USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 910 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 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 46 MET CE :methyl 145:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 MET CE :methyl -154:sc= -0.746 (180deg=-0.761) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0718 USER MOD Single : A 3 SER OG : rot 43:sc= 0.429 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 11 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.31) USER MOD Single : A 14 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.7) USER MOD Single : A 15 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-3.5!) USER MOD Single : A 16 THR OG1 : rot 130:sc= -0.0478 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -68:sc= 0.948 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -50:sc= -0.219 USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= -0.423 (180deg=-0.742) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -3.28! K(o=-3.3!,f=-2.1) USER MOD Single : A 45 SER OG : rot -64:sc= 0.483 USER MOD Single : A 48 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0.0085) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-4.1!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 160:sc= 0.116 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.58! C(o=-1.6!,f=-6.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 150:sc= -0.158 USER MOD Single : A 75 ASN : amide:sc= -0.0176 K(o=-0.018,f=-1.1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -3.72! C(o=-3.7!,f=-2.3!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -164:sc=-0.00895 (180deg=-0.13) USER MOD Single : A 100 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.77) USER MOD Single : A 107 TYR OH : rot -16:sc= -0.327 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0682 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= -0.153 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.475 20.920 -10.657 1.00 0.00 N ATOM 2 CA GLY A 1 12.061 20.736 -10.388 1.00 0.00 C ATOM 3 C GLY A 1 11.606 21.475 -9.144 1.00 0.00 C ATOM 4 O GLY A 1 11.477 22.699 -9.153 1.00 0.00 O ATOM 0 H1 GLY A 1 13.736 20.396 -11.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.673 21.932 -10.795 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.030 20.565 -9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.483 21.083 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.852 19.673 -10.272 1.00 0.00 H new ATOM 8 N SER A 2 11.362 20.729 -8.071 1.00 0.00 N ATOM 9 CA SER A 2 10.913 21.320 -6.816 1.00 0.00 C ATOM 10 C SER A 2 11.431 20.521 -5.624 1.00 0.00 C ATOM 11 O SER A 2 11.815 19.359 -5.761 1.00 0.00 O ATOM 12 CB SER A 2 9.385 21.385 -6.775 1.00 0.00 C ATOM 13 OG SER A 2 8.930 21.920 -5.545 1.00 0.00 O ATOM 0 H SER A 2 11.468 19.715 -8.046 1.00 0.00 H new ATOM 0 HA SER A 2 11.314 22.332 -6.756 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.022 21.999 -7.599 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.972 20.386 -6.916 1.00 0.00 H new ATOM 0 HG SER A 2 7.951 21.953 -5.545 1.00 0.00 H new ATOM 19 N SER A 3 11.439 21.153 -4.454 1.00 0.00 N ATOM 20 CA SER A 3 11.913 20.503 -3.238 1.00 0.00 C ATOM 21 C SER A 3 10.879 20.619 -2.122 1.00 0.00 C ATOM 22 O SER A 3 10.537 21.719 -1.689 1.00 0.00 O ATOM 23 CB SER A 3 13.238 21.122 -2.788 1.00 0.00 C ATOM 24 OG SER A 3 13.099 22.513 -2.558 1.00 0.00 O ATOM 0 H SER A 3 11.123 22.114 -4.323 1.00 0.00 H new ATOM 0 HA SER A 3 12.069 19.447 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.581 20.632 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.000 20.950 -3.548 1.00 0.00 H new ATOM 0 HG SER A 3 12.260 22.684 -2.082 1.00 0.00 H new ATOM 30 N GLY A 4 10.385 19.474 -1.660 1.00 0.00 N ATOM 31 CA GLY A 4 9.395 19.468 -0.599 1.00 0.00 C ATOM 32 C GLY A 4 9.583 18.311 0.362 1.00 0.00 C ATOM 33 O GLY A 4 8.936 17.273 0.228 1.00 0.00 O ATOM 0 H GLY A 4 10.653 18.551 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.452 20.407 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.398 19.415 -1.037 1.00 0.00 H new ATOM 37 N SER A 5 10.472 18.490 1.334 1.00 0.00 N ATOM 38 CA SER A 5 10.748 17.450 2.318 1.00 0.00 C ATOM 39 C SER A 5 10.716 18.019 3.733 1.00 0.00 C ATOM 40 O SER A 5 10.933 19.213 3.939 1.00 0.00 O ATOM 41 CB SER A 5 12.109 16.807 2.046 1.00 0.00 C ATOM 42 OG SER A 5 12.216 15.548 2.687 1.00 0.00 O ATOM 0 H SER A 5 11.013 19.345 1.461 1.00 0.00 H new ATOM 0 HA SER A 5 9.972 16.689 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.249 16.685 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.903 17.466 2.398 1.00 0.00 H new ATOM 0 HG SER A 5 13.094 15.157 2.496 1.00 0.00 H new ATOM 48 N SER A 6 10.443 17.155 4.706 1.00 0.00 N ATOM 49 CA SER A 6 10.379 17.572 6.102 1.00 0.00 C ATOM 50 C SER A 6 10.855 16.454 7.025 1.00 0.00 C ATOM 51 O SER A 6 10.806 15.277 6.670 1.00 0.00 O ATOM 52 CB SER A 6 8.950 17.978 6.470 1.00 0.00 C ATOM 53 OG SER A 6 8.827 18.205 7.863 1.00 0.00 O ATOM 0 H SER A 6 10.263 16.163 4.553 1.00 0.00 H new ATOM 0 HA SER A 6 11.038 18.431 6.230 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.674 18.881 5.925 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.256 17.196 6.163 1.00 0.00 H new ATOM 0 HG SER A 6 7.905 18.465 8.072 1.00 0.00 H new ATOM 59 N GLY A 7 11.317 16.832 8.213 1.00 0.00 N ATOM 60 CA GLY A 7 11.796 15.851 9.170 1.00 0.00 C ATOM 61 C GLY A 7 10.666 15.142 9.888 1.00 0.00 C ATOM 62 O GLY A 7 9.929 14.364 9.283 1.00 0.00 O ATOM 0 H GLY A 7 11.368 17.800 8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.412 15.115 8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.435 16.344 9.903 1.00 0.00 H new ATOM 66 N GLU A 8 10.530 15.410 11.184 1.00 0.00 N ATOM 67 CA GLU A 8 9.482 14.788 11.985 1.00 0.00 C ATOM 68 C GLU A 8 9.369 15.463 13.350 1.00 0.00 C ATOM 69 O GLU A 8 10.345 15.970 13.902 1.00 0.00 O ATOM 70 CB GLU A 8 9.764 13.295 12.164 1.00 0.00 C ATOM 71 CG GLU A 8 10.696 12.986 13.323 1.00 0.00 C ATOM 72 CD GLU A 8 11.064 11.517 