H new ATOM 0 HG LEU A 19 8.225 -4.904 -1.027 1.00 40.05 H new ATOM 0 HD11 LEU A 19 8.282 -2.854 0.432 1.00 4.12 H new ATOM 0 HD12 LEU A 19 7.711 -4.283 1.327 1.00 4.12 H new ATOM 0 HD13 LEU A 19 9.379 -3.703 1.547 1.00 4.12 H new ATOM 0 HD21 LEU A 19 9.829 -3.071 -1.422 1.00 74.35 H new ATOM 0 HD22 LEU A 19 11.010 -3.892 -0.374 1.00 74.35 H new ATOM 0 HD23 LEU A 19 10.489 -4.654 -1.895 1.00 74.35 H new ATOM 306 N ARG A 20 11.912 -8.580 -0.377 1.00 42.42 N ATOM 307 CA ARG A 20 12.535 -9.706 0.312 1.00 12.43 C ATOM 308 C ARG A 20 12.933 -9.253 1.706 1.00 12.24 C ATOM 309 O ARG A 20 14.011 -8.679 1.888 1.00 54.25 O ATOM 310 CB ARG A 20 13.694 -10.343 -0.462 1.00 12.22 C ATOM 311 CG ARG A 20 14.001 -11.700 0.195 1.00 3.33 C ATOM 312 CD ARG A 20 15.236 -12.375 -0.390 1.00 14.04 C ATOM 313 NE ARG A 20 16.475 -11.728 0.068 1.00 34.13 N ATOM 314 CZ ARG A 20 17.460 -11.241 -0.689 1.00 34.41 C ATOM 315 NH1 ARG A 20 17.354 -11.203 -2.012 1.00 33.32 N ATOM 316 NH2 ARG A 20 18.567 -10.775 -0.126 1.00 41.03 N ATOM 0 H ARG A 20 12.524 -8.060 -1.006 1.00 42.42 H new ATOM 0 HA ARG A 20 11.805 -10.512 0.385 1.00 12.43 H new ATOM 0 HB2 ARG A 20 13.427 -10.477 -1.510 1.00 12.22 H new ATOM 0 HB3 ARG A 20 14.572 -9.698 -0.437 1.00 12.22 H new ATOM 0 HG2 ARG A 20 14.145 -11.556 1.266 1.00 3.33 H new ATOM 0 HG3 ARG A 20 13.141 -12.359 0.075 1.00 3.33 H new ATOM 0 HD2 ARG A 20 15.247 -13.427 -0.103 1.00 14.04 H new ATOM 0 HD3 ARG A 20 15.188 -12.342 -1.478 1.00 14.04 H new ATOM 0 HE ARG A 20 16.595 -11.642 1.077 1.00 34.13 H new ATOM 0 HH11 ARG A 20 16.509 -11.550 -2.466 1.00 33.32 H new ATOM 0 HH12 ARG A 20 18.118 -10.827 -2.574 1.00 33.32 H new ATOM 0 HH21 ARG A 20 18.667 -10.788 0.889 1.00 41.03 H new ATOM 0 HH22 ARG A 20 19.318 -10.404 -0.708 1.00 41.03 H new ATOM 330 N TYR A 21 12.020 -9.370 2.661 1.00 31.51 N ATOM 331 CA TYR A 21 12.232 -9.111 4.064 1.00 54.41 C ATOM 332 C TYR A 21 13.239 -10.121 4.612 1.00 34.12 C ATOM 333 O TYR A 21 12.891 -11.244 4.984 1.00 35.41 O ATOM 334 CB TYR A 21 10.873 -9.183 4.750 1.00 61.35 C ATOM 335 CG TYR A 21 10.932 -8.891 6.226 1.00 34.14 C ATOM 336 CD1 TYR A 21 10.935 -7.566 6.702 1.00 64.13 C ATOM 337 CD2 TYR A 21 10.963 -9.965 7.127 1.00 3.44 C ATOM 338 CE1 TYR A 21 10.948 -7.303 8.080 1.00 35.14 C ATOM 339 CE2 TYR A 21 10.952 -9.719 8.502 1.00 0.30 C ATOM 340 CZ TYR A 21 10.892 -8.395 8.985 1.00 2.21 C ATOM 341 OH TYR A 21 10.675 -8.215 10.313 1.00 3.23 O ATOM 0 H TYR A 21 11.064 -9.664 2.459 1.00 31.51 H new ATOM 0 HA TYR A 21 12.654 -8.123 4.246 1.00 54.41 H new ATOM 0 HB2 TYR A 21 10.196 -8.474 4.274 1.00 61.35 H new ATOM 0 HB3 TYR A 21 10.451 -10.177 4.600 1.00 61.35 H new ATOM 0 HD1 TYR A 21 10.927 -6.745 6.000 1.00 64.13 H new ATOM 0 HD2 TYR A 21 10.995 -10.980 6.759 1.00 3.44 H new ATOM 0 HE1 TYR A 21 11.000 -6.288 8.446 1.00 35.14 H new ATOM 0 HE2 TYR A 21 10.990 -10.545 9.197 1.00 0.30 H new ATOM 0 HH TYR A 21 10.670 -9.085 10.765 1.00 3.23 H new ATOM 351 N GLY A 22 14.510 -9.728 4.654 1.00 15.00 N ATOM 352 CA GLY A 22 15.594 -10.609 5.038 1.00 13.33 C ATOM 353 C GLY A 22 15.782 -11.651 3.952 1.00 62.53 C ATOM 354 O GLY A 22 16.348 -11.348 2.899 1.00 21.21 O ATOM 0 H GLY A 22 14.812 -8.782 4.420 1.00 15.00 H new ATOM 0 HA2 GLY A 22 16.513 -10.039 5.178 1.00 13.33 H new ATOM 0 HA3 GLY A 22 15.370 -11.091 5.990 1.00 13.33 H new ATOM 358 N GLU A 23 15.258 -12.850 4.190 1.00 31.53 N ATOM 359 CA GLU A 23 15.328 -14.008 3.305 1.00 53.43 C ATOM 360 C GLU A 23 13.927 -14.524 2.956 1.00 14.41 C ATOM 361 O GLU A 23 13.812 -15.515 2.233 1.00 20.41 O ATOM 362 CB GLU A 23 16.119 -15.137 3.977 1.00 33.50 C ATOM 363 CG GLU A 23 17.503 -14.732 4.462 1.00 22.53 C ATOM 364 CD GLU A 23 18.281 -15.897 5.069 1.00 3.11 C ATOM 365 OE1 GLU A 23 17.651 -16.767 5.713 1.00 14.24 O ATOM 366 OE2 GLU A 23 19.526 -15.874 4.947 1.00 3.02 O ATOM 0 H GLU A 23 14.747 -13.050 5.050 1.00 31.53 H new ATOM 0 HA GLU A 23 15.828 -13.695 2.389 1.00 53.43 H new ATOM 0 HB2 GLU A 23 15.545 -15.511 4.825 1.00 33.50 H new ATOM 0 HB3 GLU A 23 16.221 -15.962 3.272 1.00 33.50 H new ATOM 0 HG2 GLU A 23 18.069 -14.319 3.627 1.00 22.53 H new ATOM 0 HG3 GLU A 23 17.406 -13.940 5.204 1.00 22.53 H new ATOM 373 N ASP A 24 12.869 -13.893 3.473 1.00 72.53 N ATOM 374 CA ASP A 24 11.487 -14.217 3.129 1.00 15.24 C ATOM 375 C ASP A 24 11.036 -13.227 2.063 1.00 3.21 C ATOM 376 O ASP A 24 11.427 -12.061 2.114 1.00 2.00 O ATOM 377 CB ASP A 24 10.563 -14.062 4.348 1.00 74.21 C ATOM 378 CG ASP A 24 10.074 -15.380 4.947 1.00 53.42 C ATOM 379 OD1 ASP A 24 9.562 -16.236 4.191 1.00 34.43 O ATOM 380 OD2 ASP A 24 10.165 -15.548 6.189 1.00 13.34 O ATOM 0 H ASP A 24 12.952 -13.134 4.150 1.00 72.53 H new ATOM 0 HA ASP A 24 11.435 -15.249 2.781 1.00 15.24 H new ATOM 0 HB2 ASP A 24 11.092 -13.502 5.119 1.00 74.21 H new ATOM 0 HB3 ASP A 24 9.697 -13.467 4.058 1.00 74.21 H new ATOM 385 N SER A 25 10.177 -13.648 1.143 1.00 52.15 N ATOM 386 CA SER A 25 9.643 -12.820 0.065 1.00 33.54 C ATOM 387 C SER A 25 8.159 -12.558 0.298 1.00 71.33 C ATOM 388 O SER A 25 7.367 -13.501 0.296 1.00 3.22 O ATOM 389 CB SER A 25 9.911 -13.452 -1.318 1.00 13.11 C ATOM 390 OG SER A 25 10.458 -14.766 -1.264 1.00 15.42 O ATOM 0 H SER A 25 9.821 -14.604 1.125 1.00 52.15 H new ATOM 0 HA SER A 25 10.161 -11.861 0.071 1.00 33.54 H new ATOM 0 HB2 SER A 25 8.976 -13.482 -1.878 1.00 13.11 H new ATOM 0 HB3 SER A 25 10.594 -12.809 -1.873 1.00 13.11 H new ATOM 0 HG SER A 25 10.598 -15.100 -2.175 1.00 15.42 H new ATOM 396 N TYR A 26 7.782 -11.298 0.524 1.00 64.31 N ATOM 397 CA TYR A 26 6.401 -10.875 0.701 1.00 75.53 C ATOM 398 C TYR A 26 5.976 -10.055 -0.513 1.00 11.23 C ATOM 399 O TYR A 26 6.734 -9.203 -0.982 1.00 53.12 O ATOM 400 CB TYR A 26 6.278 -10.077 2.004 1.00 34.13 C ATOM 401 CG TYR A 26 6.845 -10.756 3.242 1.00 23.51 C ATOM 402 CD1 TYR A 26 6.823 -12.157 3.380 1.00 42.23 C ATOM 403 CD2 TYR A 26 7.429 -9.979 4.255 1.00 35.34 C ATOM 404 CE1 TYR A 26 7.343 -12.769 4.529 1.00 61.51 C ATOM 405 CE2 TYR A 26 7.933 -10.583 5.418 1.00 12.22 C ATOM 406 CZ TYR A 26 7.888 -11.984 5.566 1.00 0.01 C ATOM 407 OH TYR A 26 8.428 -12.580 6.662 1.00 22.44 O ATOM 0 H TYR A 26 8.449 -10.529 0.590 1.00 64.31 H new ATOM 0 HA TYR A 26 5.738 -11.737 0.777 1.00 75.53 H new ATOM 0 HB2 TYR A 26 6.782 -9.120 1.873 1.00 34.13 H new ATOM 0 HB3 TYR A 26 5.224 -9.861 2.180 1.00 34.13 H new ATOM 0 HD1 TYR A 26 6.402 -12.766 2.594 1.00 42.23 H new ATOM 0 HD2 TYR A 26 7.491 -8.907 4.139 1.00 35.34 H new ATOM 0 HE1 TYR A 26 7.326 -13.845 4.620 1.00 61.51 H new ATOM 0 HE2 TYR A 26 8.356 -9.972 6.202 1.00 12.22 H new ATOM 0 HH TYR A 26 9.154 -12.023 7.013 1.00 22.44 H new ATOM 417 N ASP A 27 4.762 -10.313 -0.997 1.00 1.20 N ATOM 418 CA ASP A 27 4.178 -9.803 -2.235 1.00 21.24 C ATOM 419 C ASP A 27 2.966 -8.986 -1.825 1.00 35.14 C ATOM 420 O ASP A 27 1.950 -9.549 -1.403 1.00 3.42 O ATOM 421 CB ASP A 27 3.711 -10.943 -3.154 1.00 1.22 C ATOM 422 CG ASP A 27 4.740 -11.406 -4.175 1.00 21.40 C ATOM 423 OD1 ASP A 27 5.192 -10.588 -5.007 1.00 21.51 O ATOM 424 OD2 ASP A 27 5.032 -12.624 -4.221 1.00 32.53 O ATOM 0 H ASP A 27 4.117 -10.926 -0.499 1.00 1.20 H new ATOM 0 HA ASP A 27 4.919 -9.220 -2.783 1.00 21.24 H new ATOM 0 HB2 ASP A 27 3.425 -11.794 -2.536 1.00 1.22 H new ATOM 0 HB3 ASP A 27 2.815 -10.619 -3.684 1.00 1.22 H new ATOM 429 N LEU A 28 3.085 -7.663 -1.825 1.00 24.40 N ATOM 430 CA LEU A 28 2.016 -6.768 -1.422 1.00 55.35 C ATOM 431 C LEU A 28 1.314 -6.201 -2.668 1.00 4.30 C ATOM 432 O LEU A 28 1.970 -5.889 -3.667 1.00 15.13 O ATOM 433 CB LEU A 28 2.577 -5.640 -0.548 1.00 2.24 C ATOM 434 CG LEU A 28 3.800 -5.993 0.328 1.00 33.21 C ATOM 435 CD1 LEU A 28 4.087 -4.794 1.215 1.00 11.10 C ATOM 436 CD2 LEU A 28 3.718 -7.226 1.238 1.00 14.04 C ATOM 0 H LEU A 28 3.938 -7.180 -2.109 1.00 24.40 H new ATOM 0 HA LEU A 28 1.283 -7.321 -0.835 1.00 55.35 H new ATOM 0 HB2 LEU A 28 2.851 -4.808 -1.197 1.00 2.24 H new ATOM 0 HB3 LEU A 28 1.780 -5.285 0.105 1.00 2.24 H new ATOM 0 HG LEU A 28 4.576 -6.247 -0.394 1.00 33.21 H new ATOM 0 HD11 LEU A 28 4.947 -5.008 1.849 1.00 11.10 H new ATOM 0 HD12 LEU A 28 4.302 -3.925 0.593 1.00 11.10 H new ATOM 0 HD13 LEU A 28 3.218 -4.587 1.840 1.00 11.10 H new ATOM 0 HD21 LEU A 28 4.654 -7.337 1.786 1.00 14.04 H new ATOM 0 HD22 LEU A 28 2.897 -7.103 1.944 1.00 14.04 H new ATOM 0 HD23 LEU A 28 3.545 -8.115 0.631 1.00 14.04 H new ATOM 448 N PRO A 29 -0.008 -5.989 -2.626 1.00 42.21 N ATOM 449 CA PRO A 29 -0.742 -5.435 -3.758 1.00 35.13 C ATOM 450 C PRO A 29 -0.520 -3.923 -3.854 1.00 65.01 C ATOM 451 O PRO A 29 -0.244 -3.284 -2.832 1.00 23.00 O ATOM 452 CB PRO A 29 -2.204 -5.759 -3.455 1.00 14.43 C ATOM 453 CG PRO A 29 -2.266 -5.747 -1.933 1.00 55.15 C ATOM 454 CD PRO A 29 -0.888 -6.254 -1.502 1.00 60.23 C ATOM 0 HA PRO A 29 -0.419 -5.849 -4.713 1.00 35.13 H new ATOM 0 HB2 PRO A 29 -2.877 -5.020 -3.889 1.00 14.43 H new ATOM 0 HB3 PRO A 29 -2.492 -6.729 -3.860 1.00 14.43 H new ATOM 0 HG2 PRO A 29 -2.461 -4.745 -1.549 1.00 55.15 H new ATOM 0 HG3 PRO A 29 -3.063 -6.391 -1.561 1.00 55.15 H new ATOM 0 HD2 PRO A 29 -0.544 -5.740 -0.605 1.00 60.23 H new ATOM 0 HD3 PRO A 29 -0.917 -7.318 -1.269 1.00 60.23 H new ATOM 462 N ALA A 30 -0.705 -3.318 -5.042 1.00 63.32 N ATOM 463 CA ALA A 30 -0.559 -1.862 -5.165 1.00 1.54 C ATOM 464 C ALA A 30 -1.494 -1.135 -4.192 1.00 53.14 C ATOM 465 O ALA A 30 -1.101 -0.150 -3.566 1.00 43.15 O ATOM 466 CB ALA A 30 -0.834 -1.319 -6.577 1.00 74.04 C ATOM 0 H ALA A 30 -0.949 -3.801 -5.906 1.00 63.32 