USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 707 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 NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 64 THR OG1 : rot 180:sc= -0.0115 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.00637 X(o=-0.0051,f=-0.033) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0795 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.267 USER MOD Single : A 3 SER OG : rot 27:sc= 1.09 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0325 USER MOD Single : A 6 SER OG : rot 12:sc= 1.17 USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.134) USER MOD Single : A 16 TYR OH : rot -137:sc= 1.99 USER MOD Single : A 20 SER OG : rot -170:sc= -0.857 USER MOD Single : A 24 GLN : amide:sc= -1.6! K(o=-1.6!,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.276 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= -0.977 (180deg=-1.9!) USER MOD Single : A 54 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-0.55) USER MOD Single : A 55 MET CE :methyl -172:sc= -1.86 (180deg=-2.05) USER MOD Single : A 57 ASN : amide:sc= -0.0565 X(o=-0.057,f=-0.44) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= -0.133 (180deg=-0.531) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 62 MET CE :methyl -153:sc= -0.112 (180deg=-1.18) USER MOD Single : A 66 HIS : no HD1:sc= -0.584 K(o=-0.58,f=-0.081) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -136:sc= -0.321 (180deg=-2.94!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -11.4! C(o=-11!,f=-14!) USER MOD Single : A 83 MET CE :methyl -165:sc= -0.0282 (180deg=-0.326) USER MOD Single : A 85 ASN : amide:sc= -0.0366 K(o=-0.037,f=-2.8!) USER MOD Single : A 87 ASN : amide:sc= -0.566 K(o=-0.57,f=-0.013) USER MOD Single : A 88 SER OG : rot 113:sc= 0.468 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 110:sc= 0.63 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.348 30.048 41.965 1.00 0.00 N ATOM 2 CA GLY A 1 10.698 28.909 41.136 1.00 0.00 C ATOM 3 C GLY A 1 11.204 29.321 39.768 1.00 0.00 C ATOM 4 O GLY A 1 11.388 30.508 39.499 1.00 0.00 O ATOM 0 H1 GLY A 1 10.855 29.987 42.871 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.615 30.927 41.478 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.323 30.047 42.141 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.463 28.318 41.640 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.825 28.267 41.019 1.00 0.00 H new ATOM 8 N SER A 2 11.432 28.339 38.902 1.00 0.00 N ATOM 9 CA SER A 2 11.926 28.605 37.556 1.00 0.00 C ATOM 10 C SER A 2 11.425 27.550 36.575 1.00 0.00 C ATOM 11 O SER A 2 11.149 26.413 36.957 1.00 0.00 O ATOM 12 CB SER A 2 13.455 28.640 37.549 1.00 0.00 C ATOM 13 OG SER A 2 13.939 29.889 38.011 1.00 0.00 O ATOM 0 H SER A 2 11.282 27.351 39.109 1.00 0.00 H new ATOM 0 HA SER A 2 11.546 29.577 37.242 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.843 27.840 38.180 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.821 28.456 36.539 1.00 0.00 H new ATOM 0 HG SER A 2 13.208 30.387 38.433 1.00 0.00 H new ATOM 19 N SER A 3 11.309 27.936 35.308 1.00 0.00 N ATOM 20 CA SER A 3 10.838 27.026 34.271 1.00 0.00 C ATOM 21 C SER A 3 11.227 27.532 32.886 1.00 0.00 C ATOM 22 O SER A 3 11.820 28.601 32.747 1.00 0.00 O ATOM 23 CB SER A 3 9.319 26.861 34.359 1.00 0.00 C ATOM 24 OG SER A 3 8.964 25.942 35.377 1.00 0.00 O ATOM 0 H SER A 3 11.535 28.873 34.975 1.00 0.00 H new ATOM 0 HA SER A 3 11.311 26.057 34.430 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.856 27.827 34.560 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.932 26.515 33.401 1.00 0.00 H new ATOM 0 HG SER A 3 9.664 25.927 36.063 1.00 0.00 H new ATOM 30 N GLY A 4 10.888 26.755 31.862 1.00 0.00 N ATOM 31 CA GLY A 4 11.209 27.140 30.500 1.00 0.00 C ATOM 32 C GLY A 4 10.369 26.403 29.475 1.00 0.00 C ATOM 33 O GLY A 4 9.427 25.695 29.829 1.00 0.00 O ATOM 0 H GLY A 4 10.397 25.866 31.951 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.059 28.213 30.384 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.264 26.944 30.309 1.00 0.00 H new ATOM 37 N SER A 5 10.710 26.571 28.202 1.00 0.00 N ATOM 38 CA SER A 5 9.977 25.921 27.122 1.00 0.00 C ATOM 39 C SER A 5 10.896 25.630 25.940 1.00 0.00 C ATOM 40 O SER A 5 11.879 26.335 25.715 1.00 0.00 O ATOM 41 CB SER A 5 8.808 26.798 26.670 1.00 0.00 C ATOM 42 OG SER A 5 7.975 27.142 27.764 1.00 0.00 O ATOM 0 H SER A 5 11.489 27.152 27.893 1.00 0.00 H new ATOM 0 HA SER A 5 9.588 24.975 27.499 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.190 27.705 26.201 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.224 26.270 25.916 1.00 0.00 H new ATOM 0 HG SER A 5 7.236 27.704 27.449 1.00 0.00 H new ATOM 48 N SER A 6 10.568 24.584 25.187 1.00 0.00 N ATOM 49 CA SER A 6 11.366 24.196 24.030 1.00 0.00 C ATOM 50 C SER A 6 10.601 23.213 23.148 1.00 0.00 C ATOM 51 O SER A 6 9.521 22.747 23.510 1.00 0.00 O ATOM 52 CB SER A 6 12.688 23.572 24.481 1.00 0.00 C ATOM 53 OG SER A 6 13.626 24.571 24.842 1.00 0.00 O ATOM 0 H SER A 6 9.756 23.991 25.358 1.00 0.00 H new ATOM 0 HA SER A 6 11.576 25.093 23.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.511 22.911 25.330 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.097 22.958 23.678 1.00 0.00 H new ATOM 0 HG SER A 6 13.171 25.436 24.913 1.00 0.00 H new ATOM 59 N GLY A 7 11.170 22.901 21.988 1.00 0.00 N ATOM 60 CA GLY A 7 10.529 21.975 21.072 1.00 0.00 C ATOM 61 C GLY A 7 11.306 21.806 19.781 1.00 0.00 C ATOM 62 O GLY A 7 12.264 22.535 19.525 1.00 0.00 O ATOM 0 H GLY A 7 12.064 23.273 21.666 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.421 21.005 21.557 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.524 22.331 20.844 1.00 0.00 H new ATOM 66 N ARG A 8 10.894 20.840 18.967 1.00 0.00 N ATOM 67 CA ARG A 8 11.559 20.574 17.698 1.00 0.00 C ATOM 68 C ARG A 8 10.773 19.560 16.873 1.00 0.00 C ATOM 69 O ARG A 8 9.991 18.778 17.414 1.00 0.00 O ATOM 70 CB ARG A 8 12.979 20.059 17.940 1.00 0.00 C ATOM 71 CG ARG A 8 13.952 20.406 16.824 1.00 0.00 C ATOM 72 CD ARG A 8 15.326 19.808 17.077 1.00 0.00 C ATOM 73 NE ARG A 8 16.082 20.572 18.066 1.00 0.00 N ATOM 74 CZ ARG A 8 15.976 20.384 19.377 1.00 0.00 C ATOM 75 NH1 ARG A 8 15.150 19.463 19.854 1.00 0.00 N ATOM 76 NH2 ARG A 8 16.698 21.119 20.214 1.00 0.00 N ATOM 0 H ARG A 8 10.102 20.228 19.164 1.00 0.00 H new ATOM 0 HA ARG A 8 11.609 21.509 17.140 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.352 20.473 18.877 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.948 18.976 18.060 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.564 20.039 15.874 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.036 21.489 16.737 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.216 18.779 17.420 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.884 19.774 16.141 1.00 0.00 H new ATOM 0 HE ARG A 8 16.726 21.289 17.732 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.594 18.896 19.214 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.071 19.321 20.861 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.334 21.828 19.851 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.616 20.974 21.220 1.00 0.00 H new ATOM 90 N ILE A 9 10.985 19.579 15.561 1.00 0.00 N ATOM 91 CA ILE A 9 10.297 18.661 14.663 1.00 0.00 C ATOM 92 C ILE A 9 11.171 17.457 14.332 1.00 0.00 C ATOM 93 O ILE A 9 12.321 17.374 14.764 1.00 0.00 O ATOM 94 CB ILE A 9 9.886 19.358 13.352 1.00 0.00 C ATOM 95 CG1 ILE A 9 11.115 19.940 12.651 1.00 0.00 C ATOM 96 CG2 ILE A 9 8.862 20.449 13.631 1.00 0.00 C ATOM 97 CD1 ILE A 9 10.880 20.269 11.194 1.00 0.00 C ATOM 0 H ILE A 9 11.628 20.220 15.097 1.00 0.00 H new ATOM 0 HA ILE A 9 9.400 18.324 15.183 1.00 0.00 H new ATOM 0 HB ILE A 9 9.431 18.619 12.692 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.427 20.844 13.174 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.937 19.228 12.726 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.581 20.932 12.695 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.978 20.009 14.092 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.293 21.188 14.306 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.793 20.677 10.761 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.597 19.363 10.657 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.079 21.004 11.112 1.00 0.00 H new ATOM 109 N ARG A 10 10.620 16.526 13.560 1.00 0.00 N ATOM 110 CA ARG A 10 11.349 15.326 13.170 1.00 0.00 C ATOM 111 C ARG A 10 11.576 15.293 11.662 1.00 0.00 C ATOM 112 O ARG A 10 12.713 15.342 11.192 1.00 0.00 O ATOM 113 CB ARG A 10 10.587 14.074 13.610 1.00 0.00 C ATOM 114 CG ARG A 10 10.961 13.590 15.001 1.00 0.00 C ATOM 115 CD ARG A 10 12.266 12.810 14.988 1.00 0.00 C ATOM 116 NE ARG A 10 12.533 12.166 16.271 1.00 0.00 N ATOM 117 CZ ARG A 10 13.615 11.436 16.517 1.00 0.00 C ATOM 118 NH1 ARG A 10 14.527 11.258 15.571 1.00 0.00 N ATOM 119 NH2 ARG A 10 13.786 10.882 17.710 1.00 0.00 N ATOM 0 H ARG A 10 9.670 16.580 13.192 1.00 0.00 H new ATOM 0 HA ARG A 10 12.320 15.345 13.665 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.517 14.282 13.582 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.775 13.274 12.894 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.053 14.444 15.672 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.163 12.960 15.395 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.228 12.054 14.204 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.088 13.483 14.742 1.00 0.00 H new ATOM 0 HE ARG A 10 11.851 12.283 17.020 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.398 11.682 14.652 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.357 10.697 15.762 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.086 11.016 18.440 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.617 10.322 17.898 1.00 0.00 H new ATOM 133 N LYS A 11 10.485 15.209 10.907 1.00 0.00 N ATOM 134 CA LYS A 11 10.563 15.170 9.451 1.00 0.00 C ATOM 135 C LYS A 11 9.216 15.517 8.825 1.00 0.00 C ATOM 136 O LYS A 11 8.179 14.992 9.232 1.00 0.00 O ATOM 137 CB LYS A 11 11.015 13.786 8.981 1.00 0.00 C ATOM 138 CG LYS A 11 11.759 13.807 7.657 1.00 0.00 C ATOM 139 CD LYS A 11 10.819 13.581 6.485 1.00 0.00 C ATOM 140 CE LYS A 11 10.780 12.117 6.075 1.00 0.00 C ATOM 141 NZ LYS A 11 9.726 11.363 6.809 1.00 0.00 N ATOM 0 H LYS A 11 9.536 15.167 11.280 1.00 0.00 H new ATOM 0 HA LYS A 11 11.294 15.912 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.658 13.345 9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.142 13.140 8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.266 14.765 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.530 13.037 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.816 13.911 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.139 14.188 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.598 12.045 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.752 11.661 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.616 10.419 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.001 11.265 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.824 11.877 6.747 1.00 0.00 H new ATOM 155 N GLU A 12 9.239 16.402 7.834 1.00 0.00 N ATOM 156 CA GLU A 12 8.018 