13.401 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.174 10.670 13.183 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.244 11.216 13.679 1.00 0.00 O ATOM 0 H GLU A 8 11.131 16.052 11.700 1.00 0.00 H new ATOM 0 HA GLU A 8 8.536 14.910 11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.820 12.772 12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.199 12.903 11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.605 13.579 13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.221 13.288 14.257 1.00 0.00 H new ATOM 81 N PRO A 9 8.148 15.470 13.906 1.00 0.00 N ATOM 82 CA PRO A 9 7.878 16.079 15.212 1.00 0.00 C ATOM 83 C PRO A 9 8.503 15.292 16.359 1.00 0.00 C ATOM 84 O PRO A 9 8.742 14.091 16.243 1.00 0.00 O ATOM 85 CB PRO A 9 6.350 16.043 15.310 1.00 0.00 C ATOM 86 CG PRO A 9 5.940 14.915 14.427 1.00 0.00 C ATOM 87 CD PRO A 9 6.939 14.884 13.304 1.00 0.00 C ATOM 0 HA PRO A 9 8.301 17.080 15.290 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.023 15.881 16.337 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.910 16.984 14.980 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.938 13.972 14.974 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.930 15.065 14.046 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.117 13.868 12.953 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.597 15.462 12.446 1.00 0.00 H new ATOM 95 N ALA A 10 8.766 15.978 17.466 1.00 0.00 N ATOM 96 CA ALA A 10 9.362 15.343 18.635 1.00 0.00 C ATOM 97 C ALA A 10 8.355 14.442 19.343 1.00 0.00 C ATOM 98 O ALA A 10 8.632 13.271 19.605 1.00 0.00 O ATOM 99 CB ALA A 10 9.896 16.397 19.594 1.00 0.00 C ATOM 0 H ALA A 10 8.576 16.974 17.578 1.00 0.00 H new ATOM 0 HA ALA A 10 10.192 14.722 18.297 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.338 15.908 20.462 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.654 16.997 19.090 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.079 17.042 19.918 1.00 0.00 H new ATOM 105 N HIS A 11 7.187 14.996 19.650 1.00 0.00 N ATOM 106 CA HIS A 11 6.138 14.242 20.329 1.00 0.00 C ATOM 107 C HIS A 11 5.920 12.890 19.656 1.00 0.00 C ATOM 108 O HIS A 11 5.600 12.820 18.470 1.00 0.00 O ATOM 109 CB HIS A 11 4.833 15.037 20.337 1.00 0.00 C ATOM 110 CG HIS A 11 5.010 16.475 20.718 1.00 0.00 C ATOM 111 ND1 HIS A 11 4.991 17.504 19.800 1.00 0.00 N ATOM 112 CD2 HIS A 11 5.209 17.053 21.925 1.00 0.00 C ATOM 113 CE1 HIS A 11 5.172 18.653 20.426 1.00 0.00 C ATOM 114 NE2 HIS A 11 5.306 18.407 21.717 1.00 0.00 N ATOM 0 H HIS A 11 6.942 15.964 19.440 1.00 0.00 H new ATOM 0 HA HIS A 11 6.455 14.070 21.357 1.00 0.00 H new ATOM 0 HB2 HIS A 11 4.379 14.985 19.347 1.00 0.00 H new ATOM 0 HB3 HIS A 11 4.136 14.569 21.032 1.00 0.00 H new ATOM 0 HD2 HIS A 11 5.279 16.544 22.875 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.205 19.627 19.962 1.00 0.00 H new ATOM 0 HE2 HIS A 11 5.457 19.109 22.442 1.00 0.00 H new ATOM 122 N GLY A 12 6.095 11.817 20.422 1.00 0.00 N ATOM 123 CA GLY A 12 5.914 10.482 19.882 1.00 0.00 C ATOM 124 C GLY A 12 4.452 10.096 19.769 1.00 0.00 C ATOM 125 O GLY A 12 4.019 9.101 20.350 1.00 0.00 O ATOM 0 H GLY A 12 6.359 11.849 21.407 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.379 10.425 18.898 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.428 9.763 20.519 1.00 0.00 H new ATOM 129 N ARG A 13 3.690 10.887 19.020 1.00 0.00 N ATOM 130 CA ARG A 13 2.268 10.624 18.835 1.00 0.00 C ATOM 131 C ARG A 13 1.882 10.734 17.363 1.00 0.00 C ATOM 132 O ARG A 13 0.875 11.353 17.021 1.00 0.00 O ATOM 133 CB ARG A 13 1.434 11.601 19.666 1.00 0.00 C ATOM 134 CG ARG A 13 1.583 13.050 19.233 1.00 0.00 C ATOM 135 CD ARG A 13 0.427 13.903 19.731 1.00 0.00 C ATOM 136 NE ARG A 13 0.799 15.309 19.862 1.00 0.00 N ATOM 137 CZ ARG A 13 -0.082 16.301 19.916 1.00 0.00 C ATOM 138 NH1 ARG A 13 -1.381 16.042 19.853 1.00 0.00 N ATOM 139 NH2 ARG A 13 0.334 17.555 20.035 1.00 0.00 N ATOM 0 H ARG A 13 4.033 11.714 18.532 1.00 0.00 H new ATOM 0 HA ARG A 13 2.066 9.607 19.171 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.384 11.317 19.599 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.722 11.512 20.713 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.522 13.450 19.615 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.633 13.102 18.145 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.413 13.813 19.042 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.089 13.526 20.696 1.00 0.00 H new ATOM 0 HE ARG A 13 1.791 15.542 19.915 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.705 15.079 19.763 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.056 16.806 19.895 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.332 17.759 20.085 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.344 18.316 20.076 1.00 0.00 H new ATOM 153 N GLN A 14 2.689 10.128 16.498 1.00 0.00 N ATOM 154 CA GLN A 14 2.432 10.160 15.063 1.00 0.00 C ATOM 155 C GLN A 14 1.695 8.902 14.615 1.00 0.00 C ATOM 156 O GLN A 14 2.256 7.806 14.622 1.00 0.00 O ATOM 157 CB GLN A 14 3.745 10.298 14.291 1.00 0.00 C ATOM 158 CG GLN A 14 4.802 9.285 14.702 1.00 0.00 C ATOM 159 CD GLN A 14 5.693 9.791 15.818 1.00 0.00 C ATOM 160 OE1 GLN A 14 6.073 10.962 15.843 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.033 8.910 16.751 1.00 0.00 N ATOM 0 H GLN A 14 3.526 9.609 16.766 1.00 0.00 H new ATOM 0 HA GLN A 14 1.802 11.024 14.851 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.544 10.188 13.225 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.140 11.303 14.439 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.313 8.365 15.022 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.416 9.035 13.837 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.696 7.949 16.692 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.631 9.194 17.527 1.00 0.00 H new ATOM 170 N HIS A 15 0.435 9.068 14.225 1.00 0.00 N ATOM 171 CA HIS A 15 -0.379 7.945 13.772 1.00 0.00 C ATOM 172 C HIS A 15 -0.954 8.216 12.385 1.00 0.00 C ATOM 173 O HIS A 15 -1.485 9.295 