H new ATOM 0 HA ALA A 30 0.488 -1.669 -4.930 1.00 1.54 H new ATOM 0 HB1 ALA A 30 -0.705 -0.237 -6.582 1.00 74.04 H new ATOM 0 HB2 ALA A 30 -0.137 -1.771 -7.283 1.00 74.04 H new ATOM 0 HB3 ALA A 30 -1.855 -1.564 -6.868 1.00 74.04 H new ATOM 472 N GLU A 31 -2.734 -1.626 -4.078 1.00 32.31 N ATOM 473 CA GLU A 31 -3.785 -0.985 -3.299 1.00 5.40 C ATOM 474 C GLU A 31 -3.368 -0.828 -1.836 1.00 11.32 C ATOM 475 O GLU A 31 -3.560 0.238 -1.257 1.00 34.01 O ATOM 476 CB GLU A 31 -5.131 -1.716 -3.471 1.00 51.54 C ATOM 477 CG GLU A 31 -5.424 -2.892 -2.543 1.00 21.32 C ATOM 478 CD GLU A 31 -6.787 -3.527 -2.851 1.00 10.40 C ATOM 479 OE1 GLU A 31 -7.825 -2.898 -2.533 1.00 45.31 O ATOM 480 OE2 GLU A 31 -6.787 -4.676 -3.360 1.00 54.51 O ATOM 0 H GLU A 31 -3.033 -2.489 -4.531 1.00 32.31 H new ATOM 0 HA GLU A 31 -3.935 0.023 -3.685 1.00 5.40 H new ATOM 0 HB2 GLU A 31 -5.929 -0.984 -3.346 1.00 51.54 H new ATOM 0 HB3 GLU A 31 -5.188 -2.077 -4.498 1.00 51.54 H new ATOM 0 HG2 GLU A 31 -4.640 -3.642 -2.647 1.00 21.32 H new ATOM 0 HG3 GLU A 31 -5.405 -2.553 -1.507 1.00 21.32 H new ATOM 487 N PHE A 32 -2.747 -1.860 -1.255 1.00 65.24 N ATOM 488 CA PHE A 32 -2.307 -1.882 0.137 1.00 13.21 C ATOM 489 C PHE A 32 -1.321 -0.745 0.407 1.00 54.12 C ATOM 490 O PHE A 32 -1.533 0.047 1.325 1.00 54.55 O ATOM 491 CB PHE A 32 -1.701 -3.258 0.430 1.00 33.14 C ATOM 492 CG PHE A 32 -0.930 -3.398 1.718 1.00 62.24 C ATOM 493 CD1 PHE A 32 -1.580 -3.798 2.896 1.00 24.20 C ATOM 494 CD2 PHE A 32 0.460 -3.193 1.717 1.00 73.35 C ATOM 495 CE1 PHE A 32 -0.838 -3.986 4.071 1.00 44.34 C ATOM 496 CE2 PHE A 32 1.194 -3.358 2.896 1.00 12.40 C ATOM 497 CZ PHE A 32 0.550 -3.766 4.074 1.00 45.32 C ATOM 0 H PHE A 32 -2.533 -2.723 -1.755 1.00 65.24 H new ATOM 0 HA PHE A 32 -3.152 -1.722 0.807 1.00 13.21 H new ATOM 0 HB2 PHE A 32 -2.508 -3.991 0.435 1.00 33.14 H new ATOM 0 HB3 PHE A 32 -1.037 -3.520 -0.394 1.00 33.14 H new ATOM 0 HD1 PHE A 32 -2.648 -3.960 2.897 1.00 24.20 H new ATOM 0 HD2 PHE A 32 0.962 -2.908 0.805 1.00 73.35 H new ATOM 0 HE1 PHE A 32 -1.335 -4.301 4.977 1.00 44.34 H new ATOM 0 HE2 PHE A 32 2.258 -3.171 2.900 1.00 12.40 H new ATOM 0 HZ PHE A 32 1.119 -3.911 4.980 1.00 45.32 H new ATOM 507 N LEU A 33 -0.277 -0.629 -0.424 1.00 24.44 N ATOM 508 CA LEU A 33 0.709 0.445 -0.301 1.00 52.20 C ATOM 509 C LEU A 33 0.007 1.785 -0.425 1.00 43.34 C ATOM 510 O LEU A 33 0.229 2.656 0.405 1.00 45.23 O ATOM 511 CB LEU A 33 1.817 0.329 -1.360 1.00 13.45 C ATOM 512 CG LEU A 33 2.688 -0.922 -1.139 1.00 22.31 C ATOM 513 CD1 LEU A 33 2.764 -1.755 -2.418 1.00 24.31 C ATOM 514 CD2 LEU A 33 4.083 -0.559 -0.620 1.00 70.34 C ATOM 0 H LEU A 33 -0.095 -1.273 -1.194 1.00 24.44 H new ATOM 0 HA LEU A 33 1.184 0.361 0.676 1.00 52.20 H new ATOM 0 HB2 LEU A 33 1.369 0.289 -2.353 1.00 13.45 H new ATOM 0 HB3 LEU A 33 2.445 1.220 -1.329 1.00 13.45 H new ATOM 0 HG LEU A 33 2.213 -1.528 -0.367 1.00 22.31 H new ATOM 0 HD11 LEU A 33 3.383 -2.635 -2.243 1.00 24.31 H new ATOM 0 HD12 LEU A 33 1.761 -2.069 -2.708 1.00 24.31 H new ATOM 0 HD13 LEU A 33 3.202 -1.156 -3.217 1.00 24.31 H new ATOM 0 HD21 LEU A 33 4.666 -1.469 -0.477 1.00 70.34 H new ATOM 0 HD22 LEU A 33 4.585 0.084 -1.344 1.00 70.34 H new ATOM 0 HD23 LEU A 33 3.992 -0.033 0.330 1.00 70.34 H new ATOM 526 N ARG A 34 -0.847 1.957 -1.438 1.00 5.15 N ATOM 527 CA ARG A 34 -1.539 3.216 -1.668 1.00 50.40 C ATOM 528 C ARG A 34 -2.358 3.639 -0.455 1.00 53.40 C ATOM 529 O ARG A 34 -2.249 4.794 -0.052 1.00 2.45 O ATOM 530 CB ARG A 34 -2.388 3.103 -2.951 1.00 3.53 C ATOM 531 CG ARG A 34 -3.357 4.270 -3.200 1.00 30.22 C ATOM 532 CD ARG A 34 -2.620 5.611 -3.269 1.00 4.43 C ATOM 533 NE ARG A 34 -3.499 6.727 -3.627 1.00 22.13 N ATOM 534 CZ ARG A 34 -3.222 8.027 -3.483 1.00 33.24 C ATOM 535 NH1 ARG A 34 -2.063 8.409 -2.950 1.00 71.02 N ATOM 536 NH2 ARG A 34 -4.115 8.932 -3.860 1.00 72.40 N ATOM 0 H ARG A 34 -1.073 1.228 -2.115 1.00 5.15 H new ATOM 0 HA ARG A 34 -0.805 4.008 -1.815 1.00 50.40 H new ATOM 0 HB2 ARG A 34 -1.717 3.021 -3.806 1.00 3.53 H new ATOM 0 HB3 ARG A 34 -2.963 2.178 -2.907 1.00 3.53 H new ATOM 0 HG2 ARG A 34 -3.897 4.103 -4.132 1.00 30.22 H new ATOM 0 HG3 ARG A 34 -4.100 4.303 -2.403 1.00 30.22 H new ATOM 0 HD2 ARG A 34 -2.157 5.815 -2.304 1.00 4.43 H new ATOM 0 HD3 ARG A 34 -1.815 5.540 -4.000 1.00 4.43 H new ATOM 0 HE ARG A 34 -4.408 6.490 -4.024 1.00 22.13 H new ATOM 0 HH11 ARG A 34 -1.384 7.709 -2.651 1.00 71.02 H new ATOM 0 HH12 ARG A 34 -1.854 9.401 -2.841 1.00 71.02 H new ATOM 0 HH21 ARG A 34 -5.006 8.635 -4.257 1.00 72.40 H new ATOM 0 HH22 ARG A 34 -3.911 9.926 -3.753 1.00 72.40 H new ATOM 550 N VAL A 35 -3.216 2.783 0.098 1.00 50.52 N ATOM 551 CA VAL A 35 -4.054 3.189 1.227 1.00 74.44 C ATOM 552 C VAL A 35 -3.165 3.491 2.436 1.00 71.00 C ATOM 553 O VAL A 35 -3.290 4.571 3.019 1.00 43.30 O ATOM 554 CB VAL A 35 -5.204 2.188 1.470 1.00 51.32 C ATOM 555 CG1 VAL A 35 -6.068 2.144 0.193 1.00 44.52 C ATOM 556 CG2 VAL A 35 -4.777 0.774 1.884 1.00 34.13 C ATOM 0 H VAL A 35 -3.349 1.820 -0.210 1.00 50.52 H new ATOM 0 HA VAL A 35 -4.576 4.119 1.003 1.00 74.44 H new ATOM 0 HB VAL A 35 -5.762 2.552 2.332 1.00 51.32 H new ATOM 0 HG11 VAL A 35 -6.891 1.443 0.334 1.00 44.52 H new ATOM 0 HG12 VAL A 35 -6.468 3.137 -0.010 1.00 44.52 H new ATOM 0 HG13 VAL A 35 -5.456 1.820 -0.649 1.00 44.52 H new ATOM 0 HG21 VAL A 35 -5.662 0.154 2.028 1.00 34.13 H new ATOM 0 HG22 VAL A 35 -4.153 0.339 1.103 1.00 34.13 H new ATOM 0 HG23 VAL A 35 -4.212 0.822 2.815 1.00 34.13 H new ATOM 566 N HIS A 36 -2.199 2.618 2.737 1.00 5.25 N ATOM 567 CA HIS A 36 -1.273 2.787 3.848 1.00 23.42 C ATOM 568 C HIS A 36 -0.025 3.572 3.402 1.00 53.40 C ATOM 569 O HIS A 36 1.106 3.184 3.704 1.00 11.45 O ATOM 570 CB HIS A 36 -0.971 1.413 4.491 1.00 42.23 C ATOM 571 CG HIS A 36 -0.877 1.435 6.003 1.00 61.21 C ATOM 572 ND1 HIS A 36 -0.927 2.544 6.824 1.00 65.40 N ATOM 573 CD2 HIS A 36 -0.865 0.330 6.815 1.00 50.42 C ATOM 574 CE1 HIS A 36 -0.939 2.113 8.095 1.00 71.34 C ATOM 575 NE2 HIS A 36 -0.897 0.770 8.143 1.00 41.40 N ATOM 0 H HIS A 36 -2.041 1.763 2.204 1.00 5.25 H new ATOM 0 HA HIS A 36 -1.727 3.395 4.631 1.00 23.42 H new ATOM 0 HB2 HIS A 36 -1.750 0.710 4.198 1.00 42.23 H new ATOM 0 HB3 HIS A 36 -0.032 1.035 4.086 1.00 42.23 H new ATOM 0 HD2 HIS A 36 -0.836 -0.699 6.487 1.00 50.42 H new ATOM 0 HE1 HIS A 36 -0.977 2.757 8.961 1.00 71.34 H new ATOM 0 HE2 HIS A 36 -0.890 0.188 8.981 1.00 41.40 H new ATOM 583 N SER A 37 -0.202 4.686 2.682 1.00 53.53 N ATOM 584 CA SER A 37 0.894 5.558 2.264 1.00 52.32 C ATOM 585 C SER A 37 0.723 6.939 2.922 1.00 44.14 C ATOM 586 O SER A 37 -0.410 7.407 3.069 1.00 31.31 O ATOM 587 CB SER A 37 0.968 5.602 0.736 1.00 30.01 C ATOM 588 OG SER A 37 1.766 6.642 0.196 1.00 63.12 O ATOM 0 H SER A 37 -1.119 5.007 2.372 1.00 53.53 H new ATOM 0 HA SER A 37 1.855 5.169 2.601 1.00 52.32 H new ATOM 0 HB2 SER A 37 1.356 4.647 0.380 1.00 30.01 H new ATOM 0 HB3 SER A 37 -0.044 5.702 0.343 1.00 30.01 H new ATOM 0 HG SER A 37 1.754 6.589 -0.782 1.00 63.12 H new ATOM 594 N PRO A 38 1.831 7.601 3.297 1.00 52.10 N ATOM 595 CA PRO A 38 1.838 8.886 3.992 1.00 62.30 C ATOM 596 C PRO A 38 1.827 10.096 3.051 1.00 32.33 C ATOM 597 O PRO A 38 2.011 9.974 1.834 1.00 33.34 O ATOM 598 CB PRO A 38 3.137 8.855 4.795 1.00 71.34 C ATOM 599 CG PRO A 38 4.076 8.078 3.887 1.00 23.12 C ATOM 600 CD PRO A 38 3.156 7.003 3.355 1.00 74.50 C ATOM 0 HA PRO A 38 0.939 9.005 4.597 1.00 62.30 H new ATOM 0 HB2 PRO A 38 3.510 9.859 4.999 1.00 71.34 H new ATOM 0 HB3 PRO A 38 3.005 8.362 5.758 1.00 71.34 H new ATOM 0 HG2 PRO A 38 4.485 8.700 3.090 1.00 23.12 H new ATOM 0 HG3 PRO A 38 4.923 7.661 4.432 1.00 23.12 H new ATOM 0 HD2 PRO A 38 3.477 6.668 2.368 1.00 74.50 H new ATOM 0 HD3 PRO A 38 3.161 6.128 4.005 1.00 74.50 H new ATOM 608 N SER A 39 1.659 11.285 3.637 1.00 53.10 N ATOM 609 CA SER A 39 1.427 12.548 2.962 1.00 70.43 C ATOM 610 C SER A 39 2.647 13.479 3.009 1.00 23.13 C ATOM 611 O SER A 39 2.669 14.495 3.710 1.00 61.24 O ATOM 612 CB SER A 39 0.128 13.172 3.488 1.00 31.45 C ATOM 613 OG SER A 39 -0.285 12.698 4.766 1.00 51.24 O ATOM 0 H SER A 39 1.684 11.389 4.651 1.00 53.10 H new ATOM 0 HA SER A 39 1.290 12.367 1.896 1.00 70.43 H new ATOM 0 HB2 SER A 39 0.256 14.253 3.540 1.00 31.45 H new ATOM 0 HB3 SER A 39 -0.669 12.979 2.769 1.00 31.45 H new ATOM 0 HG SER A 39 -1.117 13.145 5.028 1.00 51.24 H new ATOM 736 N VAL A 49 -7.250 8.428 8.091 1.00 5.23 N ATOM 737 CA VAL A 49 -8.567 8.400 7.460 1.00 53.10 C ATOM 738 C VAL A 49 -8.638 7.139 6.608 1.00 31.43 C ATOM 739 O VAL A 49 -7.633 6.704 6.039 1.00 65.10 O ATOM 740 CB VAL A 49 -8.776 9.660 6.589 1.00 43.50 C ATOM 741 CG1 VAL A 49 -10.049 9.598 5.730 1.00 2.42 C ATOM 742 CG2 VAL A 49 -8.835 10.935 7.437 1.00 63.34 C ATOM 0 HA VAL A 49 -9.354 8.393 8.215 1.00 53.10 H new ATOM 0 HB VAL A 49 -7.910 9.688 5.928 1.00 43.50 H new ATOM 0 HG11 VAL A 49 -10.137 10.512 5.143 1.00 2.42 H new ATOM 0 HG12 VAL A 49 -9.994 8.740 5.060 1.00 2.42 H new ATOM 0 HG13 VAL A 49 -10.920 9.498 6.377 1.00 2.42 H new ATOM 0 HG21 VAL A 49 -8.983 11.798 6.787 1.00 63.34 H new ATOM 0 HG22 VAL A 49 -9.664 10.865 8.142 1.00 63.34 H new ATOM 0 HG23 VAL A 49 -7.901 11.050 7.986 1.00 63.34 H new ATOM 752 N LEU A 50 -9.838 6.577 6.465 1.00 10.23 N ATOM 753 CA LEU A 50 -10.083 5.451 5.591 1.00 50.44 C ATOM 754 C LEU A 50 -10.000 5.867 4.132 1.00 12.13 C ATOM 755 O LEU A 50 -10.855 6.578 3.601 1.00 64.12 O ATOM 756 CB LEU A 50 -11.435 4.817 5.916 1.00 32.15 C ATOM 757 CG LEU A 50 -11.683 