16.816 7.152 1.00 0.00 C ATOM 157 C GLU A 12 7.564 15.754 6.156 1.00 0.00 C ATOM 158 O GLU A 12 8.368 15.015 5.588 1.00 0.00 O ATOM 159 CB GLU A 12 8.238 18.148 6.430 1.00 0.00 C ATOM 160 CG GLU A 12 8.189 19.355 7.351 1.00 0.00 C ATOM 161 CD GLU A 12 7.777 20.623 6.629 1.00 0.00 C ATOM 162 OE1 GLU A 12 8.487 21.026 5.684 1.00 0.00 O ATOM 163 OE2 GLU A 12 6.743 21.212 7.009 1.00 0.00 O ATOM 0 H GLU A 12 10.089 16.846 7.485 1.00 0.00 H new ATOM 0 HA GLU A 12 7.238 16.942 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.205 18.124 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.479 18.261 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.488 19.160 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.169 19.502 7.804 1.00 0.00 H new ATOM 170 N PRO A 13 6.243 15.674 5.938 1.00 0.00 N ATOM 171 CA PRO A 13 5.650 14.706 5.011 1.00 0.00 C ATOM 172 C PRO A 13 5.969 15.027 3.555 1.00 0.00 C ATOM 173 O PRO A 13 6.194 16.179 3.184 1.00 0.00 O ATOM 174 CB PRO A 13 4.147 14.839 5.271 1.00 0.00 C ATOM 175 CG PRO A 13 3.976 16.221 5.801 1.00 0.00 C ATOM 176 CD PRO A 13 5.226 16.523 6.581 1.00 0.00 C ATOM 0 HA PRO A 13 6.036 13.700 5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.572 14.692 4.357 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.802 14.094 5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.840 16.936 4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.093 16.289 6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.490 17.579 6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.109 16.280 7.637 1.00 0.00 H new ATOM 184 N PRO A 14 5.989 13.987 2.709 1.00 0.00 N ATOM 185 CA PRO A 14 6.279 14.134 1.279 1.00 0.00 C ATOM 186 C PRO A 14 5.157 14.847 0.531 1.00 0.00 C ATOM 187 O PRO A 14 4.125 15.183 1.112 1.00 0.00 O ATOM 188 CB PRO A 14 6.412 12.689 0.793 1.00 0.00 C ATOM 189 CG PRO A 14 5.603 11.890 1.756 1.00 0.00 C ATOM 190 CD PRO A 14 5.730 12.586 3.082 1.00 0.00 C ATOM 0 HA PRO A 14 7.168 14.740 1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.039 12.578 -0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.453 12.367 0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.561 11.838 1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.969 10.865 1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.821 12.490 3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.544 12.172 3.677 1.00 0.00 H new ATOM 198 N VAL A 15 5.366 15.075 -0.762 1.00 0.00 N ATOM 199 CA VAL A 15 4.372 15.746 -1.590 1.00 0.00 C ATOM 200 C VAL A 15 2.999 15.102 -1.432 1.00 0.00 C ATOM 201 O VAL A 15 1.999 15.789 -1.226 1.00 0.00 O ATOM 202 CB VAL A 15 4.771 15.721 -3.077 1.00 0.00 C ATOM 203 CG1 VAL A 15 4.942 14.289 -3.560 1.00 0.00 C ATOM 204 CG2 VAL A 15 3.738 16.456 -3.918 1.00 0.00 C ATOM 0 H VAL A 15 6.215 14.805 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 15 4.325 16.781 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 15 5.727 16.233 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.224 14.291 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.722 13.799 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.003 13.749 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.036 16.428 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.767 15.975 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.670 17.492 -3.587 1.00 0.00 H new ATOM 214 N TYR A 16 2.959 13.778 -1.529 1.00 0.00 N ATOM 215 CA TYR A 16 1.709 13.039 -1.399 1.00 0.00 C ATOM 216 C TYR A 16 0.939 13.486 -0.160 1.00 0.00 C ATOM 217 O TYR A 16 1.530 13.907 0.833 1.00 0.00 O ATOM 218 CB TYR A 16 1.984 11.536 -1.328 1.00 0.00 C ATOM 219 CG TYR A 16 3.187 11.103 -2.136 1.00 0.00 C ATOM 220 CD1 TYR A 16 3.104 10.947 -3.514 1.00 0.00 C ATOM 221 CD2 TYR A 16 4.407 10.849 -1.520 1.00 0.00 C ATOM 222 CE1 TYR A 16 4.200 10.550 -4.255 1.00 0.00 C ATOM 223 CE2 TYR A 16 5.508 10.453 -2.254 1.00 0.00 C ATOM 224 CZ TYR A 16 5.400 10.305 -3.621 1.00 0.00 C ATOM 225 OH TYR A 16 6.494 9.910 -4.356 1.00 0.00 O ATOM 0 H TYR A 16 3.778 13.194 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 16 1.100 13.248 -2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.134 11.251 -0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.105 10.997 -1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.166 11.139 -4.014 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.495 10.963 -0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.118 10.432 -5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.449 10.260 -1.760 1.00 0.00 H new ATOM 0 HH TYR A 16 6.957 9.184 -3.889 1.00 0.00 H new ATOM 235 N ALA A 17 -0.385 13.389 -0.227 1.00 0.00 N ATOM 236 CA ALA A 17 -1.237 13.779 0.889 1.00 0.00 C ATOM 237 C ALA A 17 -1.387 12.639 1.890 1.00 0.00 C ATOM 238 O ALA A 17 -1.028 11.498 1.604 1.00 0.00 O ATOM 239 CB ALA A 17 -2.602 14.221 0.381 1.00 0.00 C ATOM 0 H ALA A 17 -0.890 13.044 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.763 14.616 1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.228 14.510 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.483 15.072 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.074 13.399 -0.157 1.00 0.00 H new ATOM 245 N ALA A 18 -1.919 12.957 3.066 1.00 0.00 N ATOM 246 CA ALA A 18 -2.117 11.958 4.109 1.00 0.00 C ATOM 247 C ALA A 18 -3.416 11.189 3.894 1.00 0.00 C ATOM 248 O ALA A 18 -4.142 10.899 4.843 1.00 0.00 O ATOM 249 CB ALA A 18 -2.115 12.619 5.480 1.00 0.00 C ATOM 0 H ALA A 18 -2.220 13.898 3.320 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.292 11.248 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.264 11.861 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.160 13.118 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.920 13.352 5.532 1.00 0.00 H new ATOM 255 N GLY A 19 -3.704 10.863 2.637 1.00 0.00 N ATOM 256 CA GLY A 19 -4.916 10.131 2.319 1.00 0.00 C ATOM 257 C GLY A 19 -5.245 10.168 0.840 1.00 0.00 C ATOM 258 O GLY A 19 -6.386 10.425 0.458 1.00 0.00 O ATOM 0 H GLY A 19 -3.119 11.093 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.805 9.094 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.749 10.550 2.884 1.00 0.00 H new ATOM 262 N SER A 20 -4.243 9.912 0.006 1.00 0.00 N ATOM 263 CA SER A 20 -4.430 9.923 -1.440 1.00 0.00 C ATOM 264 C SER A 20 -3.965 8.608 -2.058 1.00 0.00 C ATOM 265 O SER A 20 -3.353 7.776 -1.388 1.00 0.00 O ATOM 266 CB SER A 20 -3.666 11.092 -2.066 1.00 0.00 C ATOM 267 OG SER A 20 -4.274 12.330 -1.742 1.00 0.00 O ATOM 0 H SER A 20 -3.293 9.694 0.307 1.00 0.00 H new ATOM 0 HA SER A 20 -5.494 10.044 -1.643 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.634 11.087 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.634 10.971 -3.149 1.00 0.00 H new ATOM 0 HG SER A 20 -3.867 13.044 -2.276 1.00 0.00 H new ATOM 273 N LEU A 21 -4.261 8.428 -3.341 1.00 0.00 N ATOM 274 CA LEU A 21 -3.874 7.214 -4.052 1.00 0.00 C ATOM 275 C LEU A 21 -2.373 7.198 -4.325 1.00 0.00 C ATOM 276 O LEU A 21 -1.709 6.181 -4.128 1.00 0.00 O ATOM 277 CB LEU A 21 -4.645 7.102 -5.368 1.00 0.00 C ATOM 278 CG LEU A 21 -6.018 6.435 -5.287 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.803 6.672 -6.568 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.872 4.945 -5.017 1.00 0.00 C ATOM 0 H LEU A 21 -4.767 9.107 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.119 6.359 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.774 8.104 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.034 6.544 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.569 6.882 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.778 6.190 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.939 7.743 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.256 6.253 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.859 4.487 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.302 4.483 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.350 4.796 -4.072 1.00 0.00 H new ATOM 292 N GLU A 22 -1.847 8.331 -4.777 1.00 0.00 N ATOM 293 CA GLU A 22 -0.425 8.447 -5.076 1.00 0.00 C ATOM 294 C GLU A 22 0.414 7.751 -4.008 1.00 0.00 C ATOM 295 O GLU A 22 1.397 7.078 -4.317 1.00 0.00 O ATOM 296 CB GLU A 22 -0.020 9.919 -5.179 1.00 0.00 C ATOM 297 CG GLU A 22 -0.669 10.649 -6.343 1.00 0.00 C ATOM 298 CD GLU A 22 -2.089 11.085 -6.039 1.00 0.00 C ATOM 299 OE1 GLU A 22 -2.264 11.989 -5.195 1.00 0.00 O ATOM 300 OE2 GLU A 22 -3.024 10.523 -6.646 1.00 0.00 O ATOM 0 H GLU A 22 -2.384 9.182 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.241 7.960 -6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.284 10.426 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.063 9.983 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.071 11.524 -6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.672 9.999 -7.218 1.00 0.00 H new ATOM 307 N GLU A 23 0.017 7.918 -2.750 1.00 0.00 N ATOM 308 CA GLU A 23 0.733 7.307 -1.636 1.00 0.00 C ATOM 309 C GLU A 23 0.788 5.790 -1.792 1.00 0.00 C ATOM 310 O GLU A 23 1.856 5.185 -1.696 1.00 0.00 O ATOM 311 CB GLU A 23 0.062 7.670 -0.310 1.00 0.00 C ATOM 312 CG GLU A 23 0.731 7.043 0.902 1.00 0.00 C ATOM 313 CD GLU A 23 2.192 7.428 1.027 1.00 0.00 C ATOM 314 OE1 GLU A 23 2.473 8.533 1.537 1.00 0.00 O ATOM 315 OE2 GLU A 23 3.055 6.625 0.613 1.00 0.00 O ATOM 0 H GLU A 23 -0.796 8.471 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 23 1.753 7.693 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.065 8.754 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.981 7.355 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.200 7.349 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.650 5.958 0.836 1.00 0.00 H new ATOM 322 N GLN A 24 -0.369 5.183 -2.032 1.00 0.00 N ATOM 323 CA GLN A 24 -0.453 3.737 -2.199 1.00 0.00 C ATOM 324 C GLN A 24 0.460 3.266 -3.327 1.00 0.00 C ATOM 325 O GLN A 24 1.303 2.391 -3.131 1.00 0.00 O ATOM 326 CB GLN A 24 -1.896 3.318 -2.486 1.00 0.00 C ATOM 327 CG GLN A 24 -2.871 3.704 -1.386 1.00 0.00 C ATOM 328 CD GLN A 24 -4.049 2.754 -1.290 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.035 1.806 -0.504 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.078 3.003 -2.092 1.00 0.00 N ATOM 0 H GLN A 24 -1.261 5.670 -2.115 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.125 3.269 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.219 3.773 -3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.931 2.238 -2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.346 3.723 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.238 4.714 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.048 3.800 -2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.899 2.397 -2.072 1.00 0.00 H new ATOM 339 N TRP A 25 0.285 3.851 -4.506 1.00 0.00 N ATOM 340 CA TRP A 25 1.093 3.491 -5.665 1.00 0.00 C ATOM 341 C TRP A 25 2.578 3.673 -5.371 1.00 0.00 C ATOM 342 O TRP A 25 3.413 2.904 -5.848 1.00 0.00 O ATOM 343 CB TRP A 25 0.693 4.337 -6.875 1.00 0.00 C ATOM 344 CG TRP A 25 -0.774 4.281 -7.180 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.614 3.224 -6.974 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.572 5.326 -7.747 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.886 3.549 -7.379 1.00 0.00 N ATOM 348 CE2 TRP A 25 -2.887 4.832 -7.857 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.304 6.630 -8.172 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -3.928 5.599 -8.374 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.339 7.389 -8.685 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.637 6.872 -8.782 1.00 0.00 C ATOM 0 H TRP A 25 -0.409 4.577 -4.685 1.00 0.00 H new ATOM 0 HA TRP A 25 0.912 2.440 -5.890 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.980 5.373 -6.696 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.251 3.998 -7.747 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.321 2.273 -6.555 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.698 2.934 -7.331 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.306 7.037 -8.