12.120 1.00 0.00 O ATOM 174 CB HIS A 15 -1.512 7.678 14.764 1.00 0.00 C ATOM 175 CG HIS A 15 -1.036 7.394 16.155 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.201 8.241 16.852 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.284 6.350 16.980 1.00 0.00 C ATOM 178 CE1 HIS A 15 0.045 7.730 18.045 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.601 6.583 18.148 1.00 0.00 N ATOM 0 H HIS A 15 -0.044 9.968 14.213 1.00 0.00 H new ATOM 0 HA HIS A 15 0.260 7.064 13.715 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.176 8.542 14.785 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.101 6.832 14.411 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.904 5.493 16.760 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.668 8.175 18.807 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.594 5.970 18.963 1.00 0.00 H new ATOM 187 N THR A 16 -0.844 7.228 11.502 1.00 0.00 N ATOM 188 CA THR A 16 -1.351 7.360 10.141 1.00 0.00 C ATOM 189 C THR A 16 -2.593 6.501 9.932 1.00 0.00 C ATOM 190 O THR A 16 -2.587 5.292 10.162 1.00 0.00 O ATOM 191 CB THR A 16 -0.284 6.962 9.104 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.857 6.955 7.791 1.00 0.00 O ATOM 193 CG2 THR A 16 0.291 5.589 9.418 1.00 0.00 C ATOM 0 H THR A 16 -0.409 6.328 11.705 1.00 0.00 H new ATOM 0 HA THR A 16 -1.611 8.409 10.000 1.00 0.00 H new ATOM 0 HB THR A 16 0.522 7.694 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.289 7.473 7.183 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.042 5.330 8.672 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.751 5.604 10.406 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.508 4.848 9.401 1.00 0.00 H new ATOM 201 N PRO A 17 -3.685 7.138 9.484 1.00 0.00 N ATOM 202 CA PRO A 17 -4.955 6.451 9.232 1.00 0.00 C ATOM 203 C PRO A 17 -4.882 5.521 8.025 1.00 0.00 C ATOM 204 O PRO A 17 -3.893 5.517 7.291 1.00 0.00 O ATOM 205 CB PRO A 17 -5.932 7.598 8.965 1.00 0.00 C ATOM 206 CG PRO A 17 -5.079 8.716 8.473 1.00 0.00 C ATOM 207 CD PRO A 17 -3.764 8.578 9.188 1.00 0.00 C ATOM 0 HA PRO A 17 -5.245 5.812 10.066 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.681 7.316 8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.469 7.879 9.871 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.944 8.658 7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.539 9.681 8.685 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.932 8.906 8.565 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.737 9.177 10.098 1.00 0.00 H new ATOM 215 N CYS A 18 -5.934 4.736 7.824 1.00 0.00 N ATOM 216 CA CYS A 18 -5.990 3.802 6.706 1.00 0.00 C ATOM 217 C CYS A 18 -6.501 4.493 5.445 1.00 0.00 C ATOM 218 O CYS A 18 -7.138 5.545 5.515 1.00 0.00 O ATOM 219 CB CYS A 18 -6.891 2.614 7.051 1.00 0.00 C ATOM 220 SG CYS A 18 -6.879 1.285 5.805 1.00 0.00 S ATOM 0 H CYS A 18 -6.761 4.728 8.421 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.980 3.440 6.517 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.578 2.201 8.010 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.913 2.971 7.176 1.00 0.00 H new ATOM 225 N LEU A 19 -6.217 3.895 4.294 1.00 0.00 N ATOM 226 CA LEU A 19 -6.648 4.452 3.016 1.00 0.00 C ATOM 227 C LEU A 19 -8.108 4.108 2.737 1.00 0.00 C ATOM 228 O LEU A 19 -8.887 4.962 2.314 1.00 0.00 O ATOM 229 CB LEU A 19 -5.763 3.926 1.884 1.00 0.00 C ATOM 230 CG LEU A 19 -4.254 4.004 2.120 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.911 5.210 2.981 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.749 2.723 2.767 1.00 0.00 C ATOM 0 H LEU A 19 -5.690 3.025 4.219 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.553 5.537 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.028 2.885 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.998 4.483 0.977 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.759 4.119 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.833 5.250 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.238 6.120 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.416 5.125 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.673 2.796 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.250 2.577 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.962 1.877 2.113 1.00 0.00 H new ATOM 244 N PHE A 20 -8.472 2.853 2.978 1.00 0.00 N ATOM 245 CA PHE A 20 -9.838 2.397 2.753 1.00 0.00 C ATOM 246 C PHE A 20 -10.748 2.818 3.904 1.00 0.00 C ATOM 247 O PHE A 20 -11.830 3.366 3.687 1.00 0.00 O ATOM 248 CB PHE A 20 -9.871 0.876 2.593 1.00 0.00 C ATOM 249 CG PHE A 20 -8.938 0.364 1.532 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.297 0.412 0.195 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.703 -0.163 1.873 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.440 -0.059 -0.783 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.843 -0.635 0.900 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.211 -0.581 -0.430 1.00 0.00 C ATOM 0 H PHE A 20 -7.840 2.134 3.329 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.202 2.860 1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.614 0.413 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.888 0.566 2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.256 0.821 -0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.409 -0.205 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.732 -0.019 -1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.884 -1.046 1.179 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.539 -0.946 -1.193 1.00 0.00 H new ATOM 264 N CYS A 21 -10.302 2.558 5.128 1.00 0.00 N ATOM 265 CA CYS A 21 -11.075 2.908 6.314 1.00 0.00 C ATOM 266 C CYS A 21 -10.424 4.067 7.064 1.00 0.00 C ATOM 267 O CYS A 21 -9.432 4.636 6.609 1.00 0.00 O ATOM 268 CB CYS A 21 -11.206 1.696 7.239 1.00 0.00 C ATOM 269 SG CYS A 21 -9.641 1.183 8.017 1.00 0.00 S ATOM 0 H CYS A 21 -9.409 2.106 5.325 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.069 3.219 5.992 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.930 1.925 8.021 