3.550 5.083 1.00 71.40 C ATOM 758 CD1 LEU A 50 -10.617 2.476 5.349 1.00 10.22 C ATOM 759 CD2 LEU A 50 -13.070 3.035 5.430 1.00 22.11 C ATOM 0 H LEU A 50 -10.669 6.900 6.961 1.00 10.23 H new ATOM 0 HA LEU A 50 -9.308 4.703 5.759 1.00 50.44 H new ATOM 0 HB2 LEU A 50 -11.475 4.569 6.977 1.00 32.15 H new ATOM 0 HB3 LEU A 50 -12.230 5.538 5.727 1.00 32.15 H new ATOM 0 HG LEU A 50 -11.618 3.790 4.022 1.00 71.40 H new ATOM 0 HD11 LEU A 50 -10.828 1.596 4.741 1.00 10.22 H new ATOM 0 HD12 LEU A 50 -9.633 2.868 5.091 1.00 10.22 H new ATOM 0 HD13 LEU A 50 -10.633 2.201 6.404 1.00 10.22 H new ATOM 0 HD21 LEU A 50 -13.278 2.133 4.854 1.00 22.11 H new ATOM 0 HD22 LEU A 50 -13.117 2.804 6.494 1.00 22.11 H new ATOM 0 HD23 LEU A 50 -13.812 3.797 5.191 1.00 22.11 H new ATOM 771 N GLN A 51 -8.937 5.400 3.497 1.00 22.23 N ATOM 772 CA GLN A 51 -8.658 5.496 2.087 1.00 54.30 C ATOM 773 C GLN A 51 -9.281 4.245 1.453 1.00 43.13 C ATOM 774 O GLN A 51 -8.791 3.141 1.699 1.00 63.14 O ATOM 775 CB GLN A 51 -7.129 5.537 1.951 1.00 64.44 C ATOM 776 CG GLN A 51 -6.521 6.740 2.696 1.00 43.11 C ATOM 777 CD GLN A 51 -6.600 8.048 1.925 1.00 51.31 C ATOM 778 OE1 GLN A 51 -7.253 8.172 0.890 1.00 73.43 O ATOM 779 NE2 GLN A 51 -5.948 9.076 2.418 1.00 23.02 N ATOM 0 H GLN A 51 -8.196 4.909 3.998 1.00 22.23 H new ATOM 0 HA GLN A 51 -9.067 6.378 1.595 1.00 54.30 H new ATOM 0 HB2 GLN A 51 -6.704 4.613 2.344 1.00 64.44 H new ATOM 0 HB3 GLN A 51 -6.859 5.588 0.896 1.00 64.44 H new ATOM 0 HG2 GLN A 51 -7.034 6.861 3.650 1.00 43.11 H new ATOM 0 HG3 GLN A 51 -5.476 6.525 2.921 1.00 43.11 H new ATOM 0 HE21 GLN A 51 -5.407 8.973 3.276 1.00 23.02 H new ATOM 0 HE22 GLN A 51 -5.983 9.978 1.943 1.00 23.02 H new ATOM 788 N TYR A 52 -10.361 4.382 0.681 1.00 2.51 N ATOM 789 CA TYR A 52 -11.060 3.278 0.012 1.00 42.31 C ATOM 790 C TYR A 52 -11.128 3.533 -1.489 1.00 52.54 C ATOM 791 O TYR A 52 -10.687 4.582 -1.959 1.00 11.43 O ATOM 792 CB TYR A 52 -12.480 3.103 0.566 1.00 24.25 C ATOM 793 CG TYR A 52 -13.395 4.279 0.278 1.00 1.52 C ATOM 794 CD1 TYR A 52 -13.328 5.434 1.080 1.00 53.44 C ATOM 795 CD2 TYR A 52 -14.278 4.243 -0.820 1.00 44.12 C ATOM 796 CE1 TYR A 52 -14.142 6.538 0.782 1.00 74.40 C ATOM 797 CE2 TYR A 52 -15.120 5.335 -1.097 1.00 64.21 C ATOM 798 CZ TYR A 52 -15.058 6.490 -0.287 1.00 34.11 C ATOM 799 OH TYR A 52 -15.890 7.548 -0.493 1.00 50.10 O ATOM 0 H TYR A 52 -10.787 5.290 0.497 1.00 2.51 H new ATOM 0 HA TYR A 52 -10.499 2.363 0.203 1.00 42.31 H new ATOM 0 HB2 TYR A 52 -12.918 2.200 0.140 1.00 24.25 H new ATOM 0 HB3 TYR A 52 -12.424 2.953 1.644 1.00 24.25 H new ATOM 0 HD1 TYR A 52 -12.652 5.471 1.922 1.00 53.44 H new ATOM 0 HD2 TYR A 52 -14.308 3.369 -1.454 1.00 44.12 H new ATOM 0 HE1 TYR A 52 -14.065 7.435 1.379 1.00 74.40 H new ATOM 0 HE2 TYR A 52 -15.811 5.290 -1.926 1.00 64.21 H new ATOM 0 HH TYR A 52 -16.463 7.368 -1.268 1.00 50.10 H new ATOM 809 N GLY A 53 -11.669 2.567 -2.230 1.00 54.24 N ATOM 810 CA GLY A 53 -11.830 2.658 -3.678 1.00 34.42 C ATOM 811 C GLY A 53 -10.594 2.230 -4.483 1.00 1.52 C ATOM 812 O GLY A 53 -10.431 2.688 -5.618 1.00 74.32 O ATOM 0 H GLY A 53 -12.011 1.690 -1.836 1.00 54.24 H new ATOM 0 HA2 GLY A 53 -12.675 2.038 -3.977 1.00 34.42 H new ATOM 0 HA3 GLY A 53 -12.080 3.686 -3.939 1.00 34.42 H new ATOM 816 N LYS A 54 -9.678 1.432 -3.916 1.00 74.31 N ATOM 817 CA LYS A 54 -8.376 1.120 -4.514 1.00 4.15 C ATOM 818 C LYS A 54 -8.308 -0.317 -5.062 1.00 33.24 C ATOM 819 O LYS A 54 -7.223 -0.737 -5.460 1.00 64.03 O ATOM 820 CB LYS A 54 -7.227 1.438 -3.527 1.00 43.43 C ATOM 821 CG LYS A 54 -6.891 2.927 -3.328 1.00 71.13 C ATOM 822 CD LYS A 54 -7.989 3.701 -2.607 1.00 53.40 C ATOM 823 CE LYS A 54 -7.560 5.056 -2.037 1.00 44.24 C ATOM 824 NZ LYS A 54 -7.600 6.141 -3.033 1.00 51.20 N ATOM 0 H LYS A 54 -9.825 0.979 -3.014 1.00 74.31 H new ATOM 0 HA LYS A 54 -8.249 1.768 -5.381 1.00 4.15 H new ATOM 0 HB2 LYS A 54 -7.482 1.012 -2.557 1.00 43.43 H new ATOM 0 HB3 LYS A 54 -6.328 0.928 -3.873 1.00 43.43 H new ATOM 0 HG2 LYS A 54 -5.964 3.011 -2.760 1.00 71.13 H new ATOM 0 HG3 LYS A 54 -6.712 3.385 -4.301 1.00 71.13 H new ATOM 0 HD2 LYS A 54 -8.815 3.861 -3.300 1.00 53.40 H new ATOM 0 HD3 LYS A 54 -8.371 3.086 -1.792 1.00 53.40 H new ATOM 0 HE2 LYS A 54 -8.210 5.314 -1.201 1.00 44.24 H new ATOM 0 HE3 LYS A 54 -6.548 4.973 -1.640 1.00 44.24 H new ATOM 0 HZ1 LYS A 54 -7.283 7.028 -2.593 1.00 51.20 H new ATOM 0 HZ2 LYS A 54 -6.972 5.906 -3.828 1.00 51.20 H new ATOM 0 HZ3 LYS A 54 -8.573 6.256 -3.382 1.00 51.20 H new ATOM 838 N LEU A 55 -9.419 -1.061 -5.160 1.00 32.22 N ATOM 839 CA LEU A 55 -9.418 -2.480 -5.551 1.00 13.10 C ATOM 840 C LEU A 55 -8.630 -2.751 -6.829 1.00 12.50 C ATOM 841 O LEU A 55 -8.021 -3.812 -6.960 1.00 24.04 O ATOM 842 CB LEU A 55 -10.853 -3.028 -5.731 1.00 22.42 C ATOM 843 CG LEU A 55 -10.922 -4.564 -5.904 1.00 52.22 C ATOM 844 CD1 LEU A 55 -10.407 -5.305 -4.662 1.00 0.52 C ATOM 845 CD2 LEU A 55 -12.369 -5.008 -6.134 1.00 23.30 C ATOM 0 H LEU A 55 -10.351 -0.693 -4.969 1.00 32.22 H new ATOM 0 HA LEU A 55 -8.925 -2.997 -4.728 1.00 13.10 H new ATOM 0 HB2 LEU A 55 -11.451 -2.743 -4.866 1.00 22.42 H new ATOM 0 HB3 LEU A 55 -11.306 -2.554 -6.602 1.00 22.42 H new ATOM 0 HG LEU A 55 -10.294 -4.809 -6.761 1.00 52.22 H new ATOM 0 HD11 LEU A 55 -10.473 -6.380 -4.826 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -9.369 -5.029 -4.478 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -11.013 -5.032 -3.798 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -12.403 -6.091 -6.254 1.00 23.30 H new ATOM 0 HD22 LEU A 55 -12.979 -4.719 -5.278 1.00 23.30 H new ATOM 0 HD23 LEU A 55 -12.757 -4.531 -7.034 1.00 23.30 H new ATOM 857 N ASN A 56 -8.650 -1.810 -7.774 1.00 22.43 N ATOM 858 CA ASN A 56 -8.129 -2.007 -9.118 1.00 5.53 C ATOM 859 C ASN A 56 -6.923 -1.112 -9.385 1.00 50.25 C ATOM 860 O ASN A 56 -6.527 -0.980 -10.548 1.00 4.31 O ATOM 861 CB ASN A 56 -9.242 -1.785 -10.152 1.00 5.53 C ATOM 862 CG ASN A 56 -10.448 -2.664 -9.872 1.00 24.33 C ATOM 863 OD1 ASN A 56 -10.361 -3.890 -9.950 1.00 31.00 O ATOM 864 ND2 ASN A 56 -11.550 -2.047 -9.483 1.00 52.23 N ATOM 0 H ASN A 56 -9.035 -0.878 -7.620 1.00 22.43 H new ATOM 0 HA ASN A 56 -7.782 -3.036 -9.207 1.00 5.53 H new ATOM 0 HB2 ASN A 56 -9.544 -0.738 -10.143 1.00 5.53 H new ATOM 0 HB3 ASN A 56 -8.860 -1.998 -11.150 1.00 5.53 H new ATOM 0 HD21 ASN A 56 -12.376 -2.589 -9.232 1.00 52.23 H new ATOM 0 HD22 ASN A 56 -11.574 -1.028 -9.434 1.00 52.23 H new ATOM 871 N VAL A 57 -6.330 -0.496 -8.356 1.00 42.54 N ATOM 872 CA VAL A 57 -5.080 0.245 -8.502 1.00 54.45 C ATOM 873 C VAL A 57 -4.051 -0.663 -9.146 1.00 24.33 C ATOM 874 O VAL A 57 -4.035 -1.872 -8.895 1.00 30.11 O ATOM 875 CB VAL A 57 -4.593 0.777 -7.138 1.00 41.44 C ATOM 876 CG1 VAL A 57 -3.218 1.473 -7.180 1.00 72.10 C ATOM 877 CG2 VAL A 57 -5.571 1.809 -6.613 1.00 31.44 C ATOM 0 H VAL A 57 -6.703 -0.499 -7.407 1.00 42.54 H new ATOM 0 HA VAL A 57 -5.238 1.114 -9.140 1.00 54.45 H new ATOM 0 HB VAL A 57 -4.516 -0.106 -6.504 1.00 41.44 H new ATOM 0 HG11 VAL A 57 -2.953 1.816 -6.180 1.00 72.10 H new ATOM 0 HG12 VAL A 57 -2.465 0.769 -7.534 1.00 72.10 H new ATOM 0 HG13 VAL A 57 -3.263 2.327 -7.856 1.00 72.10 H new ATOM 0 HG21 VAL A 57 -5.224 2.182 -5.650 1.00 31.44 H new ATOM 0 HG22 VAL A 57 -5.641 2.636 -7.319 1.00 31.44 H new ATOM 0 HG23 VAL A 57 -6.553 1.351 -6.492 1.00 31.44 H new ATOM 887 N GLY A 58 -3.166 -0.065 -9.936 1.00 32.31 N ATOM 888 CA GLY A 58 -1.960 -0.709 -10.382 1.00 74.44 C ATOM 889 C GLY A 58 -0.748 0.152 -10.106 1.00 1.14 C ATOM 890 O GLY A 58 -0.817 1.381 -10.058 1.00 34.12 O ATOM 0 H GLY A 58 -3.277 0.888 -10.282 1.00 32.31 H new ATOM 0 HA2 GLY A 58 -1.850 -1.669 -9.879 1.00 74.44 H new ATOM 0 HA3 GLY A 58 -2.028 -0.915 -11.450 1.00 74.44 H new ATOM 894 N LEU A 59 0.391 -0.508 -9.924 1.00 54.43 N ATOM 895 CA LEU A 59 1.669 0.137 -9.785 1.00 4.12 C ATOM 896 C LEU A 59 2.217 0.473 -11.163 1.00 44.51 C ATOM 897 O LEU A 59 2.306 -0.389 -12.037 1.00 72.15 O ATOM 898 CB LEU A 59 2.618 -0.791 -9.018 1.00 70.31 C ATOM 899 CG LEU A 59 3.350 -0.074 -7.882 1.00 54.33 C ATOM 900 CD1 LEU A 59 4.204 1.076 -8.398 1.00 24.12 C ATOM 901 CD2 LEU A 59 2.372 0.324 -6.775 1.00 54.44 C ATOM 0 H LEU A 59 0.441 -1.525 -9.870 1.00 54.43 H new ATOM 0 HA LEU A 59 1.568 1.066 -9.224 1.00 4.12 H new ATOM 0 HB2 LEU A 59 2.051 -1.627 -8.609 1.00 70.31 H new ATOM 0 HB3 LEU A 59 3.349 -1.209 -9.710 1.00 70.31 H new ATOM 0 HG LEU A 59 4.057 -0.768 -7.428 1.00 54.33 H new ATOM 0 HD11 LEU A 59 4.707 1.560 -7.561 1.00 24.12 H new ATOM 0 HD12 LEU A 59 4.948 0.692 -9.096 1.00 24.12 H new ATOM 0 HD13 LEU A 59 3.569 1.801 -8.907 1.00 24.12 H new ATOM 0 HD21 LEU A 59 2.913 0.832 -5.977 1.00 54.44 H new ATOM 0 HD22 LEU A 59 1.614 0.993 -7.182 1.00 54.44 H new ATOM 0 HD23 LEU A 59 1.891 -0.569 -6.376 1.00 54.44 H new ATOM 913 N VAL A 60 2.584 1.734 -11.343 1.00 4.15 N ATOM 914 CA VAL A 60 3.150 2.302 -12.561 1.00 45.13 C ATOM 915 C VAL A 60 4.675 2.365 -12.501 1.00 54.12 C ATOM 916 O VAL A 60 5.338 2.169 -13.525 1.00 14.23 O ATOM 917 CB VAL A 60 2.531 3.695 -12.813 1.00 70.22 C ATOM 918 CG1 VAL A 60 1.255 3.547 -13.646 1.00 61.41 C ATOM 919 CG2 VAL A 60 2.177 4.447 -11.526 1.00 65.30 C ATOM 0 H VAL A 60 2.490 2.428 -10.602 1.00 4.15 H new ATOM 0 HA VAL A 60 2.903 1.650 -13.399 1.00 45.13 H new ATOM 0 HB VAL A 60 3.290 4.275 -13.338 1.00 70.22 H new ATOM 0 HG11 VAL A 60 0.820 4.531 -13.823 1.00 61.41 H new ATOM 0 HG12 VAL A 60 1.496 3.080 -14.601 1.00 61.41 H new ATOM 0 HG13 