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.930 5.203 -8.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.143 8.398 -9.017 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.424 7.491 -9.187 1.00 0.00 H new ATOM 363 N TYR A 26 2.901 4.693 -4.584 1.00 0.00 N ATOM 364 CA TYR A 26 4.286 4.976 -4.229 1.00 0.00 C ATOM 365 C TYR A 26 4.913 3.794 -3.497 1.00 0.00 C ATOM 366 O TYR A 26 5.970 3.296 -3.888 1.00 0.00 O ATOM 367 CB TYR A 26 4.365 6.230 -3.357 1.00 0.00 C ATOM 368 CG TYR A 26 5.773 6.588 -2.937 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.692 7.073 -3.860 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.184 6.441 -1.618 1.00 0.00 C ATOM 371 CE1 TYR A 26 7.979 7.400 -3.481 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.469 6.767 -1.230 1.00 0.00 C ATOM 373 CZ TYR A 26 8.363 7.246 -2.165 1.00 0.00 C ATOM 374 OH TYR A 26 9.644 7.571 -1.782 1.00 0.00 O ATOM 0 H TYR A 26 2.222 5.338 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 26 4.843 5.147 -5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.933 7.069 -3.902 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.756 6.081 -2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.395 7.196 -4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.487 6.065 -0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.681 7.774 -4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.772 6.648 -0.200 1.00 0.00 H new ATOM 0 HH TYR A 26 9.751 7.405 -0.822 1.00 0.00 H new ATOM 384 N LEU A 27 4.254 3.349 -2.433 1.00 0.00 N ATOM 385 CA LEU A 27 4.745 2.224 -1.644 1.00 0.00 C ATOM 386 C LEU A 27 5.070 1.032 -2.539 1.00 0.00 C ATOM 387 O LEU A 27 6.205 0.557 -2.569 1.00 0.00 O ATOM 388 CB LEU A 27 3.709 1.820 -0.595 1.00 0.00 C ATOM 389 CG LEU A 27 3.494 2.809 0.552 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.261 2.432 1.358 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.724 2.862 1.447 1.00 0.00 C ATOM 0 H LEU A 27 3.378 3.750 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 27 5.659 2.537 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.754 1.664 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.006 0.861 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 27 3.335 3.800 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.124 3.147 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.384 2.446 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.389 1.432 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.554 3.570 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.914 1.873 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.586 3.181 0.862 1.00 0.00 H new ATOM 403 N GLU A 28 4.066 0.555 -3.269 1.00 0.00 N ATOM 404 CA GLU A 28 4.246 -0.580 -4.166 1.00 0.00 C ATOM 405 C GLU A 28 5.578 -0.484 -4.905 1.00 0.00 C ATOM 406 O GLU A 28 6.135 -1.494 -5.335 1.00 0.00 O ATOM 407 CB GLU A 28 3.096 -0.651 -5.172 1.00 0.00 C ATOM 408 CG GLU A 28 2.894 -2.034 -5.769 1.00 0.00 C ATOM 409 CD GLU A 28 2.091 -2.948 -4.863 1.00 0.00 C ATOM 410 OE1 GLU A 28 2.098 -2.720 -3.635 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.458 -3.891 -5.382 1.00 0.00 O ATOM 0 H GLU A 28 3.120 0.937 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 28 4.249 -1.489 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.175 -0.339 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.284 0.059 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.385 -1.941 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.866 -2.486 -5.966 1.00 0.00 H new ATOM 418 N ILE A 29 6.081 0.737 -5.048 1.00 0.00 N ATOM 419 CA ILE A 29 7.347 0.966 -5.734 1.00 0.00 C ATOM 420 C ILE A 29 8.519 0.897 -4.762 1.00 0.00 C ATOM 421 O ILE A 29 9.534 0.257 -5.040 1.00 0.00 O ATOM 422 CB ILE A 29 7.363 2.332 -6.445 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.149 2.467 -7.367 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.654 2.505 -7.232 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.815 3.899 -7.720 1.00 0.00 C ATOM 0 H ILE A 29 5.632 1.583 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 29 7.450 0.177 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 29 7.312 3.117 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.336 1.909 -8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.285 2.009 -6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.650 3.475 -7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.505 2.449 -6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.733 1.715 -7.979 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.944 3.919 -8.376 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.596 4.457 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.663 4.355 -8.230 1.00 0.00 H new ATOM 437 N VAL A 30 8.373 1.560 -3.619 1.00 0.00 N ATOM 438 CA VAL A 30 9.419 1.572 -2.603 1.00 0.00 C ATOM 439 C VAL A 30 9.555 0.207 -1.939 1.00 0.00 C ATOM 440 O VAL A 30 10.535 -0.061 -1.243 1.00 0.00 O ATOM 441 CB VAL A 30 9.137 2.631 -1.520 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.593 3.905 -2.148 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.171 2.085 -0.480 1.00 0.00 C ATOM 0 H VAL A 30 7.541 2.096 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 30 10.351 1.821 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 30 10.075 2.873 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.400 4.641 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.324 4.305 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.665 3.683 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.983 2.846 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.232 1.814 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.605 1.203 -0.008 1.00 0.00 H new ATOM 453 N ASP A 31 8.567 -0.654 -2.159 1.00 0.00 N ATOM 454 CA ASP A 31 8.578 -1.993 -1.583 1.00 0.00 C ATOM 455 C ASP A 31 8.944 -3.035 -2.636 1.00 0.00 C ATOM 456 O ASP A 31 9.591 -4.037 -2.334 1.00 0.00 O ATOM 457 CB ASP A 31 7.212 -2.322 -0.976 1.00 0.00 C ATOM 458 CG ASP A 31 7.306 -3.337 0.146 1.00 0.00 C ATOM 459 OD1 ASP A 31 7.903 -3.010 1.193 1.00 0.00 O ATOM 460 OD2 ASP A 31 6.782 -4.457 -0.023 1.00 0.00 O ATOM 0 H ASP A 31 7.749 -0.448 -2.732 1.00 0.00 H new ATOM 0 HA ASP A 31 9.332 -2.017 -0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.756 -1.407 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.554 -2.707 -1.756 1.00 0.00 H new ATOM 465 N LYS A 32 8.524 -2.791 -3.873 1.00 0.00 N ATOM 466 CA LYS A 32 8.807 -3.706 -4.972 1.00 0.00 C ATOM 467 C LYS A 32 9.728 -3.055 -5.999 1.00 0.00 C ATOM 468 O LYS A 32 10.691 -3.666 -6.459 1.00 0.00 O ATOM 469 CB LYS A 32 7.505 -4.145 -5.645 1.00 0.00 C ATOM 470 CG LYS A 32 6.388 -4.456 -4.664 1.00 0.00 C ATOM 471 CD LYS A 32 6.692 -5.702 -3.849 1.00 0.00 C ATOM 472 CE LYS A 32 5.951 -5.693 -2.521 1.00 0.00 C ATOM 473 NZ LYS A 32 4.612 -6.335 -2.629 1.00 0.00 N ATOM 0 H LYS A 32 7.986 -1.966 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 32 9.310 -4.582 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.173 -3.359 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.700 -5.029 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.244 -3.608 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.453 -4.595 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.411 -6.588 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.765 -5.767 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.545 -6.215 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.834 -4.665 -2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.139 -6.309 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.036 -5.822 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.724 -7.323 -2.933 1.00 0.00 H new ATOM 487 N GLY A 33 9.426 -1.809 -6.352 1.00 0.00 N ATOM 488 CA GLY A 33 10.238 -1.096 -7.321 1.00 0.00 C ATOM 489 C GLY A 33 9.408 -0.470 -8.424 1.00 0.00 C ATOM 490 O GLY A 33 9.881 0.408 -9.145 1.00 0.00 O ATOM 0 H GLY A 33 8.634 -1.281 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.806 -0.318 -6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.961 -1.783 -7.760 1.00 0.00 H new ATOM 494 N SER A 34 8.166 -0.925 -8.559 1.00 0.00 N ATOM 495 CA SER A 34 7.270 -0.408 -9.586 1.00 0.00 C ATOM 496 C SER A 34 5.811 -0.590 -9.177 1.00 0.00 C ATOM 497 O SER A 34 5.509 -1.289 -8.209 1.00 0.00 O ATOM 498 CB SER A 34 7.528 -1.113 -10.920 1.00 0.00 C ATOM 499 OG SER A 34 7.240 -2.497 -10.830 1.00 0.00 O ATOM 0 H SER A 34 7.758 -1.651 -7.970 1.00 0.00 H new ATOM 0 HA SER A 34 7.467 0.658 -9.701 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.914 -0.661 -11.699 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.568 -0.973 -11.213 1.00 0.00 H new ATOM 0 HG SER A 34 7.411 -2.924 -11.695 1.00 0.00 H new ATOM 505 N VAL A 35 4.911 0.044 -9.921 1.00 0.00 N ATOM 506 CA VAL A 35 3.484 -0.048 -9.637 1.00 0.00 C ATOM 507 C VAL A 35 2.726 -0.645 -10.818 1.00 0.00 C ATOM 508 O VAL A 35 3.131 -0.491 -11.970 1.00 0.00 O ATOM 509 CB VAL A 35 2.888 1.333 -9.304 1.00 0.00 C ATOM 510 CG1 VAL A 35 2.899 2.230 -10.532 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.477 1.185 -8.754 1.00 0.00 C ATOM 0 H VAL A 35 5.145 0.627 -10.725 1.00 0.00 H new ATOM 0 HA VAL A 35 3.375 -0.701 -8.771 1.00 0.00 H new ATOM 0 HB VAL A 35 3.505 1.801 -8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.474 3.201 -10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.924 2.362 -10.877 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.306 1.771 -11.323 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.071 2.170 -8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.846 0.697 -9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.502 0.582 -7.846 1.00 0.00 H new ATOM 521 N SER A 36 1.623 -1.325 -10.523 1.00 0.00 N ATOM 522 CA SER A 36 0.809 -1.949 -11.560 1.00 0.00 C ATOM 523 C SER A 36 -0.417 -1.097 -11.874 1.00 0.00 C ATOM 524 O SER A 36 -0.753 -0.174 -11.131 1.00 0.00 O ATOM 525 CB SER A 36 0.373 -3.349 -11.124 1.00 0.00 C ATOM 526 OG SER A 36 -0.462 -3.950 -12.098 1.00 0.00 O ATOM 0 H SER A 36 1.272 -1.458 -9.574 1.00 0.00 H new ATOM 0 HA SER A 36 1.415 -2.030 -12.462 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.252 -3.972 -10.960 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.157 -3.289 -10.173 1.00 0.00 H new ATOM 0 HG SER A 36 -0.725 -4.844 -11.796 1.00 0.00 H new ATOM 532 N CYS A 37 -1.083 -1.413 -12.980 1.00 0.00 N ATOM 533 CA CYS A 37 -2.272 -0.679 -13.394 1.00 0.00 C ATOM 