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.608 0.859 6.668 1.00 0.00 H new ATOM 274 N ASP A 22 -10.989 4.409 8.217 1.00 0.00 N ATOM 275 CA ASP A 22 -10.464 5.499 9.031 1.00 0.00 C ATOM 276 C ASP A 22 -9.790 4.960 10.290 1.00 0.00 C ATOM 277 O ASP A 22 -9.958 5.509 11.379 1.00 0.00 O ATOM 278 CB ASP A 22 -11.587 6.465 9.413 1.00 0.00 C ATOM 279 CG ASP A 22 -12.543 6.724 8.265 1.00 0.00 C ATOM 280 OD1 ASP A 22 -13.509 5.948 8.111 1.00 0.00 O ATOM 281 OD2 ASP A 22 -12.326 7.704 7.523 1.00 0.00 O ATOM 0 H ASP A 22 -11.810 3.947 8.609 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.719 6.034 8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.141 6.057 10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.154 7.410 9.741 1.00 0.00 H new ATOM 286 N ARG A 23 -9.029 3.883 10.132 1.00 0.00 N ATOM 287 CA ARG A 23 -8.332 3.268 11.255 1.00 0.00 C ATOM 288 C ARG A 23 -6.938 3.867 11.423 1.00 0.00 C ATOM 289 O ARG A 23 -6.149 3.905 10.478 1.00 0.00 O ATOM 290 CB ARG A 23 -8.228 1.756 11.053 1.00 0.00 C ATOM 291 CG ARG A 23 -9.486 1.000 11.448 1.00 0.00 C ATOM 292 CD ARG A 23 -9.259 -0.503 11.438 1.00 0.00 C ATOM 293 NE ARG A 23 -10.273 -1.215 12.212 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.088 -2.425 12.729 1.00 0.00 C ATOM 295 NH1 ARG A 23 -8.934 -3.054 12.555 1.00 0.00 N ATOM 296 NH2 ARG A 23 -11.058 -3.007 13.421 1.00 0.00 N ATOM 0 H ARG A 23 -8.879 3.418 9.237 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.906 3.467 12.160 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.006 1.553 10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.389 1.377 11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.804 1.314 12.442 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.294 1.252 10.761 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.268 -0.864 10.410 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.272 -0.723 11.844 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.172 -0.758 12.364 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.186 -2.609 12.023 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.794 -3.983 12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.947 -2.526 13.557 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.915 -3.936 13.817 1.00 0.00 H new ATOM 310 N LEU A 24 -6.642 4.334 12.631 1.00 0.00 N ATOM 311 CA LEU A 24 -5.344 4.932 12.923 1.00 0.00 C ATOM 312 C LEU A 24 -4.340 3.868 13.357 1.00 0.00 C ATOM 313 O LEU A 24 -4.686 2.929 14.073 1.00 0.00 O ATOM 314 CB LEU A 24 -5.484 5.993 14.016 1.00 0.00 C ATOM 315 CG LEU A 24 -6.071 7.335 13.577 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.386 8.201 14.787 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.114 8.055 12.638 1.00 0.00 C ATOM 0 H LEU A 24 -7.283 4.310 13.424 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.975 5.404 12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.111 5.587 14.810 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.500 6.173 14.448 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.000 7.145 13.040 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.803 9.152 14.455 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.109 7.690 15.422 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.472 8.383 15.352 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.549 9.008 12.336 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.168 8.233 13.149 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.939 7.440 11.755 1.00 0.00 H new ATOM 329 N PHE A 25 -3.095 4.024 12.920 1.00 0.00 N ATOM 330 CA PHE A 25 -2.040 3.078 13.264 1.00 0.00 C ATOM 331 C PHE A 25 -0.742 3.808 13.597 1.00 0.00 C ATOM 332 O PHE A 25 -0.333 4.725 12.885 1.00 0.00 O ATOM 333 CB PHE A 25 -1.807 2.100 12.110 1.00 0.00 C ATOM 334 CG PHE A 25 -3.041 1.348 11.704 1.00 0.00 C ATOM 335 CD1 PHE A 25 -3.992 1.940 10.888 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.251 0.048 12.137 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.129 1.249 10.513 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.386 -0.647 11.764 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.326 -0.046 10.951 1.00 0.00 C ATOM 0 H PHE A 25 -2.792 4.797 12.327 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.359 2.521 14.145 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.427 2.650 11.249 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.035 1.387 12.399 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.843 2.952 10.541 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.519 -0.427 12.773 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.863 1.722 9.878 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.537 -1.659 12.108 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.213 -0.587 10.658 1.00 0.00 H new ATOM 349 N ALA A 26 -0.100 3.395 14.685 1.00 0.00 N ATOM 350 CA ALA A 26 1.151 4.008 15.112 1.00 0.00 C ATOM 351 C ALA A 26 2.096 4.207 13.932 1.00 0.00 C ATOM 352 O ALA A 26 2.552 5.320 13.671 1.00 0.00 O ATOM 353 CB ALA A 26 1.816 3.158 16.185 1.00 0.00 C ATOM 0 H ALA A 26 -0.426 2.638 15.286 1.00 0.00 H new ATOM 0 HA ALA A 26 0.922 4.988 15.530 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.750 3.628 16.495 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.151 3.071 17.044 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.024 2.165 15.786 1.00 0.00 H new ATOM 359 N SER A 27 2.387 3.121 13.223 1.00 0.00 N ATOM 360 CA SER A 27 3.282 3.176 12.073 1.00 0.00 C ATOM 361 C SER A 27 2.557 2.749 10.800 1.00 0.00 C ATOM 362 O SER A 27 1.401 2.331 10.842 1.00 0.00 O ATOM 363 CB SER A 27 4.500 2.281 12.305 1.00 0.00 C ATOM 364 OG SER A 27 5.467 2.933 13.109 1.00 0.00 O ATOM 0 H SER A 27 2.016 2.192 13.425 1.00 0.00 H new ATOM 0 HA SER A 27 3.616 4.207 11.952 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.188 1.354 12.786 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.943 2.009 11.347 1.00 0.00 H new ATOM 0 HG SER A 27 6.235 2.339 13.244 1.00 0.00 H new ATOM 370 N ALA A 28 3.247 2.858 9.669 1.00 