VAL A 60 0.540 2.925 -13.108 1.00 61.41 H new ATOM 0 HG21 VAL A 60 1.747 5.417 -11.778 1.00 65.30 H new ATOM 0 HG22 VAL A 60 1.453 3.867 -10.953 1.00 65.30 H new ATOM 0 HG23 VAL A 60 3.078 4.593 -10.930 1.00 65.30 H new ATOM 929 N GLY A 61 5.239 2.586 -11.316 1.00 74.20 N ATOM 930 CA GLY A 61 6.673 2.659 -11.136 1.00 13.14 C ATOM 931 C GLY A 61 7.038 2.999 -9.703 1.00 33.35 C ATOM 932 O GLY A 61 6.196 3.397 -8.898 1.00 53.51 O ATOM 0 H GLY A 61 4.707 2.719 -10.456 1.00 74.20 H new ATOM 0 HA2 GLY A 61 7.124 1.706 -11.411 1.00 13.14 H new ATOM 0 HA3 GLY A 61 7.087 3.412 -11.806 1.00 13.14 H new ATOM 936 N VAL A 62 8.310 2.810 -9.388 1.00 33.54 N ATOM 937 CA VAL A 62 8.899 2.944 -8.066 1.00 14.21 C ATOM 938 C VAL A 62 10.333 3.372 -8.322 1.00 53.14 C ATOM 939 O VAL A 62 10.983 2.779 -9.188 1.00 43.13 O ATOM 940 CB VAL A 62 8.848 1.575 -7.356 1.00 43.00 C ATOM 941 CG1 VAL A 62 9.609 1.541 -6.038 1.00 14.44 C ATOM 942 CG2 VAL A 62 7.417 1.107 -7.125 1.00 10.31 C ATOM 0 H VAL A 62 8.999 2.543 -10.091 1.00 33.54 H new ATOM 0 HA VAL A 62 8.379 3.661 -7.431 1.00 14.21 H new ATOM 0 HB VAL A 62 9.348 0.890 -8.041 1.00 43.00 H new ATOM 0 HG11 VAL A 62 9.528 0.547 -5.597 1.00 14.44 H new ATOM 0 HG12 VAL A 62 10.658 1.774 -6.218 1.00 14.44 H new ATOM 0 HG13 VAL A 62 9.186 2.277 -5.354 1.00 14.44 H new ATOM 0 HG21 VAL A 62 7.427 0.140 -6.623 1.00 10.31 H new ATOM 0 HG22 VAL A 62 6.893 1.833 -6.504 1.00 10.31 H new ATOM 0 HG23 VAL A 62 6.906 1.013 -8.083 1.00 10.31 H new ATOM 952 N GLU A 63 10.845 4.355 -7.591 1.00 22.13 N ATOM 953 CA GLU A 63 12.241 4.787 -7.676 1.00 62.13 C ATOM 954 C GLU A 63 12.704 5.309 -6.319 1.00 5.04 C ATOM 955 O GLU A 63 11.897 5.893 -5.598 1.00 22.54 O ATOM 956 CB GLU A 63 12.440 5.894 -8.723 1.00 72.30 C ATOM 957 CG GLU A 63 12.103 5.422 -10.139 1.00 51.31 C ATOM 958 CD GLU A 63 12.704 6.321 -11.207 1.00 25.53 C ATOM 959 OE1 GLU A 63 12.204 7.451 -11.395 1.00 70.11 O ATOM 960 OE2 GLU A 63 13.650 5.852 -11.886 1.00 74.14 O ATOM 0 H GLU A 63 10.297 4.884 -6.912 1.00 22.13 H new ATOM 0 HA GLU A 63 12.829 3.920 -7.977 1.00 62.13 H new ATOM 0 HB2 GLU A 63 11.813 6.749 -8.469 1.00 72.30 H new ATOM 0 HB3 GLU A 63 13.474 6.237 -8.693 1.00 72.30 H new ATOM 0 HG2 GLU A 63 12.468 4.404 -10.277 1.00 51.31 H new ATOM 0 HG3 GLU A 63 11.020 5.391 -10.261 1.00 51.31 H new ATOM 967 N PRO A 64 13.989 5.154 -5.958 1.00 71.54 N ATOM 968 CA PRO A 64 14.519 5.586 -4.674 1.00 34.54 C ATOM 969 C PRO A 64 14.317 7.085 -4.453 1.00 11.22 C ATOM 970 O PRO A 64 14.146 7.866 -5.396 1.00 34.14 O ATOM 971 CB PRO A 64 15.990 5.160 -4.654 1.00 54.30 C ATOM 972 CG PRO A 64 16.348 4.925 -6.121 1.00 33.35 C ATOM 973 CD PRO A 64 15.022 4.547 -6.771 1.00 31.41 C ATOM 0 HA PRO A 64 13.987 5.121 -3.843 1.00 34.54 H new ATOM 0 HB2 PRO A 64 16.620 5.932 -4.212 1.00 54.30 H new ATOM 0 HB3 PRO A 64 16.132 4.256 -4.062 1.00 54.30 H new ATOM 0 HG2 PRO A 64 16.774 5.819 -6.576 1.00 33.35 H new ATOM 0 HG3 PRO A 64 17.086 4.130 -6.229 1.00 33.35 H new ATOM 0 HD2 PRO A 64 14.974 4.910 -7.798 1.00 31.41 H new ATOM 0 HD3 PRO A 64 14.902 3.464 -6.810 1.00 31.41 H new ATOM 981 N ALA A 65 14.369 7.491 -3.188 1.00 72.52 N ATOM 982 CA ALA A 65 14.228 8.867 -2.739 1.00 31.35 C ATOM 983 C ALA A 65 15.488 9.264 -1.964 1.00 50.32 C ATOM 984 O ALA A 65 15.418 9.893 -0.907 1.00 54.24 O ATOM 985 CB ALA A 65 12.932 8.993 -1.930 1.00 12.42 C ATOM 0 H ALA A 65 14.517 6.840 -2.417 1.00 72.52 H new ATOM 0 HA ALA A 65 14.143 9.563 -3.573 1.00 31.35 H new ATOM 0 HB1 ALA A 65 12.815 10.021 -1.588 1.00 12.42 H new ATOM 0 HB2 ALA A 65 12.083 8.721 -2.558 1.00 12.42 H new ATOM 0 HB3 ALA A 65 12.975 8.326 -1.069 1.00 12.42 H new ATOM 991 N GLY A 66 16.647 8.826 -2.457 1.00 34.22 N ATOM 992 CA GLY A 66 17.950 8.982 -1.851 1.00 63.23 C ATOM 993 C GLY A 66 18.501 7.599 -1.538 1.00 23.21 C ATOM 994 O GLY A 66 18.539 6.729 -2.409 1.00 22.42 O ATOM 0 H GLY A 66 16.693 8.324 -3.344 1.00 34.22 H new ATOM 0 HA2 GLY A 66 18.621 9.514 -2.525 1.00 63.23 H new ATOM 0 HA3 GLY A 66 17.876 9.576 -0.940 1.00 63.23 H new ATOM 998 N GLN A 67 18.965 7.418 -0.303 1.00 64.54 N ATOM 999 CA GLN A 67 19.807 6.296 0.117 1.00 10.22 C ATOM 1000 C GLN A 67 19.269 5.657 1.411 1.00 41.03 C ATOM 1001 O GLN A 67 19.895 4.761 1.975 1.00 64.10 O ATOM 1002 CB GLN A 67 21.265 6.792 0.254 1.00 32.12 C ATOM 1003 CG GLN A 67 21.779 7.451 -1.041 1.00 24.51 C ATOM 1004 CD GLN A 67 23.201 7.997 -0.944 1.00 64.52 C ATOM 1005 OE1 GLN A 67 24.177 7.256 -0.824 1.00 74.13 O ATOM 1006 NE2 GLN A 67 23.363 9.300 -1.075 1.00 42.12 N ATOM 0 H GLN A 67 18.760 8.067 0.457 1.00 64.54 H new ATOM 0 HA GLN A 67 19.785 5.508 -0.636 1.00 10.22 H new ATOM 0 HB2 GLN A 67 21.328 7.508 1.074 1.00 32.12 H new ATOM 0 HB3 GLN A 67 21.910 5.952 0.513 1.00 32.12 H new ATOM 0 HG2 GLN A 67 21.737 6.720 -1.849 1.00 24.51 H new ATOM 0 HG3 GLN A 67 21.107 8.265 -1.312 1.00 24.51 H new ATOM 0 HE21 GLN A 67 22.550 9.908 -1.174 1.00 42.12 H new ATOM 0 HE22 GLN A 67 24.301 9.700 -1.077 1.00 42.12 H new ATOM 1015 N TYR A 68 18.118 6.131 1.895 1.00 24.51 N ATOM 1016 CA TYR A 68 17.463 5.720 3.137 1.00 71.34 C ATOM 1017 C TYR A 68 15.941 5.696 2.971 1.00 11.02 C ATOM 1018 O TYR A 68 15.224 5.435 3.939 1.00 11.41 O ATOM 1019 CB TYR A 68 17.888 6.621 4.318 1.00 72.52 C ATOM 1020 CG TYR A 68 18.039 8.099 4.008 1.00 33.43 C ATOM 1021 CD1 TYR A 68 19.151 8.534 3.265 1.00 72.21 C ATOM 1022 CD2 TYR A 68 17.071 9.031 4.430 1.00 64.40 C ATOM 1023 CE1 TYR A 68 19.242 9.861 2.833 1.00 51.04 C ATOM 1024 CE2 TYR A 68 17.206 10.389 4.087 1.00 41.34 C ATOM 1025 CZ TYR A 68 18.276 10.800 3.259 1.00 50.43 C ATOM 1026 OH TYR A 68 18.369 12.089 2.833 1.00 14.03 O ATOM 0 H TYR A 68 17.590 6.852 1.403 1.00 24.51 H new ATOM 0 HA TYR A 68 17.787 4.705 3.368 1.00 71.34 H new ATOM 0 HB2 TYR A 68 17.153 6.511 5.116 1.00 72.52 H new ATOM 0 HB3 TYR A 68 18.838 6.253 4.706 1.00 72.52 H new ATOM 0 HD1 TYR A 68 19.941 7.838 3.026 1.00 72.21 H new ATOM 0 HD2 TYR A 68 16.225 8.703 5.017 1.00 64.40 H new ATOM 0 HE1 TYR A 68 20.045 10.166 2.178 1.00 51.04 H new ATOM 0 HE2 TYR A 68 16.495 11.114 4.455 1.00 41.34 H new ATOM 0 HH TYR A 68 17.632 12.612 3.211 1.00 14.03 H new ATOM 1036 N ALA A 69 15.429 5.999 1.774 1.00 71.41 N ATOM 1037 CA ALA A 69 14.012 6.077 1.512 1.00 32.13 C ATOM 1038 C ALA A 69 13.700 5.733 0.071 1.00 31.15 C ATOM 1039 O ALA A 69 14.537 5.894 -0.821 1.00 31.55 O ATOM 1040 CB ALA A 69 13.512 7.491 1.840 1.00 52.02 C ATOM 0 H ALA A 69 16.006 6.198 0.957 1.00 71.41 H new ATOM 0 HA ALA A 69 13.501 5.351 2.144 1.00 32.13 H new ATOM 0 HB1 ALA A 69 12.442 7.553 1.643 1.00 52.02 H new ATOM 0 HB2 ALA A 69 13.701 7.709 2.891 1.00 52.02 H new ATOM 0 HB3 ALA A 69 14.038 8.216 1.219 1.00 52.02 H new ATOM 1046 N LEU A 70 12.442 5.359 -0.141 1.00 31.12 N ATOM 1047 CA LEU A 70 11.869 5.039 -1.432 1.00 74.42 C ATOM 1048 C LEU A 70 10.755 6.034 -1.765 1.00 64.22 C ATOM 1049 O LEU A 70 10.217 6.691 -0.867 1.00 72.30 O ATOM 1050 CB LEU A 70 11.319 3.604 -1.357 1.00 43.32 C ATOM 1051 CG LEU A 70 10.888 2.968 -2.692 1.00 31.42 C ATOM 1052 CD1 LEU A 70 11.993 3.115 -3.730 1.00 30.52 C ATOM 1053 CD2 LEU A 70 10.601 1.475 -2.564 1.00 33.54 C ATOM 0 H LEU A 70 11.769 5.269 0.620 1.00 31.12 H new ATOM 0 HA LEU A 70 12.620 5.106 -2.219 1.00 74.42 H new ATOM 0 HB2 LEU A 70 12.081 2.969 -0.906 1.00 43.32 H new ATOM 0 HB3 LEU A 70 10.462 3.601 -0.684 1.00 43.32 H new ATOM 0 HG LEU A 70 9.979 3.490 -2.991 1.00 31.42 H new ATOM 0 HD11 LEU A 70 11.674 2.661 -4.668 1.00 30.52 H new ATOM 0 HD12 LEU A 70 12.202 4.172 -3.892 1.00 30.52 H new ATOM 0 HD13 LEU A 70 12.895 2.617 -3.374 1.00 30.52 H new ATOM 0 HD21 LEU A 70 10.302 1.078 -3.534 1.00 33.54 H new ATOM 0 HD22 LEU A 70 11.499 0.960 -2.222 1.00 33.54 H new ATOM 0 HD23 LEU A 70 9.797 1.319 -1.844 1.00 33.54 H new ATOM 1065 N LYS A 71 10.388 6.085 -3.044 1.00 30.52 N ATOM 1066 CA LYS A 71 9.231 6.746 -3.618 1.00 41.14 C ATOM 1067 C LYS A 71 8.447 5.639 -4.327 1.00 13.01 C ATOM 1068 O LYS A 71 9.052 4.836 -5.043 1.00 4.24 O ATOM 1069 CB LYS A 71 9.739 7.776 -4.643 1.00 70.31 C ATOM 1070 CG LYS A 71 8.929 9.068 -4.749 1.00 51.03 C ATOM 1071 CD LYS A 71 9.424 10.134 -3.758 1.00 43.33 C ATOM 1072 CE LYS A 71 9.475 11.522 -4.411 1.00 12.12 C ATOM 1073 NZ LYS A 71 10.645 11.672 -5.303 1.00 12.35 N ATOM 0 H LYS A 71 10.945 5.623 -3.763 1.00 30.52 H new ATOM 0 HA LYS A 71 8.613 7.258 -2.881 1.00 41.14 H new ATOM 0 HB2 LYS A 71 10.767 8.034 -4.390 1.00 70.31 H new ATOM 0 HB3 LYS A 71 9.761 7.302 -5.624 1.00 70.31 H new ATOM 0 HG2 LYS A 71 8.996 9.457 -5.765 1.00 51.03 H new ATOM 0 HG3 LYS A 71 7.877 8.855 -4.558 1.00 51.03 H new ATOM 0 HD2 LYS A 71 8.764 10.162 -2.891 1.00 43.33 H new ATOM 0 HD3 LYS A 71 10.416 9.864 -3.395 1.00 43.33 H new ATOM 0 HE2 LYS A 71 8.561 11.688 -4.981 1.00 12.12 H new ATOM 0 HE3 LYS A 71 9.510 12.287 -3.635 1.00 12.12 H new ATOM 0 HZ1 LYS A 71 10.641 12.623 -5.723 1.00 12.35 H new ATOM 0 HZ2 LYS A 71 11.519 11.539 -4.755 1.00 12.35 H new ATOM 0 HZ3 LYS A 71 10.599 10.959 -6.059 1.00 12.35 H new ATOM 1087 N LEU A 72 7.135 5.557 -4.120 1.00 25.42 N ATOM 1088 CA LEU A 72 6.245 4.677 -4.872 1.00 12.04 C ATOM 1089 C LEU A 72 5.283 5.570 -5.648 1.00 2.11 C ATOM 1090 O LEU A 72 4.898 6.631 -5.152 1.00 41.44 O ATOM 1091 CB LEU A 72 5.514 3.686 -3.935 1.00 42.10 C ATOM 1092 CG LEU A 72 6.418 2.502 -3.534 1.00 24.51 C ATOM 1093 CD1 LEU A 72 6.644 2.439 -2.028 1.00 61.21 C ATOM 1094 CD2 LEU A 72 5.848 1.156 -4.009 1.00 4.35 C ATOM 0 H LEU A 