534 C CYS A 37 -3.479 -1.078 -12.551 1.00 0.00 C ATOM 535 O CYS A 37 -3.976 -2.202 -12.625 1.00 0.00 O ATOM 536 CB CYS A 37 -2.563 -0.932 -14.874 1.00 0.00 C ATOM 537 SG CYS A 37 -3.939 0.058 -15.541 1.00 0.00 S ATOM 0 H CYS A 37 -0.818 -2.174 -13.606 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.083 0.384 -13.244 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.663 -0.720 -15.452 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.789 -1.989 -15.013 1.00 0.00 H new ATOM 542 N PRO A 38 -3.964 -0.135 -11.729 1.00 0.00 N ATOM 543 CA PRO A 38 -5.120 -0.364 -10.856 1.00 0.00 C ATOM 544 C PRO A 38 -6.422 -0.490 -11.639 1.00 0.00 C ATOM 545 O PRO A 38 -7.491 -0.682 -11.060 1.00 0.00 O ATOM 546 CB PRO A 38 -5.147 0.883 -9.969 1.00 0.00 C ATOM 547 CG PRO A 38 -4.470 1.936 -10.776 1.00 0.00 C ATOM 548 CD PRO A 38 -3.422 1.227 -11.588 1.00 0.00 C ATOM 0 HA PRO A 38 -5.032 -1.297 -10.300 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.169 1.170 -9.721 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.627 0.710 -9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.182 2.450 -11.422 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.020 2.692 -10.132 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.274 1.703 -12.557 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.456 1.225 -11.083 1.00 0.00 H new ATOM 556 N THR A 39 -6.325 -0.381 -12.961 1.00 0.00 N ATOM 557 CA THR A 39 -7.495 -0.482 -13.824 1.00 0.00 C ATOM 558 C THR A 39 -7.589 -1.862 -14.464 1.00 0.00 C ATOM 559 O THR A 39 -8.622 -2.527 -14.383 1.00 0.00 O ATOM 560 CB THR A 39 -7.469 0.586 -14.933 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.226 1.878 -14.365 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.783 0.603 -15.700 1.00 0.00 C ATOM 0 H THR A 39 -5.448 -0.223 -13.457 1.00 0.00 H new ATOM 0 HA THR A 39 -8.368 -0.318 -13.193 1.00 0.00 H new ATOM 0 HB THR A 39 -6.665 0.337 -15.626 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.209 2.551 -15.077 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.740 1.365 -16.478 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.950 -0.372 -16.157 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.601 0.828 -15.016 1.00 0.00 H new ATOM 570 N CYS A 40 -6.503 -2.288 -15.101 1.00 0.00 N ATOM 571 CA CYS A 40 -6.462 -3.590 -15.756 1.00 0.00 C ATOM 572 C CYS A 40 -5.589 -4.566 -14.973 1.00 0.00 C ATOM 573 O CYS A 40 -5.758 -5.781 -15.071 1.00 0.00 O ATOM 574 CB CYS A 40 -5.933 -3.449 -17.185 1.00 0.00 C ATOM 575 SG CYS A 40 -4.159 -3.048 -17.285 1.00 0.00 S ATOM 0 H CYS A 40 -5.640 -1.750 -15.177 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.478 -3.984 -15.789 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.115 -4.380 -17.722 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.500 -2.671 -17.696 1.00 0.00 H new ATOM 580 N GLN A 41 -4.655 -4.024 -14.197 1.00 0.00 N ATOM 581 CA GLN A 41 -3.756 -4.847 -13.397 1.00 0.00 C ATOM 582 C GLN A 41 -3.025 -5.862 -14.271 1.00 0.00 C ATOM 583 O GLN A 41 -2.853 -7.017 -13.885 1.00 0.00 O ATOM 584 CB GLN A 41 -4.534 -5.570 -12.297 1.00 0.00 C ATOM 585 CG GLN A 41 -5.288 -4.632 -11.368 1.00 0.00 C ATOM 586 CD GLN A 41 -5.797 -5.329 -10.122 1.00 0.00 C ATOM 587 OE1 GLN A 41 -6.455 -6.367 -10.203 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.496 -4.761 -8.960 1.00 0.00 N ATOM 0 H GLN A 41 -4.502 -3.020 -14.106 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.017 -4.191 -12.937 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.242 -6.259 -12.757 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.841 -6.171 -11.709 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.633 -3.810 -11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.130 -4.195 -11.905 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.948 -3.901 -8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.813 -5.185 -8.088 1.00 0.00 H new ATOM 597 N ALA A 42 -2.598 -5.421 -15.450 1.00 0.00 N ATOM 598 CA ALA A 42 -1.885 -6.291 -16.377 1.00 0.00 C ATOM 599 C ALA A 42 -0.426 -5.871 -16.512 1.00 0.00 C ATOM 600 O ALA A 42 0.460 -6.709 -16.681 1.00 0.00 O ATOM 601 CB ALA A 42 -2.566 -6.283 -17.738 1.00 0.00 C ATOM 0 H ALA A 42 -2.733 -4.467 -15.785 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.909 -7.304 -15.976 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.023 -6.937 -18.420 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.591 -6.638 -17.634 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.572 -5.268 -18.136 1.00 0.00 H new ATOM 607 N VAL A 43 -0.181 -4.566 -16.437 1.00 0.00 N ATOM 608 CA VAL A 43 1.172 -4.034 -16.551 1.00 0.00 C ATOM 609 C VAL A 43 1.446 -2.994 -15.470 1.00 0.00 C ATOM 610 O VAL A 43 0.555 -2.632 -14.703 1.00 0.00 O ATOM 611 CB VAL A 43 1.411 -3.398 -17.933 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.307 -4.447 -19.029 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.426 -2.264 -18.174 1.00 0.00 C ATOM 0 H VAL A 43 -0.902 -3.858 -16.298 1.00 0.00 H new ATOM 0 HA VAL A 43 1.854 -4.874 -16.424 1.00 0.00 H new ATOM 0 HB VAL A 43 2.419 -2.984 -17.954 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.479 -3.979 -19.998 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.055 -5.222 -18.863 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.313 -4.893 -19.013 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.609 -1.826 -19.155 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.592 -2.652 -18.134 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.554 -1.501 -17.406 1.00 0.00 H new ATOM 623 N GLY A 44 2.686 -2.517 -15.416 1.00 0.00 N ATOM 624 CA GLY A 44 3.056 -1.523 -14.426 1.00 0.00 C ATOM 625 C GLY A 44 4.097 -0.550 -14.943 1.00 0.00 C ATOM 626 O GLY A 44 4.592 -0.695 -16.061 1.00 0.00 O ATOM 0 H GLY A 44 3.441 -2.801 -16.040 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.167 -0.971 -14.120 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.441 -2.025 -13.538 1.00 0.00 H new ATOM 630 N ARG A 45 4.430 0.446 -14.128 1.00 0.00 N ATOM 631 CA ARG A 45 5.417 1.449 -14.510 1.00 0.00 C ATOM 632 C ARG A 45 6.431 1.667 -13.391 1.00 0.00 C ATOM 633 O ARG A 45 6.124 1.478 -12.214 1.00 0.00 O ATOM 634 CB ARG A 45 4.727 2.770 -14.852 1.00 0.00 C ATOM 635 CG ARG A 45 3.882 2.707 -16.114 1.00 0.00 C ATOM 636 CD ARG A 45 4.748 2.651 -17.362 1.00 0.00 C ATOM 637 NE ARG A 45 4.049 2.033 -18.486 1.00 0.00 N ATOM 638 CZ ARG A 45 4.485 2.083 -19.740 1.00 0.00 C ATOM 639 NH1 ARG A 45 5.613 2.718 -20.028 1.00 0.00 N ATOM 640 NH2 ARG A 45 3.793 1.497 -20.708 1.00 0.00 N ATOM 0 H ARG A 45 4.031 0.580 -13.199 1.00 0.00 H new ATOM 0 HA ARG A 45 5.946 1.085 -15.391 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.094 3.067 -14.016 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.484 3.546 -14.970 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.237 1.829 -16.078 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.230 3.580 -16.161 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.054 3.660 -17.636 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.657 2.089 -17.147 1.00 0.00 H new ATOM 0 HE ARG A 45 3.178 1.536 -18.298 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.148 3.169 -19.286 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.946 2.755 -20.991 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.925 1.007 -20.490 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.129 1.536 -21.670 1.00 0.00 H new ATOM 654 N LYS A 46 7.642 2.066 -13.767 1.00 0.00 N ATOM 655 CA LYS A 46 8.702 2.311 -12.796 1.00 0.00 C ATOM 656 C LYS A 46 8.185 3.134 -11.621 1.00 0.00 C ATOM 657 O LYS A 46 8.333 2.744 -10.463 1.00 0.00 O ATOM 658 CB LYS A 46 9.874 3.035 -13.463 1.00 0.00 C ATOM 659 CG LYS A 46 10.878 2.098 -14.112 1.00 0.00 C ATOM 660 CD LYS A 46 12.259 2.727 -14.189 1.00 0.00 C ATOM 661 CE LYS A 46 12.375 3.672 -15.375 1.00 0.00 C ATOM 662 NZ LYS A 46 13.572 4.552 -15.268 1.00 0.00 N ATOM 0 H LYS A 46 7.913 2.226 -14.737 1.00 0.00 H new ATOM 0 HA LYS A 46 9.044 1.348 -12.418 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.486 3.718 -14.219 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.386 3.643 -12.717 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.931 1.170 -13.543 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.539 1.838 -15.115 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.464 3.271 -13.267 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.013 1.944 -14.271 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.431 3.093 -16.297 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.477 4.286 -15.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.615 5.181 -16.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.506 5.123 -14.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.431 3.967 -15.233 1.00 0.00 H new ATOM 676 N THR A 47 7.576 4.276 -11.927 1.00 0.00 N ATOM 677 CA THR A 47 7.036 5.154 -10.896 1.00 0.00 C ATOM 678 C THR A 47 5.593 5.539 -11.202 1.00 0.00 C ATOM 679 O THR A 47 5.043 5.152 -12.234 1.00 0.00 O ATOM 680 CB THR A 47 7.878 6.436 -10.753 1.00 0.00 C ATOM 681 OG1 THR A 47 8.469 6.777 -12.012 1.00 0.00 O ATOM 682 CG2 THR A 47 8.968 6.253 -9.708 1.00 0.00 C ATOM 0 H THR A 47 7.445 4.614 -12.880 1.00 0.00 H new ATOM 0 HA THR A 47 7.070 4.599 -9.958 1.00 0.00 H new ATOM 0 HB THR A 47 7.220 7.243 -10.431 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.001 7.594 -11.913 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.550 7.171 -9.624 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.513 6.022 -8.745 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.623 5.434 -10.005 1.00 0.00 H new ATOM 690 N ILE A 48 4.985 6.302 -10.301 1.00 0.00 N ATOM 691 CA ILE A 48 3.606 6.741 -10.476 1.00 0.00 C ATOM 692 C ILE A 48 3.437 7.514 -11.780 1.00 0.00 C ATOM 693 O ILE A 48 2.583 7.184 -12.602 1.00 0.00 O ATOM 694 CB ILE A 48 3.143 7.626 -9.304 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.308 6.880 -7.978 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.696 8.052 -9.502 1.00 0.00 C ATOM 697 CD1 ILE A 48 2.826 7.667 -6.779 1.00 0.00 C ATOM 0 H ILE A 48 5.426 6.630 -9.441 1.00 0.00 H new ATOM 0 HA ILE A 48 2.990 5.842 -10.506 1.00 0.00 H new ATOM 0 HB ILE A 48 3.764 8.521 -9.276 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.760 5.939 -8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.360 6.630 -7.839 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.383 8.677 -8.666 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.607 8.616 -10.430 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.060 7.168 -9.552 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.973 7.078 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.391 8.596 -6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.766 7.895 -6.895 1.00 0.00 H new ATOM 709 N GLU A 49 4.258 8.543 -11.962 1.00 0.00 N ATOM 710 CA GLU A 49 4.200 9.363 -13.167 1.00 0.00 C ATOM 711 C GLU A 49 3.915 8.504 -14.395 1.00 0.00 C ATOM 712 O GLU A 49 3.022 8.808 -15.186 1.00 0.00 O ATOM 713 CB GLU A 49 5.513 10.125 -13.356 1.00 0.00 C ATOM 714 CG GLU A 49 5.774 11.165 -12.280 1.00 0.00 C ATOM 715 CD GLU A 49 7.035 11.966 -12.537 1.00 0.00 C ATOM 716 OE1 GLU