72 6.652 6.110 -3.412 1.00 25.42 H new ATOM 0 HA LEU A 72 6.807 4.054 -5.568 1.00 12.04 H new ATOM 0 HB2 LEU A 72 5.183 4.210 -3.038 1.00 42.10 H new ATOM 0 HB3 LEU A 72 4.620 3.309 -4.432 1.00 42.10 H new ATOM 0 HG LEU A 72 7.373 2.679 -4.029 1.00 24.51 H new ATOM 0 HD11 LEU A 72 7.286 1.590 -1.792 1.00 61.21 H new ATOM 0 HD12 LEU A 72 7.122 3.360 -1.693 1.00 61.21 H new ATOM 0 HD13 LEU A 72 5.686 2.322 -1.521 1.00 61.21 H new ATOM 0 HD21 LEU A 72 6.516 0.350 -3.705 1.00 4.35 H new ATOM 0 HD22 LEU A 72 4.865 1.000 -3.564 1.00 4.35 H new ATOM 0 HD23 LEU A 72 5.758 1.162 -5.095 1.00 4.35 H new ATOM 1106 N SER A 73 4.933 5.179 -6.872 1.00 22.42 N ATOM 1107 CA SER A 73 3.858 5.763 -7.666 1.00 52.23 C ATOM 1108 C SER A 73 2.709 4.753 -7.695 1.00 32.34 C ATOM 1109 O SER A 73 2.916 3.570 -7.419 1.00 53.50 O ATOM 1110 CB SER A 73 4.374 6.080 -9.080 1.00 72.14 C ATOM 1111 OG SER A 73 5.474 6.976 -9.040 1.00 4.14 O ATOM 0 H SER A 73 5.410 4.417 -7.355 1.00 22.42 H new ATOM 0 HA SER A 73 3.505 6.700 -7.234 1.00 52.23 H new ATOM 0 HB2 SER A 73 4.673 5.156 -9.576 1.00 72.14 H new ATOM 0 HB3 SER A 73 3.570 6.515 -9.674 1.00 72.14 H new ATOM 0 HG SER A 73 5.781 7.158 -9.953 1.00 4.14 H new ATOM 1117 N PHE A 74 1.497 5.180 -8.022 1.00 23.15 N ATOM 1118 CA PHE A 74 0.296 4.362 -7.966 1.00 25.12 C ATOM 1119 C PHE A 74 -0.647 5.000 -8.977 1.00 32.15 C ATOM 1120 O PHE A 74 -0.891 6.202 -8.892 1.00 53.20 O ATOM 1121 CB PHE A 74 -0.322 4.364 -6.543 1.00 63.20 C ATOM 1122 CG PHE A 74 0.630 4.661 -5.388 1.00 72.13 C ATOM 1123 CD1 PHE A 74 0.976 6.002 -5.133 1.00 61.01 C ATOM 1124 CD2 PHE A 74 1.224 3.634 -4.622 1.00 31.15 C ATOM 1125 CE1 PHE A 74 1.932 6.317 -4.155 1.00 33.22 C ATOM 1126 CE2 PHE A 74 2.113 3.960 -3.582 1.00 3.21 C ATOM 1127 CZ PHE A 74 2.482 5.298 -3.359 1.00 13.33 C ATOM 0 H PHE A 74 1.319 6.132 -8.342 1.00 23.15 H new ATOM 0 HA PHE A 74 0.500 3.316 -8.195 1.00 25.12 H new ATOM 0 HB2 PHE A 74 -1.125 5.100 -6.521 1.00 63.20 H new ATOM 0 HB3 PHE A 74 -0.778 3.390 -6.368 1.00 63.20 H new ATOM 0 HD1 PHE A 74 0.502 6.794 -5.694 1.00 61.01 H new ATOM 0 HD2 PHE A 74 0.996 2.600 -4.834 1.00 31.15 H new ATOM 0 HE1 PHE A 74 2.245 7.341 -4.014 1.00 33.22 H new ATOM 0 HE2 PHE A 74 2.514 3.179 -2.952 1.00 3.21 H new ATOM 0 HZ PHE A 74 3.187 5.542 -2.578 1.00 13.33 H new ATOM 1137 N ASP A 75 -1.191 4.233 -9.924 1.00 62.31 N ATOM 1138 CA ASP A 75 -2.070 4.769 -10.974 1.00 70.02 C ATOM 1139 C ASP A 75 -3.350 5.401 -10.416 1.00 10.54 C ATOM 1140 O ASP A 75 -4.060 6.112 -11.129 1.00 64.34 O ATOM 1141 CB ASP A 75 -2.379 3.709 -12.049 1.00 44.30 C ATOM 1142 CG ASP A 75 -3.543 2.746 -11.778 1.00 34.22 C ATOM 1143 OD1 ASP A 75 -4.026 2.590 -10.638 1.00 31.11 O ATOM 1144 OD2 ASP A 75 -3.926 2.042 -12.748 1.00 43.32 O ATOM 0 H ASP A 75 -1.038 3.227 -9.988 1.00 62.31 H new ATOM 0 HA ASP A 75 -1.517 5.577 -11.454 1.00 70.02 H new ATOM 0 HB2 ASP A 75 -2.583 4.228 -12.985 1.00 44.30 H new ATOM 0 HB3 ASP A 75 -1.479 3.114 -12.204 1.00 44.30 H new ATOM 1149 N ASP A 76 -3.608 5.177 -9.128 1.00 44.31 N ATOM 1150 CA ASP A 76 -4.682 5.723 -8.322 1.00 31.22 C ATOM 1151 C ASP A 76 -4.684 7.247 -8.227 1.00 74.21 C ATOM 1152 O ASP A 76 -5.724 7.834 -7.920 1.00 34.44 O ATOM 1153 CB ASP A 76 -4.516 5.188 -6.901 1.00 32.32 C ATOM 1154 CG ASP A 76 -5.798 5.368 -6.102 1.00 30.05 C ATOM 1155 OD1 ASP A 76 -6.901 5.092 -6.621 1.00 10.21 O ATOM 1156 OD2 ASP A 76 -5.719 5.792 -4.931 1.00 43.52 O ATOM 0 H ASP A 76 -3.015 4.553 -8.581 1.00 44.31 H new ATOM 0 HA ASP A 76 -5.614 5.425 -8.802 1.00 31.22 H new ATOM 0 HB2 ASP A 76 -4.248 4.132 -6.934 1.00 32.32 H new ATOM 0 HB3 ASP A 76 -3.697 5.709 -6.405 1.00 32.32 H new ATOM 1161 N GLY A 77 -3.535 7.884 -8.450 1.00 12.42 N ATOM 1162 CA GLY A 77 -3.378 9.325 -8.381 1.00 22.23 C ATOM 1163 C GLY A 77 -2.587 9.768 -7.160 1.00 45.21 C ATOM 1164 O GLY A 77 -2.163 8.950 -6.339 1.00 22.31 O ATOM 0 H GLY A 77 -2.672 7.396 -8.689 1.00 12.42 H new ATOM 0 HA2 GLY A 77 -2.875 9.676 -9.282 1.00 22.23 H new ATOM 0 HA3 GLY A 77 -4.362 9.794 -8.362 1.00 22.23 H new ATOM 1168 N HIS A 78 -2.385 11.084 -7.057 1.00 41.54 N ATOM 1169 CA HIS A 78 -1.531 11.831 -6.138 1.00 52.12 C ATOM 1170 C HIS A 78 -0.046 11.589 -6.379 1.00 13.45 C ATOM 1171 O HIS A 78 0.728 12.545 -6.431 1.00 51.33 O ATOM 1172 CB HIS A 78 -1.950 11.576 -4.687 1.00 14.31 C ATOM 1173 CG HIS A 78 -1.471 12.588 -3.675 1.00 5.13 C ATOM 1174 ND1 HIS A 78 -0.641 12.357 -2.596 1.00 5.44 N ATOM 1175 CD2 HIS A 78 -1.929 13.874 -3.572 1.00 65.03 C ATOM 1176 CE1 HIS A 78 -0.625 13.477 -1.853 1.00 62.00 C ATOM 1177 NE2 HIS A 78 -1.383 14.436 -2.412 1.00 24.44 N ATOM 0 H HIS A 78 -2.872 11.720 -7.688 1.00 41.54 H new ATOM 0 HA HIS A 78 -1.678 12.892 -6.341 1.00 52.12 H new ATOM 0 HB2 HIS A 78 -3.038 11.536 -4.645 1.00 14.31 H new ATOM 0 HB3 HIS A 78 -1.584 10.593 -4.391 1.00 14.31 H new ATOM 0 HD2 HIS A 78 -2.595 14.368 -4.264 1.00 65.03 H new ATOM 0 HE1 HIS A 78 -0.076 13.591 -0.930 1.00 62.00 H new ATOM 0 HE2 HIS A 78 -1.531 15.382 -2.062 1.00 24.44 H new ATOM 1185 N ASP A 79 0.314 10.322 -6.559 1.00 50.14 N ATOM 1186 CA ASP A 79 1.665 9.752 -6.564 1.00 34.41 C ATOM 1187 C ASP A 79 2.460 10.234 -5.344 1.00 70.24 C ATOM 1188 O ASP A 79 1.886 10.835 -4.432 1.00 52.41 O ATOM 1189 CB ASP A 79 2.372 10.006 -7.908 1.00 21.02 C ATOM 1190 CG ASP A 79 2.008 9.028 -9.019 1.00 51.31 C ATOM 1191 OD1 ASP A 79 1.675 7.865 -8.722 1.00 2.35 O ATOM 1192 OD2 ASP A 79 2.142 9.414 -10.205 1.00 31.21 O ATOM 0 H ASP A 79 -0.391 9.602 -6.719 1.00 50.14 H new ATOM 0 HA ASP A 79 1.595 8.668 -6.471 1.00 34.41 H new ATOM 0 HB2 ASP A 79 2.135 11.016 -8.241 1.00 21.02 H new ATOM 0 HB3 ASP A 79 3.450 9.967 -7.748 1.00 21.02 H new ATOM 1197 N SER A 80 3.752 9.908 -5.261 1.00 44.32 N ATOM 1198 CA SER A 80 4.641 10.407 -4.221 1.00 14.44 C ATOM 1199 C SER A 80 4.081 10.160 -2.813 1.00 41.53 C ATOM 1200 O SER A 80 3.500 9.095 -2.563 1.00 41.10 O ATOM 1201 CB SER A 80 5.114 11.817 -4.601 1.00 30.23 C ATOM 1202 OG SER A 80 5.745 11.767 -5.873 1.00 65.30 O ATOM 0 H SER A 80 4.211 9.283 -5.924 1.00 44.32 H new ATOM 0 HA SER A 80 5.565 9.832 -4.159 1.00 14.44 H new ATOM 0 HB2 SER A 80 4.268 12.503 -4.627 1.00 30.23 H new ATOM 0 HB3 SER A 80 5.808 12.196 -3.851 1.00 30.23 H new ATOM 0 HG SER A 80 6.048 12.665 -6.123 1.00 65.30 H new ATOM 1208 N GLY A 81 4.461 10.974 -1.834 1.00 25.45 N ATOM 1209 CA GLY A 81 4.709 10.477 -0.489 1.00 13.43 C ATOM 1210 C GLY A 81 6.165 10.025 -0.379 1.00 74.51 C ATOM 1211 O GLY A 81 6.861 9.937 -1.395 1.00 4.34 O ATOM 0 H GLY A 81 4.603 11.978 -1.948 1.00 25.45 H new ATOM 0 HA2 GLY A 81 4.502 11.257 0.243 1.00 13.43 H new ATOM 0 HA3 GLY A 81 4.040 9.646 -0.267 1.00 13.43 H new ATOM 1215 N LEU A 82 6.634 9.716 0.825 1.00 33.52 N ATOM 1216 CA LEU A 82 7.969 9.199 1.128 1.00 54.41 C ATOM 1217 C LEU A 82 7.785 7.941 1.961 1.00 41.41 C ATOM 1218 O LEU A 82 6.834 7.887 2.736 1.00 33.25 O ATOM 1219 CB LEU A 82 8.734 10.242 1.962 1.00 74.52 C ATOM 1220 CG LEU A 82 10.236 9.947 2.142 1.00 2.14 C ATOM 1221 CD1 LEU A 82 11.008 10.122 0.829 1.00 12.31 C ATOM 1222 CD2 LEU A 82 10.816 10.882 3.208 1.00 5.04 C ATOM 0 H LEU A 82 6.064 9.825 1.664 1.00 33.52 H new ATOM 0 HA LEU A 82 8.524 8.988 0.214 1.00 54.41 H new ATOM 0 HB2 LEU A 82 8.623 11.218 1.489 1.00 74.52 H new ATOM 0 HB3 LEU A 82 8.271 10.311 2.946 1.00 74.52 H new ATOM 0 HG LEU A 82 10.341 8.909 2.456 1.00 2.14 H new ATOM 0 HD11 LEU A 82 12.063 9.905 0.996 1.00 12.31 H new ATOM 0 HD12 LEU A 82 10.611 9.437 0.079 1.00 12.31 H new ATOM 0 HD13 LEU A 82 10.899 11.148 0.477 1.00 12.31 H new ATOM 0 HD21 LEU A 82 11.878 10.674 3.336 1.00 5.04 H new ATOM 0 HD22 LEU A 82 10.684 11.918 2.894 1.00 5.04 H new ATOM 0 HD23 LEU A 82 10.299 10.721 4.154 1.00 5.04 H new ATOM 1234 N PHE A 83 8.690 6.967 1.853 1.00 33.21 N ATOM 1235 CA PHE A 83 8.487 5.683 2.519 1.00 53.31 C ATOM 1236 C PHE A 83 9.598 5.268 3.484 1.00 11.33 C ATOM 1237 O PHE A 83 9.396 4.300 4.217 1.00 22.52 O ATOM 1238 CB PHE A 83 8.218 4.611 1.453 1.00 43.24 C ATOM 1239 CG PHE A 83 6.794 4.097 1.488 1.00 5.13 C ATOM 1240 CD1 PHE A 83 6.401 3.175 2.475 1.00 71.30 C ATOM 1241 CD2 PHE A 83 5.837 4.580 0.583 1.00 14.41 C ATOM 1242 CE1 PHE A 83 5.095 2.661 2.508 1.00 14.01 C ATOM 1243 CE2 PHE A 83 4.508 4.149 0.717 1.00 30.34 C ATOM 1244 CZ PHE A 83 4.132 3.165 1.626 1.00 61.12 C ATOM 0 H PHE A 83 9.556 7.041 1.320 1.00 33.21 H new ATOM 0 HA PHE A 83 7.620 5.797 3.170 1.00 53.31 H new ATOM 0 HB2 PHE A 83 8.426 5.025 0.466 1.00 43.24 H new ATOM 0 HB3 PHE A 83 8.905 3.777 1.600 1.00 43.24 H new ATOM 0 HD1 PHE A 83 7.116 2.857 3.220 1.00 71.30 H new ATOM 0 HD2 PHE A 83 6.117 5.269 -0.200 1.00 14.41 H new ATOM 0 HE1 PHE A 83 4.835 1.882 3.209 1.00 14.01 H new ATOM 0 HE2 PHE A 83 3.750 4.597 0.092 1.00 30.34 H new ATOM 0 HZ PHE A 83 3.117 2.797 1.651 1.00 61.12 H new ATOM 1254 N THR A 84 10.751 5.950 3.508 1.00 70.12 N ATOM 1255 CA THR A 84 11.933 5.481 4.251 1.00 53.03 C ATOM 1256 C THR A 84 12.206 3.996 3.885 1.00 22.44 C ATOM 1257 O THR A 84 11.763 3.550 2.822 1.00 32.12 O ATOM 1258 CB THR A 84 11.803 5.891 5.734 1.00 21.45 C ATOM 1259 OG1 THR A 84 11.453 7.266 5.739 1.00 25.35 O ATOM 1260 CG2 THR A 84 13.107 5.782 6.545 1.00 53.10 C ATOM 0 H THR A 84 10.892 6.834 3.019 1.00 70.12 H new ATOM 0 HA THR A 84 12.864 5.968 3.962 1.00 53.03 H new ATOM 0 HB THR A 84 11.076 5.219 6.191 1.00 21.45 H new ATOM 0 HG1 THR A 84 11.356 7.576 6.664 1.00 25.35 H new ATOM 0 HG21 THR A 84 12.922 6.090 7.574 1.00 53.10 