A 49 8.100 11.346 -12.742 1.00 0.00 O ATOM 717 OE2 GLU A 49 6.958 13.213 -12.532 1.00 0.00 O ATOM 0 H GLU A 49 4.971 8.829 -11.291 1.00 0.00 H new ATOM 0 HA GLU A 49 3.387 10.080 -13.050 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.338 9.413 -13.369 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.501 10.616 -14.329 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.923 11.843 -12.221 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.854 10.669 -11.313 1.00 0.00 H new ATOM 724 N GLY A 50 4.683 7.429 -14.550 1.00 0.00 N ATOM 725 CA GLY A 50 4.499 6.543 -15.684 1.00 0.00 C ATOM 726 C GLY A 50 3.107 5.944 -15.732 1.00 0.00 C ATOM 727 O GLY A 50 2.381 6.120 -16.712 1.00 0.00 O ATOM 0 H GLY A 50 5.429 7.157 -13.910 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.686 7.094 -16.606 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.235 5.740 -15.637 1.00 0.00 H new ATOM 731 N LEU A 51 2.734 5.233 -14.674 1.00 0.00 N ATOM 732 CA LEU A 51 1.420 4.604 -14.600 1.00 0.00 C ATOM 733 C LEU A 51 0.321 5.591 -14.983 1.00 0.00 C ATOM 734 O LEU A 51 -0.499 5.315 -15.858 1.00 0.00 O ATOM 735 CB LEU A 51 1.169 4.065 -13.191 1.00 0.00 C ATOM 736 CG LEU A 51 -0.288 3.768 -12.835 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.660 2.352 -13.246 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.526 3.974 -11.346 1.00 0.00 C ATOM 0 H LEU A 51 3.323 5.078 -13.856 1.00 0.00 H new ATOM 0 HA LEU A 51 1.401 3.775 -15.308 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.746 3.149 -13.066 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.557 4.787 -12.473 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.925 4.462 -13.383 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.700 2.159 -12.985 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.529 2.239 -14.322 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.017 1.642 -12.726 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.568 3.758 -11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.120 3.305 -10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.301 5.007 -11.081 1.00 0.00 H new ATOM 750 N LYS A 52 0.313 6.744 -14.322 1.00 0.00 N ATOM 751 CA LYS A 52 -0.682 7.774 -14.594 1.00 0.00 C ATOM 752 C LYS A 52 -0.999 7.845 -16.084 1.00 0.00 C ATOM 753 O LYS A 52 -2.156 7.728 -16.490 1.00 0.00 O ATOM 754 CB LYS A 52 -0.183 9.135 -14.103 1.00 0.00 C ATOM 755 CG LYS A 52 -0.241 9.296 -12.594 1.00 0.00 C ATOM 756 CD LYS A 52 -0.385 10.755 -12.193 1.00 0.00 C ATOM 757 CE LYS A 52 -0.632 10.901 -10.700 1.00 0.00 C ATOM 758 NZ LYS A 52 -0.568 12.324 -10.264 1.00 0.00 N ATOM 0 H LYS A 52 0.985 6.988 -13.594 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.595 7.513 -14.059 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.845 9.277 -14.436 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.780 9.920 -14.567 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.081 8.725 -12.198 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.664 8.883 -12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.518 11.300 -12.468 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.210 11.205 -12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.610 10.489 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.108 10.319 -10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.742 12.382 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.374 12.711 -10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.291 12.875 -10.769 1.00 0.00 H new ATOM 772 N LYS A 53 0.035 8.035 -16.896 1.00 0.00 N ATOM 773 CA LYS A 53 -0.132 8.118 -18.342 1.00 0.00 C ATOM 774 C LYS A 53 -0.779 6.850 -18.889 1.00 0.00 C ATOM 775 O LYS A 53 -1.548 6.898 -19.849 1.00 0.00 O ATOM 776 CB LYS A 53 1.221 8.347 -19.020 1.00 0.00 C ATOM 777 CG LYS A 53 1.676 9.795 -18.997 1.00 0.00 C ATOM 778 CD LYS A 53 1.133 10.570 -20.185 1.00 0.00 C ATOM 779 CE LYS A 53 2.041 10.438 -21.399 1.00 0.00 C ATOM 780 NZ LYS A 53 1.908 9.104 -22.048 1.00 0.00 N ATOM 0 H LYS A 53 0.999 8.135 -16.577 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.788 8.961 -18.559 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.973 7.731 -18.528 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.161 8.010 -20.055 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.345 10.267 -18.072 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.765 9.835 -19.003 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.136 10.206 -20.434 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.031 11.622 -19.919 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.799 11.219 -22.120 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.077 10.593 -21.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.162 9.180 -23.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.544 8.426 -21.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.926 8.773 -21.963 1.00 0.00 H new ATOM 794 N HIS A 54 -0.464 5.716 -18.271 1.00 0.00 N ATOM 795 CA HIS A 54 -1.017 4.435 -18.695 1.00 0.00 C ATOM 796 C HIS A 54 -2.501 4.343 -18.353 1.00 0.00 C ATOM 797 O HIS A 54 -3.314 3.935 -19.181 1.00 0.00 O ATOM 798 CB HIS A 54 -0.257 3.284 -18.034 1.00 0.00 C ATOM 799 CG HIS A 54 -0.855 1.938 -18.305 1.00 0.00 C ATOM 800 ND1 HIS A 54 -0.753 1.301 -19.524 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.563 1.106 -17.506 1.00 0.00 C ATOM 802 CE1 HIS A 54 -1.374 0.137 -19.464 1.00 0.00 C ATOM 803 NE2 HIS A 54 -1.874 -0.006 -18.249 1.00 0.00 N ATOM 0 H HIS A 54 0.171 5.658 -17.475 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.907 4.360 -19.777 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.775 3.292 -18.385 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.228 3.450 -16.957 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -0.273 1.671 -20.344 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.833 1.284 -16.476 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.459 -0.576 -20.270 1.00 0.00 H new ATOM 811 N MET A 55 -2.845 4.725 -17.127 1.00 0.00 N ATOM 812 CA MET A 55 -4.231 4.687 -16.676 1.00 0.00 C ATOM 813 C MET A 55 -5.027 5.848 -17.264 1.00 0.00 C ATOM 814 O MET A 55 -6.249 5.904 -17.132 1.00 0.00 O ATOM 815 CB MET A 55 -4.295 4.731 -15.148 1.00 0.00 C ATOM 816 CG MET A 55 -3.792 6.039 -14.557 1.00 0.00 C ATOM 817 SD MET A 55 -3.598 5.962 -12.766 1.00 0.00 S ATOM 818 CE MET A 55 -4.931 4.848 -12.329 1.00 0.00 C ATOM 0 H MET A 55 -2.183 5.064 -16.429 1.00 0.00 H new ATOM 0 HA MET A 55 -4.674 3.754 -17.024 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.325 4.571 -14.831 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.705 3.908 -14.744 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.835 6.294 -15.012 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.488 6.839 -14.809 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.033 4.811 -11.244 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.862 5.205 -12.769 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.710 3.850 -12.707 1.00 0.00 H new ATOM 828 N GLU A 56 -4.325 6.773 -17.912 1.00 0.00 N ATOM 829 CA GLU A 56 -4.967 7.933 -18.518 1.00 0.00 C ATOM 830 C GLU A 56 -5.796 7.523 -19.733 1.00 0.00 C ATOM 831 O GLU A 56 -6.857 8.089 -19.992 1.00 0.00 O ATOM 832 CB GLU A 56 -3.918 8.968 -18.929 1.00 0.00 C ATOM 833 CG GLU A 56 -3.651 10.020 -17.865 1.00 0.00 C ATOM 834 CD GLU A 56 -3.234 11.353 -18.455 1.00 0.00 C ATOM 835 OE1 GLU A 56 -2.939 11.400 -19.667 1.00 0.00 O ATOM 836 OE2 GLU A 56 -3.204 12.350 -17.703 1.00 0.00 O ATOM 0 H GLU A 56 -3.312 6.741 -18.030 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.633 8.376 -17.777 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.985 8.455 -19.162 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.247 9.463 -19.843 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.549 10.158 -17.263 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.869 9.663 -17.194 1.00 0.00 H new ATOM 843 N ASN A 57 -5.302 6.537 -20.473 1.00 0.00 N ATOM 844 CA ASN A 57 -5.996 6.051 -21.661 1.00 0.00 C ATOM 845 C ASN A 57 -6.476 4.617 -21.462 1.00 0.00 C ATOM 846 O ASN A 57 -7.094 4.029 -22.350 1.00 0.00 O ATOM 847 CB ASN A 57 -5.076 6.129 -22.881 1.00 0.00 C ATOM 848 CG ASN A 57 -5.129 7.484 -23.560 1.00 0.00 C ATOM 849 OD1 ASN A 57 -6.206 8.033 -23.792 1.00 0.00 O ATOM 850 ND2 ASN A 57 -3.962 8.029 -23.883 1.00 0.00 N ATOM 0 H ASN A 57 -4.424 6.058 -20.272 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.866 6.686 -21.829 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.051 5.920 -22.574 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.359 5.356 -23.596 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.934 8.939 -24.343 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.094 7.538 -23.671 1.00 0.00 H new ATOM 857 N CYS A 58 -6.189 4.060 -20.291 1.00 0.00 N ATOM 858 CA CYS A 58 -6.592 2.695 -19.974 1.00 0.00 C ATOM 859 C CYS A 58 -7.797 2.686 -19.038 1.00 0.00 C ATOM 860 O CYS A 58 -8.049 1.704 -18.340 1.00 0.00 O ATOM 861 CB CYS A 58 -5.430 1.934 -19.332 1.00 0.00 C ATOM 862 SG CYS A 58 -5.778 0.174 -19.015 1.00 0.00 S ATOM 0 H CYS A 58 -5.679 4.533 -19.545 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.873 2.201 -20.904 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.558 2.010 -19.981 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.170 2.417 -18.390 1.00 0.00 H new ATOM 867 N LYS A 59 -8.541 3.788 -19.031 1.00 0.00 N ATOM 868 CA LYS A 59 -9.721 3.909 -18.183 1.00 0.00 C ATOM 869 C LYS A 59 -10.870 3.065 -18.727 1.00 0.00 C ATOM 870 O LYS A 59 -11.058 2.965 -19.939 1.00 0.00 O ATOM 871 CB LYS A 59 -10.154 5.373 -18.082 1.00 0.00 C ATOM 872 CG LYS A 59 -10.909 5.870 -19.303 1.00 0.00 C ATOM 873 CD LYS A 59 -10.923 7.388 -19.370 1.00 0.00 C ATOM 874 CE LYS A 59 -11.575 7.883 -20.652 1.00 0.00 C ATOM 875 NZ LYS A 59 -10.943 7.289 -21.862 1.00 0.00 N ATOM 0 H LYS A 59 -8.347 4.610 -19.603 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.463 3.543 -17.189 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.783 5.497 -17.201 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.271 5.995 -17.933 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.447 5.469 -20.205 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.933 5.497 -19.276 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.461 7.786 -18.510 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.902 7.765 -19.310 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.636 7.635 -20.638 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.502 8.969 -20.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.175 7.867 -22.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.911 7.262 -21.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.301 6.322 -22.001 1.00 0.00 H new ATOM 889 N GLN A 60 -11.634 2.461 -17.823 1.00 0.00 N ATOM 890 CA GLN A 60 -12.765 1.627 -18.213 1.00 0.00 C ATOM 891 C GLN A 60 -13.895 2.476 -18.786 1.00 0.00 C ATOM 892 O GLN A 60 -13.822 3.704 -18.788 1.00 0.00 O ATOM 893 CB GLN A 60 -13.271 0.824 -17.014 1.00 0.00 C ATOM 894 CG GLN A 60 -12.437 -0.410 -16.712 1.00 0.00 C ATOM 895 CD GLN A 60 -12.519 -0.830 -15.258 1.00 0.00 C ATOM 896 OE1 GLN A 60 -12.198 -0.054 -14.357 1.00 0.00 O ATOM 897 NE2 GLN A 60 -12.952 -2.062 -15.020 1.00 0.00 N ATOM 0 H GLN A 60 -11.491 2.533 -16.816 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.426 0.937 -18.986 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.283 1.468 -16.135 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.301 0.520 -17.200 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.772 -1.233 -17.343 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.397 -0.213 -16.971 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.207 -2.672 -15.797 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.029 -2.399 -14.060 1.00 0.00 H new ATOM 906 N GLU A 61 -14.940 1.811 -19.271 1.00 0.00 N ATOM 907 CA GLU A 61 -16.085 2.506 -19.847 1.00 0.00 C ATOM 908 C GLU A 61 -17.071 2.924 -18.760 1.00 0.00 C ATOM 909 O GLU A 61 -17.389 2.145 -17.862 1.00 0.00 O ATOM 910 CB GLU A 61 -16.788 1.614 -20.873 1.00 0.00 C ATOM 911 CG GLU A 61 -16.067 1.537 -22.208 1.00 0.00 C ATOM 912 CD GLU A 61 -16.282 0.212 -22.912 1.00 0.00 C ATOM 913 OE1 GLU A 61 -17.419 -0.304 -22.870 1.00 0.00 O ATOM 914 OE2 GLU A 61 -15.315 -0.310 -23.504 1.00 0.00 O ATOM 0 H GLU A 61 -15.017 0.794 -19.276 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.719 3.403 -20.346 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.884 0.609 -20.463 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.798 1.989 -21.036 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.414 2.346 -22.851 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.000 1.691 -22.049 1.00 0.00 H new ATOM 921 N MET A 62 -17.551 4.160 -18.850 1.00 0.00 N ATOM 922 CA MET A 62 -18.502 4.683 -17.875 1.00 0.00 C ATOM 923 C MET A 62 -19.869 4.904 -18.513 1.00 0.00 C ATOM 924 O MET A 62 -19.966 5.289 -19.678 1.00 0.00 O ATOM 925 CB MET A 62 -17.986 5.994 -17.279 1.00 0.00 C ATOM 926 CG MET A 62 -19.087 6.992 -16.960 1.00 0.00 C ATOM 927 SD MET A 62 -18.706 8.011 -15.523 1.00 0.00 S ATOM 928 CE MET A 62 -18.775 6.791 -14.214 1.00 0.00 C ATOM 0 H MET A 62 -17.298 4.818 -19.587 1.00 0.00 H new ATOM 0 HA MET A 62 -18.608 3.947 -17.078 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.430 5.775 -16.367 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.285 6.450 -17.978 1.00 0.00 H new ATOM 0 HG2 MET A 62 -19.250 7.636 -17.824 1.00 0.00 H new ATOM 0 HG3 MET A 62 -20.019 6.455 -16.783 1.00 0.00 H new ATOM 0 HE1 MET A 62 -19.040 7.279 -13.276 1.00 0.00 H new ATOM 0 HE2 MET A 62 -19.526 6.039 -14.457 1.00 0.00 H new ATOM 0 HE3 MET A 62 -17.801 6.312 -14.112 1.00 0.00 H new ATOM 938 N PHE A 63 -20.924 4.658 -17.743 1.00 0.00 N ATOM 939 CA PHE A 63 -22.286 4.829 -18.234 1.00 0.00 C ATOM 940 C PHE A 63 -22.713 6.292 -18.156 1.00 0.00 C ATOM 941 O PHE A 63 -22.458 6.974 -17.163 1.00 0.00 O ATOM 942 CB PHE A 63 -23.255 3.960 -17.428 1.00 0.00 C ATOM 943 CG PHE A 63 -22.710 2.599 -17.103 1.00 0.00 C ATOM 944 CD1 PHE A 63 -22.287 1.748 -18.112 1.00 0.00 C ATOM 945 CD2 PHE A 63 -22.621 2.170 -15.789 1.00 0.00 C ATOM 946 CE1 PHE A 63 -21.785 0.495 -17.816 1.00 0.00 C ATOM 947 CE2 PHE A 63 -22.120 0.918 -15.487 1.00 0.00 C ATOM 948 CZ PHE A 63 -21.702 0.079 -16.501 1.00 0.00 C ATOM 0 H PHE A 63 -20.861 4.339 -16.776 1.00 0.00 H new ATOM 0 HA PHE A 63 -22.311 4.516 -19.278 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -23.505 4.474 -16.500 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -24.182 3.847 -17.990 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -22.350 2.068 -19.142 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -22.947 2.821 -14.991 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -21.458 -0.158 -18.611 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -22.055 0.596 -14.458 1.00 0.00 H new ATOM 0 HZ PHE A 63 -21.311 -0.900 -16.267 1.00 0.00 H new ATOM 958 N THR A 64 -23.364 6.769 -19.212 1.00 0.00 N ATOM 959 CA THR A 64 -23.824 8.151 -19.266 1.00 0.00 C ATOM 960 C THR A 64 -25.196 8.248 -19.924 1.00 0.00 C ATOM 961 O THR A 64 -25.349 7.954 -21.110 1.00 0.00 O ATOM 962 CB THR A 64 -22.833 9.044 -20.036 1.00 0.00 C ATOM 963 OG1 THR A 64 -21.539 8.977 -19.428 1.00 0.00 O ATOM 964 CG2 THR A 64 -23.313 10.488 -20.061 1.00 0.00 C ATOM 0 H THR A 64 -23.585 6.218 -20.042 1.00 0.00 H new ATOM 0 HA THR A 64 -23.892 8.502 -18.236 1.00 0.00 H new ATOM 0 HB THR A 64 -22.771 8.680 -21.062 1.00 0.00 H new ATOM 0 HG1 THR A 64 -20.915 9.546 -19.924 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.597 11.100 -20.610 1.00 0.00 H new ATOM 0 HG22 THR A 64 -24.285 10.540 -20.551 1.00 0.00 H new ATOM 0 HG23 THR A 64 -23.400 10.860 -19.040 1.00 0.00 H new ATOM 972 N CYS A 65 -26.191 8.664 -19.148 1.00 0.00 N ATOM 973 CA CYS A 65 -27.551 8.800 -19.656 1.00 0.00 C ATOM 974 C CYS A 65 -27.578 9.666 -20.912 1.00 0.00 C ATOM 975 O CYS A 65 -26.639 10.413 -21.185 1.00 0.00 O ATOM 976 CB CYS A 65 -28.459 9.409 -18.585 1.00 0.00 C ATOM 977 SG CYS A 65 -30.013 10.104 -19.234 1.00 0.00 S ATOM 0 H CYS A 65 -26.081 8.913 -18.165 1.00 0.00 H new ATOM 0 HA CYS A 65 -27.918 7.806 -19.912 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -28.697 8.643 -17.847 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -27.912 10.195 -18.064 1.00 0.00 H new ATOM 982 N HIS A 66 -28.663 9.559 -21.674 1.00 0.00 N ATOM 983 CA HIS A 66 -28.813 10.332 -22.902 1.00 0.00 C ATOM 984 C HIS A 66 -29.773 11.500 -22.694 1.00 0.00 C ATOM 985 O HIS A 66 -29.546 12.601 -23.197 1.00 0.00 O ATOM 986 CB HIS A 66 -29.318 9.438 -24.034 1.00 0.00 C ATOM 987 CG HIS A 66 -29.429 10.143 -25.351 1.00 0.00 C ATOM 988 ND1 HIS A 66 -28.592 9.885 -26.416 1.00 0.00 N ATOM 989 CD2 HIS A 66 -30.286 11.102 -25.772 1.00 0.00 C ATOM 990 CE1 HIS A 66 -28.928 10.655 -27.435 1.00 0.00 C ATOM 991 NE2 HIS A 66 -29.954 11.403 -27.070 1.00 0.00 N ATOM 0 H HIS A 66 -29.450 8.945 -21.463 1.00 0.00 H new ATOM 0 HA HIS A 66 -27.835 10.731 -23.173 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -28.645 8.588 -24.142 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -30.295 9.038 -23.762 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -31.083 11.548 -25.195 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -28.446 10.671 -28.402 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -30.423 12.092 -27.657 1.00 0.00 H new ATOM 999 N HIS A 67 -30.847 11.252 -21.951 1.00 0.00 N ATOM 1000 CA HIS A 67 -31.842 12.283 -21.676 1.00 0.00 C ATOM 1001 C HIS A 67 -31.200 13.491 -21.001 1.00 0.00 C ATOM 1002 O HIS A 67 -31.087 14.562 -21.597 1.00 0.00 O ATOM 1003 CB HIS A 67 -32.958 11.723 -20.794 1.00 0.00 C ATOM 1004 CG HIS A 67 -33.942 10.875 -21.539 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -34.830 11.387 -22.461 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -34.174 9.542 -21.495 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -35.567 10.406 -22.951 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -35.188 9.276 -22.381 1.00 0.00 N ATOM 0 H HIS A 67 -31.051 10.346 -21.529 1.00 0.00 H new ATOM 0 HA HIS A 67 -32.268 12.604 -22.626 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -32.515 11.132 -19.993 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -33.488 12.551 -20.323 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -33.657 8.822 -20.878 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -36.346 10.510 -23.691 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -35.585 8.355 -22.569 1.00 0.00 H new ATOM 1016 N CYS A 68 -30.782 13.312 -19.752 1.00 0.00 N ATOM 1017 CA CYS A 68 -30.153 14.386 -18.994 1.00 0.00 C ATOM 1018 C CYS A 68 -28.640 14.379 -19.193 1.00 0.00 C ATOM 1019 O CYS A 68 -28.025 15.424 -19.398 1.00 0.00 O ATOM 1020 CB CYS A 68 -30.483 14.251 -17.506 1.00 0.00 C ATOM 1021 SG CYS A 68 -29.799 12.754 -16.726 1.00 0.00 S ATOM 0 H CYS A 68 -30.868 12.432 -19.244 1.00 0.00 H new ATOM 0 HA CYS A 68 -30.546 15.334 -19.362 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -30.104 15.127 -16.980 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -31.566 14.249 -17.384 1.00 0.00 H new ATOM 1026 N GLY A 69 -28.046 13.191 -19.131 1.00 0.00 N ATOM 1027 CA GLY A 69 -26.611 13.069 -19.306 1.00 0.00 C ATOM 1028 C GLY A 69 -25.885 12.833 -17.996 1.00 0.00 C ATOM 1029 O GLY A 69 -24.741 13.256 -17.827 1.00 0.00 O ATOM 0 H GLY A 69 -28.533 12.311 -18.963 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -26.400 12.245 -19.988 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -26.227 13.976 -19.773 1.00 0.00 H new ATOM 1033 N LYS A 70 -26.551 12.158 -17.066 1.00 0.00 N ATOM 1034 CA LYS A 70 -25.963 11.867 -15.763 1.00 0.00 C ATOM 1035 C LYS A 70 -24.775 10.921 -15.902 1.00 0.00 C ATOM 1036 O LYS A 70 -24.639 10.224 -16.907 1.00 0.00 O ATOM 1037 CB LYS A 70 -27.012 11.253 -14.833 1.00 0.00 C ATOM 1038 CG LYS A 70 -26.782 11.568 -13.365 1.00 0.00 C ATOM 1039 CD LYS A 70 -27.580 10.640 -12.465 1.00 0.00 C ATOM 1040 CE LYS A 70 -27.508 11.078 -11.010 1.00 0.00 C ATOM 1041 NZ LYS A 70 -28.527 12.117 -10.692 1.00 0.00 N ATOM 0 H LYS A 70 -27.499 11.802 -17.190 1.00 0.00 H new ATOM 0 HA LYS A 70 -25.610 12.805 -15.333 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -27.999 11.614 -15.123 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -27.016 10.171 -14.968 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -25.721 11.477 -13.134 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -27.064 12.602 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -28.620 10.622 -12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -27.199 9.623 -12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -27.657 10.214 -10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -26.513 11.468 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -28.445 12.389 -9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -28.370 12.952 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -29.478 11.736 -10.871 1.00 0.00 H new ATOM 1055 N GLN A 71 -23.918 10.902 -14.886 1.00 0.00 N ATOM 1056 CA GLN A 71 -22.742 10.040 -14.896 1.00 0.00 C ATOM 1057 C GLN A 71 -22.565 9.344 -13.550 1.00 0.00 C ATOM 1058 O GLN A 71 -22.173 9.968 -12.563 1.00 0.00 O ATOM 1059 CB GLN A 71 -21.490 10.853 -15.231 1.00 0.00 C ATOM 1060 CG GLN A 71 -21.329 11.137 -16.715 1.00 0.00 C ATOM 1061 CD GLN A 71 -19.894 11.441 -17.099 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -19.350 12.485 -16.735 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -19.271 10.529 -17.836 1.00 0.00 N ATOM 0 H GLN A 71 -24.016 11.473 -14.047 1.00 0.00 H new ATOM 0 HA GLN A 71 -22.888 9.278 -15.662 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -21.525 11.799 -14.690 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -20.611 10.315 -14.875 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -21.679 10.277 -17.286 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -21.961 11.981 -16.990 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -19.760 9.678 -18.115 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -18.304 10.679 -18.123 1.00 0.00 H new ATOM 1072 N LEU A 72 -22.858 8.049 -13.516 1.00 0.00 N ATOM 1073 CA LEU A 72 -22.732 7.268 -12.291 1.00 0.00 C ATOM 1074 C LEU A 72 -21.907 6.007 -12.531 1.00 0.00 C ATOM 1075 O LEU A 72 -21.890 5.466 -13.636 1.00 0.00 O ATOM 1076 CB LEU A 72 -24.116 