H new ATOM 0 HG22 THR A 84 13.458 4.750 6.532 1.00 53.10 H new ATOM 0 HG23 THR A 84 13.865 6.429 6.104 1.00 53.10 H new ATOM 1268 N TRP A 85 13.014 3.246 4.640 1.00 61.31 N ATOM 1269 CA TRP A 85 13.125 1.796 4.473 1.00 52.13 C ATOM 1270 C TRP A 85 12.490 1.007 5.622 1.00 10.13 C ATOM 1271 O TRP A 85 11.987 -0.093 5.391 1.00 33.45 O ATOM 1272 CB TRP A 85 14.600 1.425 4.307 1.00 64.20 C ATOM 1273 CG TRP A 85 15.278 1.883 3.049 1.00 42.13 C ATOM 1274 CD1 TRP A 85 16.504 2.443 2.986 1.00 54.33 C ATOM 1275 CD2 TRP A 85 14.862 1.709 1.661 1.00 22.34 C ATOM 1276 NE1 TRP A 85 16.857 2.662 1.662 1.00 71.52 N ATOM 1277 CE2 TRP A 85 15.882 2.213 0.800 1.00 62.50 C ATOM 1278 CE3 TRP A 85 13.745 1.122 1.041 1.00 42.33 C ATOM 1279 CZ2 TRP A 85 15.797 2.135 -0.601 1.00 41.04 C ATOM 1280 CZ3 TRP A 85 13.682 0.998 -0.353 1.00 43.14 C ATOM 1281 CH2 TRP A 85 14.699 1.484 -1.183 1.00 54.03 C ATOM 0 H TRP A 85 13.606 3.625 5.379 1.00 61.31 H new ATOM 0 HA TRP A 85 12.565 1.521 3.579 1.00 52.13 H new ATOM 0 HB2 TRP A 85 15.150 1.832 5.156 1.00 64.20 H new ATOM 0 HB3 TRP A 85 14.685 0.340 4.362 1.00 64.20 H new ATOM 0 HD1 TRP A 85 17.120 2.685 3.840 1.00 54.33 H new ATOM 0 HE1 TRP A 85 17.729 3.100 1.365 1.00 71.52 H new ATOM 0 HE3 TRP A 85 12.926 0.763 1.646 1.00 42.33 H new ATOM 0 HZ2 TRP A 85 16.567 2.570 -1.221 1.00 41.04 H new ATOM 0 HZ3 TRP A 85 12.826 0.514 -0.799 1.00 43.14 H new ATOM 0 HH2 TRP A 85 14.639 1.360 -2.254 1.00 54.03 H new ATOM 1292 N ASP A 86 12.481 1.567 6.837 1.00 2.32 N ATOM 1293 CA ASP A 86 11.928 0.946 8.046 1.00 25.34 C ATOM 1294 C ASP A 86 10.459 0.587 7.831 1.00 50.03 C ATOM 1295 O ASP A 86 10.062 -0.570 7.989 1.00 14.23 O ATOM 1296 CB ASP A 86 12.071 1.901 9.250 1.00 62.34 C ATOM 1297 CG ASP A 86 13.311 1.622 10.099 1.00 2.14 C ATOM 1298 OD1 ASP A 86 13.272 0.701 10.950 1.00 73.43 O ATOM 1299 OD2 ASP A 86 14.308 2.366 9.981 1.00 53.34 O ATOM 0 H ASP A 86 12.870 2.493 7.011 1.00 2.32 H new ATOM 0 HA ASP A 86 12.485 0.033 8.255 1.00 25.34 H new ATOM 0 HB2 ASP A 86 12.111 2.928 8.887 1.00 62.34 H new ATOM 0 HB3 ASP A 86 11.184 1.819 9.877 1.00 62.34 H new ATOM 1304 N TYR A 87 9.663 1.589 7.452 1.00 11.13 N ATOM 1305 CA TYR A 87 8.225 1.485 7.249 1.00 1.12 C ATOM 1306 C TYR A 87 7.903 0.414 6.205 1.00 5.35 C ATOM 1307 O TYR A 87 7.053 -0.440 6.447 1.00 45.12 O ATOM 1308 CB TYR A 87 7.711 2.871 6.835 1.00 14.12 C ATOM 1309 CG TYR A 87 6.215 3.017 6.628 1.00 52.22 C ATOM 1310 CD1 TYR A 87 5.311 2.485 7.562 1.00 31.14 C ATOM 1311 CD2 TYR A 87 5.724 3.737 5.519 1.00 72.51 C ATOM 1312 CE1 TYR A 87 3.936 2.689 7.394 1.00 70.34 C ATOM 1313 CE2 TYR A 87 4.341 3.837 5.261 1.00 25.34 C ATOM 1314 CZ TYR A 87 3.443 3.338 6.239 1.00 71.24 C ATOM 1315 OH TYR A 87 2.100 3.467 6.104 1.00 71.54 O ATOM 0 H TYR A 87 10.020 2.528 7.273 1.00 11.13 H new ATOM 0 HA TYR A 87 7.725 1.175 8.167 1.00 1.12 H new ATOM 0 HB2 TYR A 87 8.019 3.588 7.596 1.00 14.12 H new ATOM 0 HB3 TYR A 87 8.211 3.155 5.909 1.00 14.12 H new ATOM 0 HD1 TYR A 87 5.675 1.920 8.407 1.00 31.14 H new ATOM 0 HD2 TYR A 87 6.422 4.222 4.853 1.00 72.51 H new ATOM 0 HE1 TYR A 87 3.247 2.348 8.152 1.00 70.34 H new ATOM 0 HE2 TYR A 87 3.977 4.280 4.346 1.00 25.34 H new ATOM 0 HH TYR A 87 1.887 3.723 5.182 1.00 71.54 H new ATOM 1325 N LEU A 88 8.606 0.419 5.065 1.00 45.42 N ATOM 1326 CA LEU A 88 8.314 -0.487 3.955 1.00 12.34 C ATOM 1327 C LEU A 88 8.378 -1.941 4.382 1.00 41.11 C ATOM 1328 O LEU A 88 7.437 -2.698 4.134 1.00 31.30 O ATOM 1329 CB LEU A 88 9.260 -0.275 2.764 1.00 1.15 C ATOM 1330 CG LEU A 88 8.811 0.898 1.896 1.00 51.23 C ATOM 1331 CD1 LEU A 88 9.905 1.271 0.918 1.00 72.44 C ATOM 1332 CD2 LEU A 88 7.523 0.622 1.095 1.00 14.32 C ATOM 0 H LEU A 88 9.389 1.049 4.890 1.00 45.42 H new ATOM 0 HA LEU A 88 7.298 -0.249 3.641 1.00 12.34 H new ATOM 0 HB2 LEU A 88 10.271 -0.093 3.129 1.00 1.15 H new ATOM 0 HB3 LEU A 88 9.297 -1.182 2.161 1.00 1.15 H new ATOM 0 HG LEU A 88 8.601 1.712 2.589 1.00 51.23 H new ATOM 0 HD11 LEU A 88 9.574 2.109 0.304 1.00 72.44 H new ATOM 0 HD12 LEU A 88 10.802 1.556 1.467 1.00 72.44 H new ATOM 0 HD13 LEU A 88 10.127 0.417 0.278 1.00 72.44 H new ATOM 0 HD21 LEU A 88 7.267 1.501 0.503 1.00 14.32 H new ATOM 0 HD22 LEU A 88 7.682 -0.228 0.432 1.00 14.32 H new ATOM 0 HD23 LEU A 88 6.708 0.398 1.783 1.00 14.32 H new ATOM 1344 N TYR A 89 9.497 -2.344 4.976 1.00 61.33 N ATOM 1345 CA TYR A 89 9.691 -3.725 5.360 1.00 4.12 C ATOM 1346 C TYR A 89 8.843 -4.106 6.558 1.00 42.04 C ATOM 1347 O TYR A 89 8.522 -5.285 6.669 1.00 3.14 O ATOM 1348 CB TYR A 89 11.173 -3.966 5.598 1.00 72.32 C ATOM 1349 CG TYR A 89 11.876 -4.455 4.340 1.00 41.01 C ATOM 1350 CD1 TYR A 89 11.457 -5.622 3.665 1.00 64.21 C ATOM 1351 CD2 TYR A 89 12.960 -3.728 3.825 1.00 74.32 C ATOM 1352 CE1 TYR A 89 12.187 -6.094 2.571 1.00 60.44 C ATOM 1353 CE2 TYR A 89 13.727 -4.236 2.759 1.00 3.32 C ATOM 1354 CZ TYR A 89 13.367 -5.458 2.161 1.00 14.30 C ATOM 1355 OH TYR A 89 14.168 -6.051 1.242 1.00 22.23 O ATOM 0 H TYR A 89 10.279 -1.729 5.199 1.00 61.33 H new ATOM 0 HA TYR A 89 9.356 -4.373 4.550 1.00 4.12 H new ATOM 0 HB2 TYR A 89 11.641 -3.043 5.940 1.00 72.32 H new ATOM 0 HB3 TYR A 89 11.299 -4.701 6.393 1.00 72.32 H new ATOM 0 HD1 TYR A 89 10.574 -6.149 3.994 1.00 64.21 H new ATOM 0 HD2 TYR A 89 13.209 -2.767 4.251 1.00 74.32 H new ATOM 0 HE1 TYR A 89 11.837 -6.962 2.033 1.00 60.44 H new ATOM 0 HE2 TYR A 89 14.588 -3.690 2.402 1.00 3.32 H new ATOM 0 HH TYR A 89 14.006 -7.018 1.242 1.00 22.23 H new ATOM 1365 N GLU A 90 8.437 -3.158 7.406 1.00 1.41 N ATOM 1366 CA GLU A 90 7.482 -3.478 8.451 1.00 32.50 C ATOM 1367 C GLU A 90 6.126 -3.791 7.812 1.00 71.12 C ATOM 1368 O GLU A 90 5.596 -4.872 8.047 1.00 20.20 O ATOM 1369 CB GLU A 90 7.375 -2.367 9.505 1.00 71.52 C ATOM 1370 CG GLU A 90 6.958 -2.984 10.856 1.00 34.51 C ATOM 1371 CD GLU A 90 6.007 -2.109 11.679 1.00 54.02 C ATOM 1372 OE1 GLU A 90 4.811 -2.030 11.343 1.00 65.34 O ATOM 1373 OE2 GLU A 90 6.437 -1.591 12.738 1.00 32.50 O ATOM 0 H GLU A 90 8.750 -2.187 7.386 1.00 1.41 H new ATOM 0 HA GLU A 90 7.836 -4.358 8.987 1.00 32.50 H new ATOM 0 HB2 GLU A 90 8.331 -1.853 9.607 1.00 71.52 H new ATOM 0 HB3 GLU A 90 6.644 -1.622 9.191 1.00 71.52 H new ATOM 0 HG2 GLU A 90 6.480 -3.946 10.671 1.00 34.51 H new ATOM 0 HG3 GLU A 90 7.854 -3.181 11.445 1.00 34.51 H new ATOM 1380 N LEU A 91 5.599 -2.918 6.939 1.00 44.03 N ATOM 1381 CA LEU A 91 4.340 -3.175 6.234 1.00 71.34 C ATOM 1382 C LEU A 91 4.393 -4.514 5.488 1.00 41.02 C ATOM 1383 O LEU A 91 3.394 -5.224 5.462 1.00 20.40 O ATOM 1384 CB LEU A 91 3.994 -2.085 5.204 1.00 3.30 C ATOM 1385 CG LEU A 91 3.661 -0.647 5.646 1.00 22.53 C ATOM 1386 CD1 LEU A 91 3.134 0.091 4.406 1.00 23.25 C ATOM 1387 CD2 LEU A 91 2.587 -0.556 6.728 1.00 65.53 C ATOM 0 H LEU A 91 6.031 -2.024 6.706 1.00 44.03 H new ATOM 0 HA LEU A 91 3.573 -3.187 7.008 1.00 71.34 H new ATOM 0 HB2 LEU A 91 4.836 -2.019 4.515 1.00 3.30 H new ATOM 0 HB3 LEU A 91 3.141 -2.448 4.631 1.00 3.30 H new ATOM 0 HG LEU A 91 4.569 -0.217 6.068 1.00 22.53 H new ATOM 0 HD11 LEU A 91 2.884 1.118 4.673 1.00 23.25 H new ATOM 0 HD12 LEU A 91 3.900 0.093 3.631 1.00 23.25 H new ATOM 0 HD13 LEU A 91 2.243 -0.414 4.033 1.00 23.25 H new ATOM 0 HD21 LEU A 91 2.413 0.490 6.981 1.00 65.53 H new ATOM 0 HD22 LEU A 91 1.662 -0.999 6.360 1.00 65.53 H new ATOM 0 HD23 LEU A 91 2.919 -1.094 7.616 1.00 65.53 H new ATOM 1399 N ALA A 92 5.542 -4.865 4.894 1.00 32.14 N ATOM 1400 CA ALA A 92 5.752 -6.128 4.192 1.00 74.41 C ATOM 1401 C ALA A 92 5.389 -7.312 5.097 1.00 23.52 C ATOM 1402 O ALA A 92 4.545 -8.119 4.717 1.00 13.32 O ATOM 1403 CB ALA A 92 7.197 -6.212 3.676 1.00 73.43 C ATOM 0 H ALA A 92 6.365 -4.263 4.891 1.00 32.14 H new ATOM 0 HA ALA A 92 5.092 -6.173 3.326 1.00 74.41 H new ATOM 0 HB1 ALA A 92 7.343 -7.158 3.154 1.00 73.43 H new ATOM 0 HB2 ALA A 92 7.387 -5.386 2.990 1.00 73.43 H new ATOM 0 HB3 ALA A 92 7.888 -6.152 4.517 1.00 73.43 H new ATOM 1409 N THR A 93 6.004 -7.419 6.282 1.00 32.50 N ATOM 1410 CA THR A 93 5.699 -8.503 7.215 1.00 34.23 C ATOM 1411 C THR A 93 4.287 -8.341 7.793 1.00 41.43 C ATOM 1412 O THR A 93 3.543 -9.318 7.906 1.00 51.25 O ATOM 1413 CB THR A 93 6.804 -8.642 8.284 1.00 11.14 C ATOM 1414 OG1 THR A 93 6.493 -9.642 9.223 1.00 35.34 O ATOM 1415 CG2 THR A 93 7.118 -7.377 9.064 1.00 3.11 C ATOM 0 H THR A 93 6.715 -6.767 6.614 1.00 32.50 H new ATOM 0 HA THR A 93 5.694 -9.450 6.675 1.00 34.23 H new ATOM 0 HB THR A 93 7.685 -8.898 7.695 1.00 11.14 H new ATOM 0 HG1 THR A 93 7.213 -9.705 9.884 1.00 35.34 H new ATOM 0 HG21 THR A 93 7.906 -7.582 9.788 1.00 3.11 H new ATOM 0 HG22 THR A 93 7.450 -6.599 8.377 1.00 3.11 H new ATOM 0 HG23 THR A 93 6.223 -7.041 9.588 1.00 3.11 H new ATOM 1423 N ARG A 94 3.886 -7.117 8.145 1.00 4.02 N ATOM 1424 CA ARG A 94 2.649 -6.853 8.866 1.00 4.30 C ATOM 1425 C ARG A 94 1.421 -6.992 7.975 1.00 1.43 C ATOM 1426 O ARG A 94 0.310 -6.949 8.503 1.00 3.24 O ATOM 1427 CB ARG A 94 2.717 -5.458 9.497 1.00 15.44 C ATOM 1428 CG ARG A 94 3.729 -5.341 10.644 1.00 15.34 C ATOM 1429 CD ARG A 94 3.075 -5.016 11.992 1.00 0.14 C ATOM 1430 NE ARG A 94 2.311 -6.145 12.550 1.00 73.23 N ATOM 1431 CZ ARG A 94 1.674 -6.135 13.726 1.00 60.42 C ATOM 1432 NH1 ARG A 94 1.652 -5.041 14.471 1.00 0.24 N ATOM 1433 NH2 ARG A 94 1.068 -7.226 14.171 1.00 54.23 N ATOM 0 H ARG A 94 4.421 -6.275 7.933 1.00 4.02 H new ATOM 0 HA ARG A 94 2.546 -7.602 9.651 1.00 4.30 H new ATOM 0 HB2 ARG A 94 2.973 -4.733 8.724 1.00 15.44 H new ATOM 0 HB3 ARG A 94 1.728 -5.190 9.870 