6.892 -11.758 1.00 0.00 C ATOM 1077 CG LEU A 72 -24.936 8.033 -11.156 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -26.388 7.613 -10.982 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -24.343 8.472 -9.825 1.00 0.00 C ATOM 0 H LEU A 72 -23.185 7.518 -14.323 1.00 0.00 H new ATOM 0 HA LEU A 72 -22.218 7.880 -11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -24.689 6.450 -12.573 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.993 6.120 -10.999 1.00 0.00 H new ATOM 0 HG LEU A 72 -24.903 8.879 -11.842 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -26.956 8.438 -10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -26.809 7.349 -11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -26.440 6.751 -10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.940 9.285 -9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.344 7.631 -9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -23.320 8.815 -9.978 1.00 0.00 H new ATOM 1091 N ARG A 73 -21.227 5.544 -11.487 1.00 0.00 N ATOM 1092 CA ARG A 73 -20.401 4.346 -11.584 1.00 0.00 C ATOM 1093 C ARG A 73 -21.257 3.087 -11.496 1.00 0.00 C ATOM 1094 O ARG A 73 -21.071 2.142 -12.263 1.00 0.00 O ATOM 1095 CB ARG A 73 -19.346 4.338 -10.477 1.00 0.00 C ATOM 1096 CG ARG A 73 -18.336 3.209 -10.607 1.00 0.00 C ATOM 1097 CD ARG A 73 -17.149 3.621 -11.464 1.00 0.00 C ATOM 1098 NE ARG A 73 -15.978 2.784 -11.215 1.00 0.00 N ATOM 1099 CZ ARG A 73 -15.130 2.986 -10.213 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -15.322 3.991 -9.370 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -14.087 2.181 -10.052 1.00 0.00 N ATOM 0 H ARG A 73 -21.232 5.980 -10.565 1.00 0.00 H new ATOM 0 HA ARG A 73 -19.901 4.357 -12.553 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.816 5.291 -10.484 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -19.845 4.258 -9.511 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.987 2.915 -9.617 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.819 2.336 -11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.423 3.558 -12.517 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.900 4.663 -11.262 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.802 2.002 -11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.123 4.611 -9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.669 4.144 -8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.936 1.406 -10.698 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.436 2.337 -9.282 1.00 0.00 H new ATOM 1115 N SER A 74 -22.196 3.080 -10.555 1.00 0.00 N ATOM 1116 CA SER A 74 -23.078 1.935 -10.363 1.00 0.00 C ATOM 1117 C SER A 74 -24.292 2.025 -11.282 1.00 0.00 C ATOM 1118 O SER A 74 -25.150 2.893 -11.115 1.00 0.00 O ATOM 1119 CB SER A 74 -23.534 1.854 -8.905 1.00 0.00 C ATOM 1120 OG SER A 74 -22.441 1.586 -8.043 1.00 0.00 O ATOM 0 H SER A 74 -22.365 3.855 -9.914 1.00 0.00 H new ATOM 0 HA SER A 74 -22.520 1.032 -10.613 1.00 0.00 H new ATOM 0 HB2 SER A 74 -24.008 2.792 -8.616 1.00 0.00 H new ATOM 0 HB3 SER A 74 -24.286 1.072 -8.799 1.00 0.00 H new ATOM 0 HG SER A 74 -22.758 1.541 -7.117 1.00 0.00 H new ATOM 1126 N LEU A 75 -24.358 1.121 -12.254 1.00 0.00 N ATOM 1127 CA LEU A 75 -25.467 1.097 -13.202 1.00 0.00 C ATOM 1128 C LEU A 75 -26.805 1.187 -12.477 1.00 0.00 C ATOM 1129 O LEU A 75 -27.678 1.967 -12.857 1.00 0.00 O ATOM 1130 CB LEU A 75 -25.415 -0.179 -14.044 1.00 0.00 C ATOM 1131 CG LEU A 75 -26.307 -0.200 -15.287 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -25.814 0.808 -16.314 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -26.353 -1.597 -15.887 1.00 0.00 C ATOM 0 H LEU A 75 -23.657 0.396 -12.406 1.00 0.00 H new ATOM 0 HA LEU A 75 -25.372 1.962 -13.858 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -24.384 -0.341 -14.358 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -25.691 -1.021 -13.409 1.00 0.00 H new ATOM 0 HG LEU A 75 -27.318 0.079 -14.990 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -26.460 0.779 -17.191 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -25.834 1.808 -15.881 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -24.794 0.560 -16.607 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -26.992 -1.593 -16.770 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -25.346 -1.905 -16.169 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -26.754 -2.295 -15.152 1.00 0.00 H new ATOM 1145 N ALA A 76 -26.960 0.385 -11.428 1.00 0.00 N ATOM 1146 CA ALA A 76 -28.190 0.377 -10.647 1.00 0.00 C ATOM 1147 C ALA A 76 -28.629 1.796 -10.300 1.00 0.00 C ATOM 1148 O ALA A 76 -29.602 2.308 -10.853 1.00 0.00 O ATOM 1149 CB ALA A 76 -28.005 -0.444 -9.380 1.00 0.00 C ATOM 0 H ALA A 76 -26.248 -0.268 -11.100 1.00 0.00 H new ATOM 0 HA ALA A 76 -28.973 -0.080 -11.252 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -28.932 -0.441 -8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -27.745 -1.469 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -27.205 -0.011 -8.779 1.00 0.00 H new ATOM 1155 N GLY A 77 -27.905 2.427 -9.380 1.00 0.00 N ATOM 1156 CA GLY A 77 -28.237 3.780 -8.975 1.00 0.00 C ATOM 1157 C GLY A 77 -28.696 4.637 -10.138 1.00 0.00 C ATOM 1158 O GLY A 77 -29.686 5.361 -10.032 1.00 0.00 O ATOM 0 H GLY A 77 -27.095 2.025 -8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -29.022 3.748 -8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -27.366 4.241 -8.510 1.00 0.00 H new ATOM 1162 N MET A 78 -27.974 4.557 -11.251 1.00 0.00 N ATOM 1163 CA MET A 78 -28.313 5.333 -12.439 1.00 0.00 C ATOM 1164 C MET A 78 -29.682 4.930 -12.978 1.00 0.00 C ATOM 1165 O MET A 78 -30.561 5.772 -13.164 1.00 0.00 O ATOM 1166 CB MET A 78 -27.249 5.141 -13.521 1.00 0.00 C ATOM 1167 CG MET A 78 -27.755 5.417 -14.927 1.00 0.00 C ATOM 1168 SD MET A 78 -26.550 4.984 -16.197 1.00 0.00 S ATOM 1169 CE MET A 78 -25.499 6.434 -16.174 1.00 0.00 C ATOM 0 H MET A 78 -27.151 3.963 -11.355 1.00 0.00 H new ATOM 0 HA MET A 78 -28.348 6.385 -12.158 1.00 0.00 H new ATOM 0 HB2 MET A 78 -26.406 5.800 -13.311 1.00 0.00 H new ATOM 0 HB3 MET A 78 -26.874 4.119 -13.473 1.00 0.00 H new ATOM 0 HG2 MET A 78 -28.673 4.854 -15.096 1.00 0.00 H new ATOM 0 HG3 MET A 78 -28.008 6.473 -15.017 1.00 0.00 H new ATOM 0 HE1 MET A 78 -25.278 6.740 -17.197 1.00 0.00 H new ATOM 0 HE2 MET A 78 -26.010 7.245 -15.655 1.00 0.00 H new ATOM 0 HE3 MET A 78 -24.569 6.201 -15.656 1.00 0.00 H new ATOM 1179 N LYS A 79 -29.857 3.637 -13.229 1.00 0.00 N ATOM 1180 CA LYS A 79 -31.119 3.121 -13.747 1.00 0.00 C ATOM 1181 C LYS A 79 -32.300 3.689 -12.966 1.00 0.00 C ATOM 1182 O LYS A 79 -33.418 3.760 -13.477 1.00 0.00 O ATOM 1183 CB LYS A 79 -31.135 1.592 -13.677 1.00 0.00 C ATOM 1184 CG LYS A 79 -30.592 0.921 -14.927 1.00 0.00 C ATOM 1185 CD LYS A 79 -31.107 -0.502 -15.064 1.00 0.00 C ATOM 1186 CE LYS A 79 -31.001 -0.997 -16.499 1.00 0.00 C ATOM 1187 NZ LYS A 79 -31.045 -2.483 -16.577 1.00 0.00 N ATOM 0 H LYS A 79 -29.140 2.926 -13.082 1.00 0.00 H new ATOM 0 HA LYS A 79 -31.211 3.432 -14.788 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -30.548 1.270 -12.817 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -32.158 1.255 -13.509 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -30.879 1.499 -15.805 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -29.503 0.913 -14.893 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -30.538 -1.161 -14.408 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -32.146 -0.547 -14.738 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -31.816 -0.578 -17.089 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -30.071 -0.637 -16.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -30.970 -2.781 -17.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -30.252 -2.883 -16.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -31.943 -2.825 -16.180 1.00 0.00 H new ATOM 1201 N TYR A 80 -32.044 4.092 -11.726 1.00 0.00 N ATOM 1202 CA TYR A 80 -33.087 4.653 -10.875 1.00 0.00 C ATOM 1203 C TYR A 80 -33.271 6.142 -11.148 1.00 0.00 C ATOM 1204 O TYR A 80 -34.394 6.647 -11.170 1.00 0.00 O ATOM 1205 CB TYR A 80 -32.744 4.432 -9.400 1.00 0.00 C ATOM 1206 CG TYR A 80 -33.902 4.692 -8.464 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -34.959 3.796 -8.369 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -33.940 5.835 -7.674 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -36.020 4.029 -7.516 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -34.996 6.076 -6.817 1.00 0.00 C ATOM 1211 CZ TYR A 80 -36.033 5.170 -6.741 1.00 0.00 C ATOM 1212 OH TYR A 80 -37.088 5.408 -5.889 1.00 0.00 O ATOM 0 H TYR A 80 -31.124 4.041 -11.288 1.00 0.00 H new ATOM 0 HA TYR A 80 -34.022 4.142 -11.105 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -32.402 3.406 -9.265 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -31.914 5.083 -9.127 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -34.951 2.901 -8.973 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.130 6.547 -7.731 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -36.834 3.322 -7.456 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -35.010 6.969 -6.210 1.00 0.00 H new ATOM 0 HH TYR A 80 -36.942 6.253 -5.415 1.00 0.00 H new ATOM 1222 N HIS A 81 -32.160 6.841 -11.357 1.00 0.00 N ATOM 1223 CA HIS A 81 -32.197 8.273 -11.631 1.00 0.00 C ATOM 1224 C HIS A 81 -33.232 8.594 -12.706 1.00 0.00 C ATOM 1225 O HIS A 81 -33.895 9.630 -12.654 1.00 0.00 O ATOM 1226 CB HIS A 81 -30.818 8.766 -12.071 1.00 0.00 C ATOM 1227 CG HIS A 81 -30.612 8.724 -13.554 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -29.656 7.936 -14.160 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -31.248 9.377 -14.555 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -29.711 8.108 -15.468 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -30.669 8.978 -15.734 1.00 0.00 N ATOM 0 H HIS A 81 -31.223 6.439 -11.342 1.00 0.00 H new ATOM 0 HA HIS A 81 -32.482 8.786 -10.712 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -30.679 9.789 -11.722 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -30.053 8.158 -11.589 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -32.060 10.081 -14.446 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -29.080 7.620 -16.196 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -30.935 9.301 -16.664 1.00 0.00 H new ATOM 1239 N VAL A 82 -33.364 7.699 -13.679 1.00 0.00 N ATOM 1240 CA VAL A 82 -34.318 7.886 -14.766 1.00 0.00 C ATOM 1241 C VAL A 82 -35.753 7.752 -14.267 1.00 0.00 C ATOM 1242 O VAL A 82 -36.628 8.530 -14.646 1.00 0.00 O ATOM 1243 CB VAL A 82 -34.083 6.872 -15.900 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -35.172 6.990 -16.956 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -32.707 7.071 -16.517 1.00 0.00 C ATOM 0 H VAL A 82 -32.822 6.837 -13.737 1.00 0.00 H new ATOM 0 HA VAL A 82 -34.164 8.893 -15.153 1.00 0.00 H new ATOM 0 HB VAL A 82 -34.125 5.867 -15.479 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -34.989 6.266 -17.750 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -36.143 6.793 -16.501 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -35.165 7.996 -17.375 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -32.558 6.345 -17.317 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -32.633 8.080 -16.924 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -31.942 6.931 -15.753 1.00 0.00 H new ATOM 1255 N MET A 83 -35.986 6.760 -13.414 1.00 0.00 N ATOM 1256 CA MET A 83 -37.315 6.525 -12.862 1.00 0.00 C ATOM 1257 C MET A 83 -37.578 7.440 -11.670 1.00 0.00 C ATOM 1258 O MET A 83 -38.464 7.176 -10.857 1.00 0.00 O ATOM 1259 CB MET A 83 -37.463 5.062 -12.439 1.00 0.00 C ATOM 1260 CG MET A 83 -37.604 4.102 -13.609 1.00 0.00 C ATOM 1261 SD MET A 83 -37.882 2.400 -13.083 1.00 0.00 S ATOM 1262 CE MET A 83 -36.312 2.024 -12.308 1.00 0.00 C ATOM 0 H MET A 83 -35.273 6.107 -13.090 1.00 0.00 H new ATOM 0 HA MET A 83 -38.048 6.748 -13.637 1.00 0.00 H new ATOM 0 HB2 MET A 83 -36.595 4.774 -11.846 1.00 0.00 H new ATOM 0 HB3 MET A 83 -38.336 4.966 -11.793 1.00 0.00 H new ATOM 0 HG2 MET A 83 -38.433 4.423 -14.239 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.703 4.146 -14.221 1.00 0.00 H new ATOM 0 HE1 MET A 83 -36.222 0.946 -12.171 1.00 0.00 H new ATOM 0 HE2 MET A 83 -35.499 2.378 -12.942 1.00 0.00 H new ATOM 0 HE3 MET A 83 -36.257 2.518 -11.338 1.00 0.00 H new ATOM 1272 N ALA A 84 -36.803 8.515 -11.572 1.00 0.00 N ATOM 1273 CA ALA A 84 -36.954 9.469 -10.481 1.00 0.00 C ATOM 1274 C ALA A 84 -37.172 10.881 -11.012 1.00 0.00 C ATOM 1275 O ALA A 84 -37.825 11.702 -10.370 1.00 0.00 O ATOM 1276 CB ALA A 84 -35.735 9.428 -9.571 1.00 0.00 C ATOM 0 H ALA A 84 -36.064 8.747 -12.236 1.00 0.00 H new ATOM 0 HA ALA A 84 -37.834 9.186 -9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -35.862 10.146 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -35.625 8.427 -9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -34.844 9.682 -10.145 1.00 0.00 H new ATOM 1282 N ASN A 85 -36.620 11.157 -12.190 1.00 0.00 N ATOM 1283 CA ASN A 85 -36.754 12.471 -12.807 1.00 0.00 C ATOM 1284 C ASN A 85 -37.514 12.378 -14.127 1.00 0.00 C ATOM 1285 O ASN A 85 -38.495 13.091 -14.342 1.00 0.00 O ATOM 1286 CB ASN A 85 -35.374 13.089 -13.044 1.00 0.00 C ATOM 1287 CG ASN A 85 -34.694 13.496 -11.751 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -34.845 14.626 -11.286 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -33.939 12.575 -11.164 1.00 0.00 N ATOM 0 H ASN A 85 -36.076 10.488 -12.735 1.00 0.00 H new ATOM 0 HA ASN A 85 -37.319 13.108 -12.127 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -34.744 12.374 -13.573 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -35.476 13.962 -13.689 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -33.456 12.792 -10.292 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -33.842 11.651 -11.585 1.00 0.00 H new ATOM 1296 N HIS A 86 -37.056 11.493 -15.006 1.00 0.00 N ATOM 1297 CA HIS A 86 -37.694 11.305 -16.304 1.00 0.00 C ATOM 1298 C HIS A 86 -39.027 10.578 -16.154 1.00 0.00 C ATOM 1299 O HIS A 86 -40.089 11.161 -16.370 1.00 0.00 O ATOM 1300 CB HIS A 86 -36.774 10.518 -17.239 1.00 0.00 C ATOM 1301 CG HIS A 86 -35.401 11.104 -17.360 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -35.173 12.439 -17.619 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -34.180 10.528 -17.255 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -33.871 12.659 -17.669 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -33.246 11.516 -17.451 1.00 0.00 N ATOM 0 H HIS A 86 -36.246 10.895 -14.843 1.00 0.00 H new ATOM 0 HA HIS A 86 -37.882 12.289 -16.734 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -36.692 9.493 -16.877 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -37.229 10.471 -18.228 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -35.896 13.146 -17.751 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -33.978 9.486 -17.055 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -33.398 13.612 -17.856 1.00 0.00 H new ATOM 1313 N ASN A 87 -38.963 9.303 -15.785 1.00 0.00 N ATOM 1314 CA ASN A 87 -40.166 8.498 -15.607 1.00 0.00 C ATOM 1315 C ASN A 87 -40.544 8.403 -14.132 1.00 0.00 C ATOM 1316 O ASN A 87 -40.336 7.372 -13.492 1.00 0.00 O ATOM 1317 CB ASN A 87 -39.955 7.096 -16.182 1.00 0.00 C ATOM 1318 CG ASN A 87 -39.825 7.104 -17.693 1.00 0.00 C ATOM 1319 OD1 ASN A 87 -40.698 6.607 -18.405 1.00 0.00 O ATOM 1320 ND2 ASN A 87 -38.731 7.670 -18.190 1.00 0.00 N ATOM 0 H ASN A 87 -38.091 8.805 -15.603 1.00 0.00 H new ATOM 0 HA ASN A 87 -40.982 8.985 -16.142 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -39.057 6.659 -15.745 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -40.792 6.459 -15.895 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -38.589 7.705 -19.199 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -38.033 8.070 -17.562 1.00 0.00 H new ATOM 1327 N SER A 88 -41.103 9.485 -13.600 1.00 0.00 N ATOM 1328 CA SER A 88 -41.508 9.525 -12.200 1.00 0.00 C ATOM 1329 C SER A 88 -42.470 10.682 -11.946 1.00 0.00 C ATOM 1330 O SER A 88 -42.493 11.661 -12.692 1.00 0.00 O ATOM 1331 CB SER A 88 -40.281 9.660 -11.295 1.00 0.00 C ATOM 1332 OG SER A 88 -40.502 9.040 -10.040 1.00 0.00 O ATOM 0 H SER A 88 -41.286 10.345 -14.117 1.00 0.00 H new ATOM 0 HA SER A 88 -42.020 8.591 -11.969 1.00 0.00 H new ATOM 0 HB2 SER A 88 -39.416 9.208 -11.780 1.00 0.00 H new ATOM 0 HB3 SER A 88 -40.049 10.715 -11.147 1.00 0.00 H new ATOM 0 HG SER A 88 -39.910 8.264 -9.950 1.00 0.00 H new ATOM 1338 N LEU A 89 -43.264 10.561 -10.887 1.00 0.00 N ATOM 1339 CA LEU A 89 -44.230 11.596 -10.533 1.00 0.00 C ATOM 1340 C LEU A 89 -43.525 12.905 -10.191 1.00 0.00 C ATOM 1341 O LEU A 89 -42.599 12.946 -9.381 1.00 0.00 O ATOM 1342 CB LEU A 89 -45.084 11.139 -9.349 1.00 0.00 C ATOM 1343 CG LEU A 89 -46.129 10.064 -9.651 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -45.571 8.680 -9.357 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -47.396 10.312 -8.846 1.00 0.00 C ATOM 0 H LEU A 89 -43.258 9.757 -10.259 1.00 0.00 H new ATOM 0 HA LEU A 89 -44.875 11.767 -11.395 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -44.419 10.763 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -45.595 12.009 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 89 -46.379 10.115 -10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -46.328 7.928 -9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -44.692 8.503 -9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -45.292 8.616 -8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -48.129 9.538 -9.073 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -47.161 10.289 -7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -47.807 11.288 -9.105 1.00 0.00 H new ATOM 1357 N PRO A 90 -43.973 14.000 -10.822 1.00 0.00 N ATOM 1358 CA PRO A 90 -43.401 15.332 -10.598 1.00 0.00 C ATOM 1359 C PRO A 90 -43.726 15.877 -9.212 1.00 0.00 C ATOM 1360 O PRO A 90 -42.895 16.531 -8.582 1.00 0.00 O ATOM 1361 CB PRO A 90 -44.065 16.189 -11.679 1.00 0.00 C ATOM 1362 CG PRO A 90 -45.347 15.492 -11.981 1.00 0.00 C ATOM 1363 CD PRO A 90 -45.073 14.024 -11.801 1.00 0.00 C ATOM 0 HA PRO A 90 -42.312 15.322 -10.651 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -44.241 17.205 -11.326 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -43.436 16.264 -12.566 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -46.140 15.826 -11.312 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -45.677 15.706 -12.998 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -45.951 13.494 -11.432 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -44.786 13.551 -12.740 1.00 0.00 H new ATOM 1371 N SER A 91 -44.939 15.603 -8.743 1.00 0.00 N ATOM 1372 CA SER A 91 -45.374 16.069 -7.431 1.00 0.00 C ATOM 1373 C SER A 91 -44.263 15.904 -6.399 1.00 0.00 C ATOM 1374 O SER A 91 -43.904 16.850 -5.700 1.00 0.00 O ATOM 1375 CB SER A 91 -46.621 15.304 -6.983 1.00 0.00 C ATOM 1376 OG SER A 91 -47.287 15.985 -5.934 1.00 0.00 O ATOM 0 H SER A 91 -45.638 15.061 -9.251 1.00 0.00 H new ATOM 0 HA SER A 91 -45.616 17.129 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 91 -47.298 15.180 -7.828 1.00 0.00 H new ATOM 0 HB3 SER A 91 -46.339 14.305 -6.651 1.00 0.00 H new ATOM 0 HG SER A 91 -48.081 15.477 -5.667 1.00 0.00 H new ATOM 1382 N GLY A 92 -43.722 14.692 -6.310 1.00 0.00 N ATOM 1383 CA GLY A 92 -42.657 14.423 -5.361 1.00 0.00 C ATOM 1384 C GLY A 92 -41.393 15.200 -5.673 1.00 0.00 C ATOM 1385 O GLY A 92 -41.284 16.392 -5.385 1.00 0.00 O ATOM 0 H GLY A 92 -44.002 13.892 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -42.997 14.676 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -42.434 13.356 -5.363 1.00 0.00 H new ATOM 1389 N PRO A 93 -40.408 14.517 -6.274 1.00 0.00 N ATOM 1390 CA PRO A 93 -39.127 15.130 -6.637 1.00 0.00 C ATOM 1391 C PRO A 93 -39.265 16.129 -7.781 1.00 0.00 C ATOM 1392 O PRO A 93 -40.259 16.121 -8.507 1.00 0.00 O ATOM 1393 CB PRO A 93 -38.272 13.936 -7.071 1.00 0.00 C ATOM 1394 CG PRO A 93 -39.255 12.908 -7.515 1.00 0.00 C ATOM 1395 CD PRO A 93 -40.469 13.093 -6.647 1.00 0.00 C ATOM 0 HA PRO A 93 -38.701 15.700 -5.812 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -37.592 14.208 -7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -37.659 13.568 -6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -39.505 13.037 -8.568 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -38.846 11.904 -7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -41.387 12.857 -7.185 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -40.438 12.446 -5.770 1.00 0.00 H new ATOM 1403 N SER A 94 -38.262 16.987 -7.936 1.00 0.00 N ATOM 1404 CA SER A 94 -38.274 17.994 -8.990 1.00 0.00 C ATOM 1405 C SER A 94 -37.452 17.535 -10.190 1.00 0.00 C ATOM 1406 O SER A 94 -36.222 17.581 -10.168 1.00 0.00 O ATOM 1407 CB SER A 94 -37.729 19.322 -8.462 1.00 0.00 C ATOM 1408 OG SER A 94 -38.758 20.098 -7.872 1.00 0.00 O ATOM 0 H SER A 94 -37.431 17.005 -7.345 1.00 0.00 H new ATOM 0 HA SER A 94 -39.306 18.135 -9.311 1.00 0.00 H new ATOM 0 HB2 SER A 94 -36.947 19.131 -7.727 1.00 0.00 H new ATOM 0 HB3 SER A 94 -37.271 19.881 -9.278 1.00 0.00 H new ATOM 0 HG SER A 94 -38.383 20.941 -7.541 1.00 0.00 H new ATOM 1414 N SER A 95 -38.140 17.092 -11.237 1.00 0.00 N ATOM 1415 CA SER A 95 -37.475 16.620 -12.446 1.00 0.00 C ATOM 1416 C SER A 95 -36.570 17.703 -13.026 1.00 0.00 C ATOM 1417 O SER A 95 -35.425 17.441 -13.392 1.00 0.00 O ATOM 1418 CB SER A 95 -38.509 16.190 -13.488 1.00 0.00 C ATOM 1419 OG SER A 95 -37.887 15.866 -14.720 1.00 0.00 O ATOM 0 H SER A 95 -39.159 17.050 -11.273 1.00 0.00 H new ATOM 0 HA SER A 95 -36.859 15.761 -12.181 1.00 0.00 H new ATOM 0 HB2 SER A 95 -39.064 15.328 -13.119 1.00 0.00 H new ATOM 0 HB3 SER A 95 -39.231 16.992 -13.641 1.00 0.00 H new ATOM 0 HG SER A 95 -37.944 14.899 -14.871 1.00 0.00 H new ATOM 1425 N GLY A 96 -37.094 18.922 -13.106 1.00 0.00 N ATOM 1426 CA GLY A 96 -36.322 20.028 -13.642 1.00 0.00 C ATOM 1427 C GLY A 96 -34.885 20.019 -13.159 1.00 0.00 C ATOM 1428 O GLY A 96 -34.607 20.578 -12.099 1.00 0.00 O ATOM 0 H GLY A 96 -38.039 19.164 -12.809 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -36.336 19.983 -14.731 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -36.793 20.968 -13.355 1.00 0.00 H new TER 1432 GLY A 96 HETATM 1433 ZN ZN A 201 -4.047 -0.762 -17.761 1.00 0.00 ZN HETATM 1434 ZN ZN A 401 -31.046 10.798 -17.210 1.00 0.00 ZN