1.00 15.44 H new ATOM 0 HG2 ARG A 94 4.281 -6.277 10.731 1.00 15.34 H new ATOM 0 HG3 ARG A 94 4.455 -4.565 10.402 1.00 15.34 H new ATOM 0 HD2 ARG A 94 3.847 -4.721 12.702 1.00 0.14 H new ATOM 0 HD3 ARG A 94 2.411 -4.160 11.870 1.00 0.14 H new ATOM 0 HE ARG A 94 2.264 -7.001 11.997 1.00 73.23 H new ATOM 0 HH11 ARG A 94 2.124 -4.196 14.150 1.00 0.24 H new ATOM 0 HH12 ARG A 94 1.163 -5.043 15.366 1.00 0.24 H new ATOM 0 HH21 ARG A 94 1.085 -8.081 13.616 1.00 54.23 H new ATOM 0 HH22 ARG A 94 0.584 -7.210 15.069 1.00 54.23 H new ATOM 1447 N LYS A 95 1.586 -7.145 6.655 1.00 64.55 N ATOM 1448 CA LYS A 95 0.503 -7.069 5.683 1.00 31.40 C ATOM 1449 C LYS A 95 -0.680 -7.928 6.095 1.00 12.31 C ATOM 1450 O LYS A 95 -1.810 -7.467 6.015 1.00 43.14 O ATOM 1451 CB LYS A 95 0.991 -7.471 4.283 1.00 60.33 C ATOM 1452 CG LYS A 95 -0.147 -7.505 3.247 1.00 40.42 C ATOM 1453 CD LYS A 95 0.364 -7.996 1.889 1.00 51.13 C ATOM 1454 CE LYS A 95 -0.484 -9.156 1.364 1.00 53.12 C ATOM 1455 NZ LYS A 95 0.343 -10.221 0.763 1.00 12.34 N ATOM 0 H LYS A 95 2.495 -7.328 6.231 1.00 64.55 H new ATOM 0 HA LYS A 95 0.170 -6.032 5.651 1.00 31.40 H new ATOM 0 HB2 LYS A 95 1.757 -6.769 3.953 1.00 60.33 H new ATOM 0 HB3 LYS A 95 1.460 -8.453 4.334 1.00 60.33 H new ATOM 0 HG2 LYS A 95 -0.944 -8.160 3.598 1.00 40.42 H new ATOM 0 HG3 LYS A 95 -0.576 -6.509 3.140 1.00 40.42 H new ATOM 0 HD2 LYS A 95 0.345 -7.175 1.172 1.00 51.13 H new ATOM 0 HD3 LYS A 95 1.402 -8.314 1.982 1.00 51.13 H new ATOM 0 HE2 LYS A 95 -1.073 -9.573 2.181 1.00 53.12 H new ATOM 0 HE3 LYS A 95 -1.189 -8.782 0.621 1.00 53.12 H new ATOM 0 HZ1 LYS A 95 -0.275 -10.954 0.360 1.00 12.34 H new ATOM 0 HZ2 LYS A 95 0.937 -9.817 0.011 1.00 12.34 H new ATOM 0 HZ3 LYS A 95 0.950 -10.643 1.494 1.00 12.34 H new ATOM 1469 N ASP A 96 -0.416 -9.165 6.503 1.00 44.34 N ATOM 1470 CA ASP A 96 -1.417 -10.160 6.879 1.00 73.14 C ATOM 1471 C ASP A 96 -2.454 -9.586 7.847 1.00 22.43 C ATOM 1472 O ASP A 96 -3.662 -9.727 7.640 1.00 31.20 O ATOM 1473 CB ASP A 96 -0.678 -11.343 7.516 1.00 3.50 C ATOM 1474 CG ASP A 96 -1.599 -12.533 7.751 1.00 21.10 C ATOM 1475 OD1 ASP A 96 -1.938 -13.208 6.753 1.00 60.14 O ATOM 1476 OD2 ASP A 96 -1.893 -12.847 8.928 1.00 61.05 O ATOM 0 H ASP A 96 0.538 -9.517 6.584 1.00 44.34 H new ATOM 0 HA ASP A 96 -1.966 -10.479 5.993 1.00 73.14 H new ATOM 0 HB2 ASP A 96 0.147 -11.645 6.870 1.00 3.50 H new ATOM 0 HB3 ASP A 96 -0.242 -11.029 8.465 1.00 3.50 H new ATOM 1481 N GLN A 97 -1.951 -8.902 8.876 1.00 31.14 N ATOM 1482 CA GLN A 97 -2.716 -8.258 9.925 1.00 12.34 C ATOM 1483 C GLN A 97 -3.325 -6.951 9.412 1.00 0.22 C ATOM 1484 O GLN A 97 -4.535 -6.776 9.493 1.00 55.31 O ATOM 1485 CB GLN A 97 -1.775 -8.069 11.131 1.00 24.20 C ATOM 1486 CG GLN A 97 -2.347 -7.257 12.300 1.00 63.32 C ATOM 1487 CD GLN A 97 -3.760 -7.681 12.702 1.00 71.04 C ATOM 1488 OE1 GLN A 97 -4.073 -8.868 12.771 1.00 34.40 O ATOM 1489 NE2 GLN A 97 -4.641 -6.725 12.931 1.00 43.22 N ATOM 0 H GLN A 97 -0.946 -8.781 8.999 1.00 31.14 H new ATOM 0 HA GLN A 97 -3.563 -8.867 10.241 1.00 12.34 H new ATOM 0 HB2 GLN A 97 -1.488 -9.053 11.502 1.00 24.20 H new ATOM 0 HB3 GLN A 97 -0.864 -7.581 10.785 1.00 24.20 H new ATOM 0 HG2 GLN A 97 -1.686 -7.359 13.161 1.00 63.32 H new ATOM 0 HG3 GLN A 97 -2.356 -6.201 12.029 1.00 63.32 H new ATOM 0 HE21 GLN A 97 -4.360 -5.747 12.868 1.00 43.22 H new ATOM 0 HE22 GLN A 97 -5.603 -6.965 13.171 1.00 43.22 H new ATOM 1498 N LEU A 98 -2.509 -6.051 8.858 1.00 64.03 N ATOM 1499 CA LEU A 98 -2.907 -4.732 8.365 1.00 55.35 C ATOM 1500 C LEU A 98 -4.045 -4.837 7.360 1.00 31.44 C ATOM 1501 O LEU A 98 -4.929 -3.992 7.302 1.00 33.10 O ATOM 1502 CB LEU A 98 -1.706 -4.104 7.647 1.00 20.00 C ATOM 1503 CG LEU A 98 -0.727 -3.276 8.488 1.00 71.34 C ATOM 1504 CD1 LEU A 98 -0.543 -3.784 9.911 1.00 72.35 C ATOM 1505 CD2 LEU A 98 0.609 -3.234 7.750 1.00 70.34 C ATOM 0 H LEU A 98 -1.512 -6.230 8.736 1.00 64.03 H new ATOM 0 HA LEU A 98 -3.236 -4.131 9.213 1.00 55.35 H new ATOM 0 HB2 LEU A 98 -1.143 -4.906 7.170 1.00 20.00 H new ATOM 0 HB3 LEU A 98 -2.088 -3.465 6.851 1.00 20.00 H new ATOM 0 HG LEU A 98 -1.149 -2.277 8.602 1.00 71.34 H new ATOM 0 HD11 LEU A 98 0.164 -3.143 10.437 1.00 72.35 H new ATOM 0 HD12 LEU A 98 -1.502 -3.769 10.429 1.00 72.35 H new ATOM 0 HD13 LEU A 98 -0.160 -4.804 9.886 1.00 72.35 H new ATOM 0 HD21 LEU A 98 1.325 -2.650 8.328 1.00 70.34 H new ATOM 0 HD22 LEU A 98 0.987 -4.249 7.623 1.00 70.34 H new ATOM 0 HD23 LEU A 98 0.470 -2.773 6.772 1.00 70.34 H new ATOM 1517 N TRP A 99 -4.002 -5.855 6.509 1.00 2.51 N ATOM 1518 CA TRP A 99 -5.022 -6.062 5.510 1.00 3.21 C ATOM 1519 C TRP A 99 -6.324 -6.501 6.165 1.00 60.05 C ATOM 1520 O TRP A 99 -7.362 -5.919 5.863 1.00 75.24 O ATOM 1521 CB TRP A 99 -4.530 -7.053 4.460 1.00 53.43 C ATOM 1522 CG TRP A 99 -5.421 -7.107 3.268 1.00 63.25 C ATOM 1523 CD1 TRP A 99 -6.063 -8.205 2.819 1.00 60.43 C ATOM 1524 CD2 TRP A 99 -5.842 -6.004 2.410 1.00 3.52 C ATOM 1525 NE1 TRP A 99 -6.795 -7.872 1.699 1.00 14.40 N ATOM 1526 CE2 TRP A 99 -6.736 -6.521 1.431 1.00 11.21 C ATOM 1527 CE3 TRP A 99 -5.568 -4.618 2.372 1.00 0.50 C ATOM 1528 CZ2 TRP A 99 -7.329 -5.703 0.462 1.00 24.12 C ATOM 1529 CZ3 TRP A 99 -6.162 -3.785 1.409 1.00 30.23 C ATOM 1530 CH2 TRP A 99 -7.047 -4.330 0.466 1.00 53.12 C ATOM 0 H TRP A 99 -3.259 -6.553 6.498 1.00 2.51 H new ATOM 0 HA TRP A 99 -5.228 -5.123 4.997 1.00 3.21 H new ATOM 0 HB2 TRP A 99 -3.524 -6.775 4.146 1.00 53.43 H new ATOM 0 HB3 TRP A 99 -4.462 -8.046 4.905 1.00 53.43 H new ATOM 0 HD1 TRP A 99 -6.012 -9.187 3.265 1.00 60.43 H new ATOM 0 HE1 TRP A 99 -7.317 -8.544 1.137 1.00 14.40 H new ATOM 0 HE3 TRP A 99 -4.890 -4.191 3.096 1.00 0.50 H new ATOM 0 HZ2 TRP A 99 -7.994 -6.124 -0.278 1.00 24.12 H new ATOM 0 HZ3 TRP A 99 -5.938 -2.729 1.395 1.00 30.23 H new ATOM 0 HH2 TRP A 99 -7.515 -3.686 -0.263 1.00 53.12 H new ATOM 1541 N ALA A 100 -6.278 -7.463 7.093 1.00 32.44 N ATOM 1542 CA ALA A 100 -7.467 -7.846 7.846 1.00 52.33 C ATOM 1543 C ALA A 100 -8.050 -6.638 8.591 1.00 4.10 C ATOM 1544 O ALA A 100 -9.265 -6.539 8.770 1.00 51.22 O ATOM 1545 CB ALA A 100 -7.108 -8.949 8.845 1.00 33.34 C ATOM 0 H ALA A 100 -5.436 -7.984 7.336 1.00 32.44 H new ATOM 0 HA ALA A 100 -8.218 -8.216 7.148 1.00 52.33 H new ATOM 0 HB1 ALA A 100 -7.997 -9.234 9.407 1.00 33.34 H new ATOM 0 HB2 ALA A 100 -6.725 -9.816 8.307 1.00 33.34 H new ATOM 0 HB3 ALA A 100 -6.346 -8.583 9.533 1.00 33.34 H new ATOM 1551 N ASP A 101 -7.182 -5.744 9.063 1.00 44.54 N ATOM 1552 CA ASP A 101 -7.522 -4.496 9.727 1.00 32.02 C ATOM 1553 C ASP A 101 -8.272 -3.582 8.749 1.00 11.21 C ATOM 1554 O ASP A 101 -9.431 -3.236 8.996 1.00 63.41 O ATOM 1555 CB ASP A 101 -6.245 -3.861 10.302 1.00 65.14 C ATOM 1556 CG ASP A 101 -6.537 -2.982 11.507 1.00 13.42 C ATOM 1557 OD1 ASP A 101 -7.238 -1.956 11.357 1.00 74.45 O ATOM 1558 OD2 ASP A 101 -6.062 -3.317 12.615 1.00 51.35 O ATOM 0 H ASP A 101 -6.174 -5.882 8.987 1.00 44.54 H new ATOM 0 HA ASP A 101 -8.194 -4.671 10.567 1.00 32.02 H new ATOM 0 HB2 ASP A 101 -5.547 -4.647 10.588 1.00 65.14 H new ATOM 0 HB3 ASP A 101 -5.757 -3.267 9.530 1.00 65.14 H new ATOM 1563 N TYR A 102 -7.660 -3.247 7.609 1.00 74.22 N ATOM 1564 CA TYR A 102 -8.242 -2.378 6.593 1.00 30.04 C ATOM 1565 C TYR A 102 -9.522 -2.938 5.971 1.00 32.23 C ATOM 1566 O TYR A 102 -10.340 -2.151 5.492 1.00 21.21 O ATOM 1567 CB TYR A 102 -7.223 -2.053 5.487 1.00 51.41 C ATOM 1568 CG TYR A 102 -6.583 -0.684 5.635 1.00 45.13 C ATOM 1569 CD1 TYR A 102 -7.385 0.476 5.611 1.00 11.33 C ATOM 1570 CD2 TYR A 102 -5.197 -0.569 5.845 1.00 25.42 C ATOM 1571 CE1 TYR A 102 -6.808 1.744 5.811 1.00 11.45 C ATOM 1572 CE2 TYR A 102 -4.614 0.694 6.046 1.00 12.25 C ATOM 1573 CZ TYR A 102 -5.419 1.854 6.043 1.00 5.22 C ATOM 1574 OH TYR A 102 -4.864 3.066 6.319 1.00 64.34 O ATOM 0 H TYR A 102 -6.728 -3.581 7.366 1.00 74.22 H new ATOM 0 HA TYR A 102 -8.516 -1.462 7.116 1.00 30.04 H new ATOM 0 HB2 TYR A 102 -6.441 -2.813 5.490 1.00 51.41 H new ATOM 0 HB3 TYR A 102 -7.720 -2.110 4.518 1.00 51.41 H new ATOM 0 HD1 TYR A 102 -8.448 0.391 5.438 1.00 11.33 H new ATOM 0 HD2 TYR A 102 -4.579 -1.454 5.852 1.00 25.42 H new ATOM 0 HE1 TYR A 102 -7.425 2.630 5.787 1.00 11.45 H new ATOM 0 HE2 TYR A 102 -3.549 0.777 6.203 1.00 12.25 H new ATOM 0 HH TYR A 102 -3.899 2.961 6.453 1.00 64.34 H new ATOM 1584 N LEU A 103 -9.713 -4.260 5.927 1.00 41.15 N ATOM 1585 CA LEU A 103 -10.955 -4.855 5.436 1.00 71.45 C ATOM 1586 C LEU A 103 -12.087 -4.621 6.420 1.00 44.14 C ATOM 1587 O LEU A 103 -13.202 -4.317 6.000 1.00 74.02 O ATOM 1588 CB LEU A 103 -10.834 -6.369 5.236 1.00 35.20 C ATOM 1589 CG LEU A 103 -9.938 -6.757 4.041 1.00 0.44 C ATOM 1590 CD1 LEU A 103 -9.586 -8.244 4.086 1.00 71.34 C ATOM 1591 CD2 LEU A 103 -10.551 -6.440 2.679 1.00 73.22 C ATOM 0 H LEU A 103 -9.016 -4.941 6.228 1.00 41.15 H new ATOM 0 HA LEU A 103 -11.160 -4.376 4.479 1.00 71.45 H new ATOM 0 HB2 LEU A 103 -10.431 -6.817 6.144 1.00 35.20 H new ATOM 0 HB3 LEU A 103 -11.829 -6.790 5.087 1.00 35.20 H new ATOM 0 HG LEU A 103 -9.042 -6.145 4.146 1.00 0.44 H new ATOM 0 HD11 LEU A 103 -8.954 -8.494 3.234 1.00 71.34 H new ATOM 0 HD12 LEU A 103 -9.052 -8.464 5.011 1.00 71.34 H new ATOM 0 HD13 LEU A 103 -10.500 -8.836 4.046 1.00 71.34 H new ATOM 0 HD21 LEU A 103 -9.861 -6.742 1.891 1.00 73.22 H new ATOM 0 HD22 LEU A 103 -11.490 -6.983 2.567 1.00 73.22 H new ATOM 0 HD23 LEU A 103 -10.740 -5.369 2.605 1.00 73.22 H new ATOM 1603 N ALA A 104 -11.826 -4.808 7.716 1.00 62.24 N ATOM 1604 CA ALA A 104 -12.821 -4.576 8.751 1.00 44.45 C ATOM 1605 C ALA A 104 -13.222 -3.104 8.750 1.00 12.52 C ATOM 1606 O ALA A 104 -14.406 -2.799 8.836 1.00 43.43 O ATOM 1607 CB ALA A 104 -12.269 -5.010 10.105 1.00 61.05 C ATOM 0 H ALA A 104 -10.923 -5.123 8.070 1.00 62.24 H new ATOM 0 HA ALA A 104 -13.713 -5.169 8.551 1.00 44.45 H new ATOM 0 HB1 ALA A 104 -13.018 -4.834 10.877 1.00 61.05 H new ATOM 0 HB2 ALA A 104 -12.022 -6.071 10.074 1.00 61.05 H new ATOM 0 HB3 ALA A 104 -11.371 -4.435 10.333 1.00 61.05 H new ATOM 1613 N GLU A 105 -12.252 -2.205 8.589 1.00 53.55 N ATOM 1614 CA GLU A 105 -12.477 -0.779 8.413 1.00 52.12 C ATOM 1615 C GLU A 105 -13.381 -0.504 7.212 1.00 65.25 C ATOM 1616 O GLU A 105 -14.415 0.143 7.355 1.00 3.40 O ATOM 1617 CB GLU A 105 -11.111 -0.101 8.257 1.00 3.20 C ATOM 1618 CG GLU A 105 -10.665 0.582 9.549 1.00 63.01 C ATOM 1619 CD GLU A 105 -11.036 2.066 9.554 1.00 51.13 C ATOM 1620 OE1 GLU A 105 -12.158 2.439 9.153 1.00 25.23 O ATOM 1621 OE2 GLU A 105 -10.152 2.890 9.879 1.00 11.52 O ATOM 0 H GLU A 105 -11.264 -2.459 8.578 1.00 53.55 H new ATOM 0 HA GLU A 105 -12.992 -0.372 9.283 1.00 52.12 H new ATOM 0 HB2 GLU A 105 -10.369 -0.843 7.963 1.00 3.20 H new ATOM 0 HB3 GLU A 105 -11.160 0.635 7.455 1.00 3.20 H new ATOM 0 HG2 GLU A 105 -11.128 0.087 10.402 1.00 63.01 H new ATOM 0 HG3 GLU A 105 -9.587 0.475 9.665 1.00 63.01 H new ATOM 1628 N LEU A 106 -13.027 -1.024 6.030 1.00 63.03 N ATOM 1629 CA LEU A 106 -13.798 -0.817 4.805 1.00 54.52 C ATOM 1630 C LEU A 106 -15.253 -1.239 4.984 1.00 5.24 C ATOM 1631 O LEU A 106 -16.175 -0.525 4.585 1.00 1.52 O ATOM 1632 CB LEU A 106 -13.162 -1.587 3.623 1.00 63.34 C ATOM 1633 CG LEU A 106 -12.870 -0.739 2.374 1.00 42.25 C ATOM 1634 CD1 LEU A 106 -14.123 0.016 1.961 1.00 5.51 C ATOM 1635 CD2 LEU A 106 -11.714 0.244 2.580 1.00 54.12 C ATOM 0 H LEU A 106 -12.196 -1.601 5.900 1.00 63.03 H new ATOM 0 HA LEU A 106 -13.780 0.250 4.582 1.00 54.52 H new ATOM 0 HB2 LEU A 106 -12.230 -2.038 3.963 1.00 63.34 H new ATOM 0 HB3 LEU A 106 -13.827 -2.403 3.342 1.00 63.34 H new ATOM 0 HG LEU A 106 -12.567 -1.426 1.584 1.00 42.25 H new ATOM 0 HD11 LEU A 106 -13.911 0.616 1.076 1.00 5.51 H new ATOM 0 HD12 LEU A 106 -14.919 -0.695 1.736 1.00 5.51 H new ATOM 0 HD13 LEU A 106 -14.439 0.669 2.774 1.00 5.51 H new ATOM 0 HD21 LEU A 106 -11.554 0.815 1.665 1.00 54.12 H new ATOM 0 HD22 LEU A 106 -11.957 0.926 3.395 1.00 54.12 H new ATOM 0 HD23 LEU A 106 -10.807 -0.308 2.827 1.00 54.12 H new ATOM 1647 N ALA A 107 -15.421 -2.407 5.600 1.00 11.13 N ATOM 1648 CA ALA A 107 -16.698 -3.023 5.879 1.00 5.12 C ATOM 1649 C ALA A 107 -17.505 -2.124 6.828 1.00 64.44 C ATOM 1650 O ALA A 107 -18.659 -1.798 6.543 1.00 2.14 O ATOM 1651 CB ALA A 107 -16.421 -4.423 6.449 1.00 20.42 C ATOM 0 H ALA A 107 -14.633 -2.966 5.928 1.00 11.13 H new ATOM 0 HA ALA A 107 -17.306 -3.136 4.981 1.00 5.12 H new ATOM 0 HB1 ALA A 107 -17.366 -4.919 6.672 1.00 20.42 H new ATOM 0 HB2 ALA A 107 -15.867 -5.011 5.717 1.00 20.42 H new ATOM 0 HB3 ALA A 107 -15.834 -4.334 7.363 1.00 20.42 H new ATOM 1657 N SER A 108 -16.883 -1.695 7.928 1.00 63.25 N ATOM 1658 CA SER A 108 -17.479 -0.885 8.978 1.00 30.30 C ATOM 1659 C SER A 108 -17.883 0.500 8.477 1.00 11.21 C ATOM 1660 O SER A 108 -18.947 0.993 8.855 1.00 50.13 O ATOM 1661 CB SER A 108 -16.480 -0.802 10.138 1.00 73.31 C ATOM 1662 OG SER A 108 -17.074 -0.246 11.291 1.00 31.34 O ATOM 0 H SER A 108 -15.905 -1.916 8.114 1.00 63.25 H new ATOM 0 HA SER A 108 -18.403 -1.353 9.318 1.00 30.30 H new ATOM 0 HB2 SER A 108 -16.102 -1.798 10.366 1.00 73.31 H new ATOM 0 HB3 SER A 108 -15.624 -0.197 9.840 1.00 73.31 H new ATOM 0 HG SER A 108 -16.413 -0.208 12.013 1.00 31.34 H new ATOM 1668 N ALA A 109 -17.077 1.138 7.624 1.00 33.00 N ATOM 1669 CA ALA A 109 -17.421 2.432 7.042 1.00 5.42 C ATOM 1670 C ALA A 109 -18.554 2.324 6.019 1.00 71.30 C ATOM 1671 O ALA A 109 -19.095 3.353 5.604 1.00 51.40 O ATOM 1672 CB ALA A 109 -16.189 3.035 6.370 1.00 32.15 C ATOM 0 H ALA A 109 -16.174 0.773 7.321 1.00 33.00 H new ATOM 0 HA ALA A 109 -17.766 3.074 7.853 1.00 5.42 H new ATOM 0 HB1 ALA A 109 -16.447 4.001 5.936 1.00 32.15 H new ATOM 0 HB2 ALA A 109 -15.400 3.169 7.110 1.00 32.15 H new ATOM 0 HB3 ALA A 109 -15.839 2.366 5.584 1.00 32.15 H new ATOM 1678 N GLY A 110 -18.907 1.108 5.590 1.00 14.13 N ATOM 1679 CA GLY A 110 -19.893 0.878 4.550 1.00 11.42 C ATOM 1680 C GLY A 110 -19.466 1.491 3.221 1.00 53.44 C ATOM 1681 O GLY A 110 -20.326 1.965 2.482 1.00 74.42 O ATOM 0 H GLY A 110 -18.505 0.249 5.966 1.00 14.13 H new ATOM 0 HA2 GLY A 110 -20.045 -0.194 4.424 1.00 11.42 H new ATOM 0 HA3 GLY A 110 -20.850 1.302 4.855 1.00 11.42 H new ATOM 1685 N LYS A 111 -18.161 1.539 2.930 1.00 4.10 N ATOM 1686 CA LYS A 111 -17.662 1.861 1.594 1.00 64.32 C ATOM 1687 C LYS A 111 -17.321 0.544 0.905 1.00 25.21 C ATOM 1688 O LYS A 111 -17.726 -0.532 1.354 1.00 63.23 O ATOM 1689 CB LYS A 111 -16.450 2.806 1.660 1.00 43.31 C ATOM 1690 CG LYS A 111 -16.668 4.144 2.359 1.00 11.52 C ATOM 1691 CD LYS A 111 -17.726 5.000 1.667 1.00 45.14 C ATOM 1692 CE LYS A 111 -17.616 6.423 2.210 1.00 2.22 C ATOM 1693 NZ LYS A 111 -18.785 7.253 1.862 1.00 54.53 N ATOM 0 H LYS A 111 -17.426 1.356 3.613 1.00 4.10 H new ATOM 0 HA LYS A 111 -18.422 2.393 1.022 1.00 64.32 H new ATOM 0 HB2 LYS A 111 -15.638 2.285 2.167 1.00 43.31 H new ATOM 0 HB3 LYS A 111 -16.115 3.004 0.642 1.00 43.31 H new ATOM 0 HG2 LYS A 111 -16.968 3.966 3.392 1.00 11.52 H new ATOM 0 HG3 LYS A 111 -15.726 4.692 2.390 1.00 11.52 H new ATOM 0 HD2 LYS A 111 -17.575 4.992 0.587 1.00 45.14 H new ATOM 0 HD3 LYS A 111 -18.722 4.598 1.853 1.00 45.14 H new ATOM 0 HE2 LYS A 111 -17.510 6.387 3.294 1.00 2.22 H new ATOM 0 HE3 LYS A 111 -16.713 6.890 1.816 1.00 2.22 H new ATOM 0 HZ1 LYS A 111 -18.661 8.209 2.254 1.00 54.53 H new ATOM 0 HZ2 LYS A 111 -18.874 7.312 0.827 1.00 54.53 H new ATOM 0 HZ3 LYS A 111 -19.645 6.825 2.259 1.00 54.53 H new ATOM 1707 N SER A 112 -16.570 0.583 -0.188 1.00 5.30 N ATOM 1708 CA SER A 112 -16.022 -0.610 -0.800 1.00 3.42 C ATOM 1709 C SER A 112 -14.624 -0.386 -1.346 1.00 53.41 C ATOM 1710 O SER A 112 -14.161 0.736 -1.557 1.00 33.43 O ATOM 1711 CB SER A 112 -17.005 -1.097 -1.850 1.00 62.43 C ATOM 1712 OG SER A 112 -18.031 -1.815 -1.183 1.00 1.10 O ATOM 0 H SER A 112 -16.326 1.447 -0.672 1.00 5.30 H new ATOM 0 HA SER A 112 -15.897 -1.389 -0.047 1.00 3.42 H new ATOM 0 HB2 SER A 112 -17.424 -0.255 -2.401 1.00 62.43 H new ATOM 0 HB3 SER A 112 -16.503 -1.735 -2.577 1.00 62.43 H new ATOM 0 HG SER A 112 -17.998 -1.618 -0.224 1.00 1.10 H new ATOM 1718 N ARG A 113 -13.916 -1.497 -1.533 1.00 23.34 N ATOM 1719 CA ARG A 113 -12.641 -1.455 -2.221 1.00 41.23 C ATOM 1720 C ARG A 113 -12.853 -1.010 -3.663 1.00 12.43 C ATOM 1721 O ARG A 113 -11.983 -0.334 -4.196 1.00 73.23 O ATOM 1722 CB ARG A 113 -11.937 -2.811 -2.163 1.00 61.12 C ATOM 1723 CG ARG A 113 -11.578 -3.249 -0.741 1.00 51.32 C ATOM 1724 CD ARG A 113 -10.491 -4.335 -0.783 1.00 52.55 C ATOM 1725 NE ARG A 113 -10.956 -5.665 -0.369 1.00 61.33 N ATOM 1726 CZ ARG A 113 -11.883 -6.467 -0.908 1.00 15.21 C ATOM 1727 NH1 ARG A 113 -12.566 -6.093 -1.977 1.00 34.01 N ATOM 1728 NH2 ARG A 113 -12.136 -7.651 -0.364 1.00 42.12 N ATOM 0 H ARG A 113 -14.204 -2.424 -1.220 1.00 23.34 H new ATOM 0 HA ARG A 113 -11.996 -0.734 -1.720 1.00 41.23 H new ATOM 0 HB2 ARG A 113 -12.580 -3.566 -2.616 1.00 61.12 H new ATOM 0 HB3 ARG A 113 -11.027 -2.766 -2.762 1.00 61.12 H new ATOM 0 HG2 ARG A 113 -11.226 -2.393 -0.166 1.00 51.32 H new ATOM 0 HG3 ARG A 113 -12.465 -3.630 -0.234 1.00 51.32 H new ATOM 0 HD2 ARG A 113 -10.096 -4.399 -1.797 1.00 52.55 H new ATOM 0 HD3 ARG A 113 -9.666 -4.033 -0.138 1.00 52.55 H new ATOM 0 HE ARG A 113 -10.499 -6.038 0.463 1.00 61.33 H new ATOM 0 HH11 ARG A 113 -12.390 -5.183 -2.402 1.00 34.01 H new ATOM 0 HH12 ARG A 113 -13.269 -6.715 -2.376 1.00 34.01 H new ATOM 0 HH21 ARG A 113 -11.624 -7.951 0.466 1.00 42.12 H new ATOM 0 HH22 ARG A 113 -12.842 -8.261 -0.776 1.00 42.12 H new ATOM 1742 N ASP A 114 -13.960 -1.386 -4.315 1.00 70.31 N ATOM 1743 CA ASP A 114 -14.220 -0.857 -5.660 1.00 61.03 C ATOM 1744 C ASP A 114 -14.569 0.634 -5.550 1.00 63.24 C ATOM 1745 O ASP A 114 -15.230 1.031 -4.585 1.00 65.23 O ATOM 1746 CB ASP A 114 -15.320 -1.633 -6.408 1.00 32.23 C ATOM 1747 CG ASP A 114 -14.896 -2.139 -7.791 1.00 14.24 C ATOM 1748 OD1 ASP A 114 -13.752 -2.592 -7.964 1.00 73.43 O ATOM 1749 OD2 ASP A 114 -15.706 -2.063 -8.744 1.00 45.55 O ATOM 0 H ASP A 114 -14.665 -2.028 -3.952 1.00 70.31 H new ATOM 0 HA ASP A 114 -13.315 -0.984 -6.254 1.00 61.03 H new ATOM 0 HB2 ASP A 114 -15.628 -2.484 -5.800 1.00 32.23 H new ATOM 0 HB3 ASP A 114 -16.192 -0.989 -6.520 1.00 32.23 H new ATOM 1754 N PRO A 115 -14.160 1.467 -6.521 1.00 52.22 N ATOM 1755 CA PRO A 115 -14.227 2.925 -6.416 1.00 24.44 C ATOM 1756 C PRO A 115 -15.640 3.498 -6.438 1.00 74.42 C ATOM 1757 O PRO A 115 -15.850 4.641 -6.012 1.00 34.42 O ATOM 1758 CB PRO A 115 -13.406 3.448 -7.595 1.00 65.02 C ATOM 1759 CG PRO A 115 -13.399 2.305 -8.606 1.00 4.33 C ATOM 1760 CD PRO A 115 -13.450 1.066 -7.723 1.00 50.25 C ATOM 0 HA PRO A 115 -13.839 3.240 -5.447 1.00 24.44 H new ATOM 0 HB2 PRO A 115 -13.852 4.348 -8.019 1.00 65.02 H new ATOM 0 HB3 PRO A 115 -12.394 3.709 -7.287 1.00 65.02 H new ATOM 0 HG2 PRO A 115 -14.255 2.356 -9.279 1.00 4.33 H new ATOM 0 HG3 PRO A 115 -12.504 2.321 -9.227 1.00 4.33 H new ATOM 0 HD2 PRO A 115 -13.964 0.248 -8.227 1.00 50.25 H new ATOM 0 HD3 PRO A 115 -12.446 0.713 -7.485 1.00 50.25 H new