0.00 N ATOM 371 CA ALA A 28 2.671 2.481 8.384 1.00 0.00 C ATOM 372 C ALA A 28 2.478 0.972 8.290 1.00 0.00 C ATOM 373 O ALA A 28 1.373 0.493 8.037 1.00 0.00 O ATOM 374 CB ALA A 28 3.553 2.974 7.246 1.00 0.00 C ATOM 0 H ALA A 28 4.205 3.204 9.617 1.00 0.00 H new ATOM 0 HA ALA A 28 1.691 2.952 8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.111 2.686 6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.636 4.060 7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.544 2.530 7.336 1.00 0.00 H new ATOM 380 N GLU A 29 3.560 0.227 8.495 1.00 0.00 N ATOM 381 CA GLU A 29 3.509 -1.229 8.431 1.00 0.00 C ATOM 382 C GLU A 29 2.251 -1.759 9.114 1.00 0.00 C ATOM 383 O GLU A 29 1.607 -2.683 8.620 1.00 0.00 O ATOM 384 CB GLU A 29 4.752 -1.835 9.085 1.00 0.00 C ATOM 385 CG GLU A 29 6.016 -1.670 8.259 1.00 0.00 C ATOM 386 CD GLU A 29 7.183 -2.465 8.812 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.344 -3.638 8.414 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.935 -1.914 9.643 1.00 0.00 O ATOM 0 H GLU A 29 4.482 0.608 8.707 1.00 0.00 H new ATOM 0 HA GLU A 29 3.482 -1.520 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.902 -1.371 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.579 -2.897 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.820 -1.985 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.286 -0.615 8.221 1.00 0.00 H new ATOM 395 N GLU A 30 1.910 -1.166 10.254 1.00 0.00 N ATOM 396 CA GLU A 30 0.731 -1.580 11.007 1.00 0.00 C ATOM 397 C GLU A 30 -0.517 -1.531 10.131 1.00 0.00 C ATOM 398 O GLU A 30 -1.359 -2.429 10.178 1.00 0.00 O ATOM 399 CB GLU A 30 0.542 -0.686 12.234 1.00 0.00 C ATOM 400 CG GLU A 30 1.332 -1.144 13.448 1.00 0.00 C ATOM 401 CD GLU A 30 0.661 -2.289 14.182 1.00 0.00 C ATOM 402 OE1 GLU A 30 -0.065 -3.069 13.530 1.00 0.00 O ATOM 403 OE2 GLU A 30 0.862 -2.406 15.409 1.00 0.00 O ATOM 0 H GLU A 30 2.433 -0.398 10.676 1.00 0.00 H new ATOM 0 HA GLU A 30 0.883 -2.608 11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.839 0.332 11.981 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.517 -0.655 12.491 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.328 -1.454 13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.460 -0.305 14.131 1.00 0.00 H new ATOM 410 N THR A 31 -0.632 -0.474 9.332 1.00 0.00 N ATOM 411 CA THR A 31 -1.777 -0.306 8.447 1.00 0.00 C ATOM 412 C THR A 31 -1.769 -1.346 7.332 1.00 0.00 C ATOM 413 O THR A 31 -2.708 -2.130 7.193 1.00 0.00 O ATOM 414 CB THR A 31 -1.801 1.101 7.820 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.544 2.089 8.825 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.144 1.378 7.162 1.00 0.00 C ATOM 0 H THR A 31 0.055 0.278 9.280 1.00 0.00 H new ATOM 0 HA THR A 31 -2.670 -0.439 9.058 1.00 0.00 H new ATOM 0 HB THR A 31 -1.024 1.148 7.057 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.300 2.127 9.447 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.137 2.377 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.324 0.642 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.935 1.314 7.909 1.00 0.00 H new ATOM 424 N PHE A 32 -0.702 -1.348 6.540 1.00 0.00 N ATOM 425 CA PHE A 32 -0.571 -2.293 5.436 1.00 0.00 C ATOM 426 C PHE A 32 -1.087 -3.672 5.837 1.00 0.00 C ATOM 427 O PHE A 32 -2.045 -4.181 5.255 1.00 0.00 O ATOM 428 CB PHE A 32 0.890 -2.391 4.992 1.00 0.00 C ATOM 429 CG PHE A 32 1.410 -1.132 4.360 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.643 -0.433 3.443 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.667 -0.647 4.684 1.00 0.00 C ATOM 432 CE1 PHE A 32 1.120 0.726 2.860 1.00 0.00 C ATOM 433 CE2 PHE A 32 3.150 0.511 4.105 1.00 0.00 C ATOM 434 CZ PHE A 32 2.375 1.199 3.192 1.00 0.00 C ATOM 0 H PHE A 32 0.084 -0.706 6.642 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.172 -1.928 4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.508 -2.637 5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.992 -3.213 4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.339 -0.798 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.277 -1.181 5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.512 1.261 2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.132 0.877 4.366 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.749 2.105 2.738 1.00 0.00 H new ATOM 444 N SER A 33 -0.444 -4.271 6.834 1.00 0.00 N ATOM 445 CA SER A 33 -0.834 -5.593 7.311 1.00 0.00 C ATOM 446 C SER A 33 -2.338 -5.660 7.555 1.00 0.00 C ATOM 447 O SER A 33 -3.005 -6.606 7.135 1.00 0.00 O ATOM 448 CB SER A 33 -0.081 -5.937 8.597 1.00 0.00 C ATOM 449 OG SER A 33 0.023 -7.340 8.767 1.00 0.00 O ATOM 0 H SER A 33 0.350 -3.862 7.327 1.00 0.00 H new ATOM 0 HA SER A 33 -0.576 -6.321 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.915 -5.496 8.568 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.597 -5.501 9.452 1.00 0.00 H new ATOM 0 HG SER A 33 0.510 -7.534 9.595 1.00 0.00 H new ATOM 455 N HIS A 34 -2.866 -4.649 8.238 1.00 0.00 N ATOM 456 CA HIS A 34 -4.293 -4.592 8.539 1.00 0.00 C ATOM 457 C HIS A 34 -5.122 -4.696 7.262 1.00 0.00 C ATOM 458 O HIS A 34 -6.129 -5.403 7.220 1.00 0.00 O ATOM 459 CB HIS A 34 -4.628 -3.295 9.275 1.00 0.00 C ATOM 460 CG HIS A 34 -6.005 -2.780 8.985 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.152 -3.435 9.381 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.415 -1.666 8.334 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.208 -2.747 8.985 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.788 -1.669 8.348 1.00 0.00 N ATOM 0 H HIS A 34 -2.328 -3.859 8.593 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.539 -5.439 9.180 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.529 -3.460 10.348 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.899 -2.533 9.001 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.181 -4.313 9.899 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.780 -0.915 7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.239 -3.020 9.154 1.00 0.00 H new ATOM 472 N CYS A 35 -4.692 -3.986 6.224 1.00 0.00 N ATOM 473 CA CYS A 35 -5.396 -3.997 4.947 1.00 0.00 C ATOM 474 C CYS A 35 -5.258 -5.353 4.262 1.00 0.00 C ATOM 475 O CYS A 35 -6.121 -5.757 3.482 1.00 0.00 O ATOM 476 CB CYS A 35 -4.857 -2.894 4.035 1.00 0.00 C ATOM 477 SG CYS A 35 -4.911 -1.241 4.764 1.00 0.00 S ATOM 0 H CYS A 35 -3.860 -3.396 6.242 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.453 -3.814 5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.826 -3.129 3.769 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.432 -2.890 3.109 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.102 -1.012 5.232 1.00 0.00 H new ATOM 483 N LYS A 36 -4.167 -6.051 4.558 1.00 0.00 N ATOM 484 CA LYS A 36 -3.915 -7.362 3.971 1.00 0.00 C ATOM 485 C LYS A 36 -4.781 -8.430 4.632 1.00 0.00 C ATOM 486 O LYS A 36 -5.010 -9.498 4.062 1.00 0.00 O ATOM 487 CB LYS A 36 -2.436 -7.730 4.112 1.00 0.00 C ATOM 488 CG LYS A 36 -1.507 -6.832 3.314 1.00 0.00 C ATOM 489 CD LYS A 36 -0.049 -7.194 3.542 1.00 0.00 C ATOM 490 CE LYS A 36 0.843 -6.633 2.445 1.00 0.00 C ATOM 491 NZ LYS A 36 0.934 -5.148 2.509 1.00 0.00 N ATOM 0 H LYS A 36 -3.443 -5.731 5.201 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.173 -7.315 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.157 -7.683 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.295 -8.762 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.742 -6.915 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.673 -5.792 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.276 -6.809 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.056 -8.278 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.841 -7.062 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.453 -6.931 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.116 -4.770 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.039 -4.761 2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.711 -4.875 3.145 1.00 0.00 H new ATOM 505 N LEU A 37 -5.260 -8.135 5.835 1.00 0.00 N ATOM 506 CA LEU A 37 -6.103 -9.069 6.573 1.00 0.00 C ATOM 507 C LEU A 37 -7.580 -8.773 6.337 1.00 0.00 C ATOM 508 O LEU A 37 -8.374 -9.681 6.092 1.00 0.00 O ATOM 509 CB LEU A 37 -5.789 -8.998 8.068 1.00 0.00 C ATOM 510 CG LEU A 37 -4.324 -9.204 8.457 1.00 0.00 C ATOM 511 CD1 LEU A 37 -4.005 -8.461 9.745 1.00 0.00 C ATOM 512 CD2 LEU A 37 -4.014 -10.686 8.603 1.00 0.00 C ATOM 0 H LEU A 37 -5.079 -7.256 6.320 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.891 -10.075 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.110 -8.025 8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.389 -9.749 8.581 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.697 -8.799 7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.959 -8.619 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.187 -7.396 9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.640 -8.835 10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.967 -10.813 8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.649 -11.116 9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.203 -11.192 7.656 1.00 0.00 H new ATOM 524 N GLU A 38 -7.942 -7.496 6.411 1.00 0.00 N ATOM 525 CA GLU A 38 -9.324 -7.081 6.204 1.00 0.00 C ATOM 526 C GLU A 38 -9.589 -6.783 4.731 1.00 0.00 C ATOM 527 O GLU A 38 -10.347 -7.493 4.069 1.00 0.00 O ATOM 528 CB GLU A 38 -9.641 -5.845 7.050 1.00 0.00 C ATOM 529 CG GLU A 38 -9.416 -6.052 8.538 1.00 0.00 C ATOM 530 CD GLU A 38 -10.565 -6.783 9.206 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.726 -6.546 8.814 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.301 -7.591 10.121 1.00 0.00 O ATOM 0 H GLU A 38 -7.298 -6.732 6.613 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.972 -7.901 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.023 -5.014 6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.680 -5.558 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.495 -6.616 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.278 -5.084 9.019 1.00 0.00 H new ATOM 539 N HIS A 39 -8.958 -5.729 4.224 1.00 0.00 N ATOM 540 CA HIS A 39 -9.124 -5.337 2.828 1.00 0.00 C ATOM 541 C HIS A 39 -8.348 -6.272 1.905 1.00 0.00 C ATOM 542 O HIS A 39 -8.300 -6.062 0.694 1.00 0.00 O ATOM 543 CB HIS A 39 -8.657 -3.896 2.623 1.00 0.00 C ATOM 544 CG HIS A 39 -9.274 -2.924 3.581 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.618 -2.922 3.891 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.722 -1.919 4.301 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.866 -1.958 4.759 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.732 -1.334 5.024 1.00 0.00 N ATOM 0 H HIS A 39 -8.327 -5.131 4.758 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.183 -5.407 2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.573 -3.856 2.726 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.892 -3.588 1.604 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.312 -3.565 3.509 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.681 -1.631 4.306 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.832 -1.720 5.180 1.00 0.00 H new ATOM 556 N GLN A 40 -7.744 -7.303 2.487 1.00 0.00 N ATOM 557 CA GLN A 40 -6.969 -8.268 1.716 1.00 0.00 C ATOM 558 C GLN A 40 -6.298 -7.598 0.522 1.00 0.00 C ATOM 559 O GLN A 40 -6.235 -8.167 -0.568 1.00 0.00 O ATOM 560 CB GLN A 40 -7.869 -9.409 1.237 1.00 0.00 C ATOM 561 CG GLN A 40 -9.035 -8.945 0.379 1.00 0.00 C ATOM 562 CD GLN A 40 -10.164 -9.955 0.333 1.00 0.00 C ATOM 563 OE1 GLN A 40 -11.236 -9.731 0.897 1.00 0.00 O ATOM 564 NE2 GLN A 40 -9.930 -11.075 -0.340 1.00 0.00 N ATOM 0 H GLN A 40 -7.776 -7.491 3.489 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.193 -8.674 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.269 -10.119 0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.257 -9.943 2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.414 -8.000 0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.682 -8.754 -0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.027 -11.219 -0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.653 -11.791 -0.405 1.00 0.00 H new ATOM 573 N PHE A 41 -5.798 -6.385 0.734 1.00 0.00 N ATOM 574 CA PHE A 41 -5.132 -5.636 -0.326 1.00 0.00 C ATOM 575 C PHE A 41 -3.658 -5.422 0.004 1.00 0.00 C ATOM 576 O PHE A 41 -3.317 -4.917 1.073 1.00 0.00 O ATOM 577 CB PHE A 41 -5.821 -4.286 -0.536 1.00 0.00 C ATOM 578 CG PHE A 41 -4.920 -3.238 -1.122 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.808 -3.091 -2.495 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.184 -2.399 -0.300 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.978 -2.127 -3.037 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.353 -1.434 -0.836 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.251 -1.297 -2.207 1.00 0.00 C ATOM 0 H PHE A 41 -5.841 -5.900 1.630 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.200 -6.217 -1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.680 -4.424 -1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.205 -3.930 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.375 -3.736 -3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.261 -2.501 0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.898 -2.023 -4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.784 -0.788 -0.184 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.604 -0.542 -2.629 1.00 0.00 H new ATOM 593 N ASN A 42 -2.788 -5.810 -0.923 1.00 0.00 N ATOM 594 CA ASN A 42 -1.350 -5.662 -0.732 1.00 0.00 C ATOM 595 C ASN A 42 -0.824 -4.443 -1.483 1.00 0.00 C ATOM 596 O ASN A 42 -1.124 -4.251 -2.662 1.00 0.00 O ATOM 597 CB ASN A 42 -0.619 -6.920 -1.204 1.00 0.00 C ATOM 598 CG ASN A 42 -0.927 -8.127 -0.338 1.00 0.00 C ATOM 599 OD1 ASN A 42 -0.022 -8.785 0.174 1.00 0.00 O ATOM 600 ND2 ASN A 42 -2.211 -8.422 -0.171 1.00 0.00 N ATOM 0 H ASN A 42 -3.054 -6.229 -1.814 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.163 -5.520 0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.900 -7.135 -2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.455 -6.736 -1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.480 -9.222 0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.928 -7.848 -0.615 1.00 0.00 H new ATOM 607 N ILE A 43 -0.038 -3.623 -0.794 1.00 0.00 N ATOM 608 CA ILE A 43 0.531 -2.424 -1.396 1.00 0.00 C ATOM 609 C ILE A 43 1.752 -2.762 -2.245 1.00 0.00 C ATOM 610 O ILE A 43 2.028 -2.099 -3.245 1.00 0.00 O ATOM 611 CB ILE A 43 0.933 -1.392 -0.326 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.501 -0.135 -0.986 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.946 -1.995 0.636 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.452 0.716 -1.667 1.00 0.00 C ATOM 0 H ILE A 43 0.219 -3.767 0.182 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.243 -1.993 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 43 0.044 -1.112 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.009 0.464 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.252 -0.427 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.221 -1.254 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.509 -2.864 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.835 -2.299 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.926 1.590 -2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.040 0.133 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.287 1.039 -0.934 1.00 0.00 H new ATOM 626 N ASP A 44 2.479 -3.797 -1.840 1.00 0.00 N ATOM 627 CA ASP A 44 3.670 -4.226 -2.564 1.00 0.00 C ATOM 628 C ASP A 44 3.328 -4.587 -4.006 1.00 0.00 C ATOM 629 O ASP A 44 4.042 -4.211 -4.936 1.00 0.00 O ATOM 630 CB ASP A 44 4.315 -5.423 -1.865 1.00 0.00 C ATOM 631 CG ASP A 44 3.683 -6.740 -2.271 1.00 0.00 C ATOM 632 OD1 ASP A 44 2.695 -7.149 -1.625 1.00 0.00 O ATOM 633 OD2 ASP A 44 4.176 -7.362 -3.235 1.00 0.00 O ATOM 0 H ASP A 44 2.264 -4.355 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 44 4.378 -3.397 -2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.379 -5.447 -2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.229 -5.299 -0.785 1.00 0.00 H new ATOM 638 N SER A 45 2.233 -5.318 -4.184 1.00 0.00 N ATOM 639 CA SER A 45 1.799 -5.734 -5.513 1.00 0.00 C ATOM 640 C SER A 45 1.672 -4.532 -6.444 1.00 0.00 C ATOM 641 O SER A 45 2.053 -4.596 -7.612 1.00 0.00 O ATOM 642 CB SER A 45 0.461 -6.472 -5.428 1.00 0.00 C ATOM 643 OG SER A 45 -0.514 -5.685 -4.766 1.00 0.00 O ATOM 0 H SER A 45 1.630 -5.635 -3.425 1.00 0.00 H new ATOM 0 HA SER A 45 2.552 -6.408 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.114 -6.719 -6.431 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.595 -7.414 -4.896 1.00 0.00 H new ATOM 0 HG SER A 45 -0.241 -5.540 -3.836 1.00 0.00 H new ATOM 649 N MET A 46 1.133 -3.438 -5.917 1.00 0.00 N ATOM 650 CA MET A 46 0.956 -2.220 -6.700 1.00 0.00 C ATOM 651 C MET A 46 2.305 -1.620 -7.083 1.00 0.00 C ATOM 652 O MET A 46 2.602 -1.439 -8.264 1.00 0.00 O ATOM 653 CB MET A 46 0.134 -1.197 -5.913 1.00 0.00 C ATOM 654 CG MET A 46 -1.201 -1.736 -5.426 1.00 0.00 C ATOM 655 SD MET A 46 -2.177 -2.475 -6.751 1.00 0.00 S ATOM 656 CE MET A 46 -3.139 -1.064 -7.290 1.00 0.00 C ATOM 0 H MET A 46 0.811 -3.369 -4.952 1.00 0.00 H new ATOM 0 HA MET A 46 0.421 -2.479 -7.614 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.715 -0.859 -5.055 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.043 -0.324 -6.542 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.026 -2.481 -4.650 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.770 -0.927 -4.969 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.290 -1.117 -8.368 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.106 -1.070 -6.788 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.607 -0.145 -7.043 1.00 0.00 H new ATOM 666 N VAL A 47 3.118 -1.312 -6.077 1.00 0.00 N ATOM 667 CA VAL A 47 4.436 -0.732 -6.310 1.00 0.00 C ATOM 668 C VAL A 47 5.150 -1.435 -7.458 1.00 0.00 C ATOM 669 O VAL A 47 5.878 -0.807 -8.228 1.00 0.00 O ATOM 670 CB VAL A 47 5.314 -0.812 -5.047 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.682 -0.199 -5.308 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.627 -0.125 -3.877 1.00 0.00 C ATOM 0 H VAL A 47 2.887 -1.454 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 47 4.281 0.315 -6.570 1.00 0.00 H new ATOM 0 HB VAL A 47 5.456 -1.862 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.288 -0.265 -4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.175 -0.740 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.564 0.847 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.261 -0.191 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.453 0.923 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.674 -0.614 -3.677 1.00 0.00 H new ATOM 682 N HIS A 48 4.938 -2.743 -7.568 1.00 0.00 N ATOM 683 CA HIS A 48 5.562 -3.532 -8.624 1.00 0.00 C ATOM 684 C HIS A 48 4.716 -3.506 -9.894 1.00 0.00 C ATOM 685 O HIS A 48 5.244 -3.451 -11.004 1.00 0.00 O ATOM 686 CB HIS A 48 5.762 -4.975 -8.161 1.00 0.00 C ATOM 687 CG HIS A 48 6.788 -5.120 -7.080 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.129 -4.863 -7.275 1.00 0.00 N ATOM 689 CD2 HIS A 48 6.664 -5.497 -5.786 1.00 0.00 C ATOM 690 CE1 HIS A 48 8.785 -5.076 -6.149 1.00 0.00 C ATOM 691 NE2 HIS A 48 7.919 -5.461 -5.229 1.00 0.00 N ATOM 0 H HIS A 48 4.339 -3.278 -6.939 1.00 0.00 H new ATOM 0 HA HIS A 48 6.534 -3.091 -8.846 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.811 -5.368 -7.803 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.057 -5.584 -9.015 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.749 -5.775 -5.285 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.849 -4.956 -6.005 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.145 -5.694 -4.262 1.00 0.00 H new ATOM 699 N LYS A 49 3.399 -3.546 -9.722 1.00 0.00 N ATOM 700 CA LYS A 49 2.478 -3.527 -10.853 1.00 0.00 C ATOM 701 C LYS A 49 2.756 -2.333 -11.760 1.00 0.00 C ATOM 702 O LYS A 49 3.202 -2.495 -12.897 1.00 0.00 O ATOM 703 CB LYS A 49 1.031 -3.479 -10.358 1.00 0.00 C ATOM 704 CG LYS A 49 0.030 -4.050 -11.348 1.00 0.00 C ATOM 705 CD LYS A 49 -0.309 -3.048 -12.439 1.00 0.00 C ATOM 706 CE LYS A 49 -1.041 -3.711 -13.596 1.00 0.00 C ATOM 707 NZ LYS A 49 -0.101 -4.394 -14.528 1.00 0.00 N ATOM 0 H LYS A 49 2.945 -3.592 -8.810 1.00 0.00 H new ATOM 0 HA LYS A 49 2.629 -4.441 -11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.958 -4.031 -9.421 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.764 -2.445 -10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.438 -4.955 -11.798 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.880 -4.338 -10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.927 -2.252 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.606 -2.583 -12.805 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.756 -4.435 -13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.613 -2.961 -14.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.638 -4.833 -15.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.566 -3.699 -14.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.427 -5.128 -14.013 1.00 0.00 H new ATOM 721 N HIS A 50 2.493 -1.134 -11.251 1.00 0.00 N ATOM 722 CA HIS A 50 2.717 0.088 -12.015 1.00 0.00 C ATOM 723 C HIS A 50 4.067 0.708 -11.665 1.00 0.00 C ATOM 724 O HIS A 50 4.258 1.916 -11.794 1.00 0.00 O ATOM 725 CB HIS A 50 1.597 1.094 -11.750 1.00 0.00 C ATOM 726 CG HIS A 50 0.252 0.630 -12.217 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.137 0.661 -13.540 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.797 0.120 -11.530 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.367 0.191 -13.646 1.00 0.00 C ATOM 730 NE2 HIS A 50 -1.791 -0.144 -12.440 1.00 0.00 N ATOM 0 H HIS A 50 2.124 -0.982 -10.312 1.00 0.00 H new ATOM 0 HA HIS A 50 2.719 -0.171 -13.074 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.550 1.300 -10.681 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.840 2.034 -12.245 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.844 -0.048 -10.464 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.930 0.097 -14.563 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.707 -0.535 -12.221 1.00 0.00 H new ATOM 738 N GLY A 51 5.000 -0.129 -11.222 1.00 0.00 N ATOM 739 CA GLY A 51 6.319 0.355 -10.860 1.00 0.00 C ATOM 740 C GLY A 51 6.275 1.720 -10.202 1.00 0.00 C ATOM 741 O GLY A 51 6.751 2.706 -10.767 1.00 0.00 O ATOM 0 H GLY A 51 4.866 -1.134 -11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.790 -0.357 -10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.942 0.405 -11.753 1.00 0.00 H new ATOM 745 N LEU A 52 5.702 1.780 -9.005 1.00 0.00 N ATOM 746 CA LEU A 52 5.595 3.036 -8.270 1.00 0.00 C ATOM 747 C LEU A 52 6.937 3.423 -7.656 1.00 0.00 C ATOM 748 O LEU A 52 7.428 2.757 -6.745 1.00 0.00 O ATOM 749 CB LEU A 52 4.535 2.919 -7.174 1.00 0.00 C ATOM 750 CG LEU A 52 3.152 2.449 -7.625 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.284 2.111 -6.423 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.483 3.510 -8.486 1.00 0.00 C ATOM 0 H LEU A 52 5.304 0.974 -8.523 1.00 0.00 H new ATOM 0 HA LEU A 52 5.299 3.816 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.901 2.229 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.428 3.892 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 52 3.274 1.547 -8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.304 1.778 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.756 1.316 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.169 2.996 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.500 3.158 -8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.374 4.430 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.095 3.703 -9.367 1.00 0.00 H new ATOM 764 N GLU A 53 7.524 4.503 -8.162 1.00 0.00 N ATOM 765 CA GLU A 53 8.808 4.979 -7.661 1.00 0.00 C ATOM 766 C GLU A 53 8.627 5.791 -6.382 1.00 0.00 C ATOM 767 O GLU A 53 7.512 5.947 -5.885 1.00 0.00 O ATOM 768 CB GLU A 53 9.511 5.828 -8.722 1.00 0.00 C ATOM 769 CG GLU A 53 10.178 5.009 -9.815 1.00 0.00 C ATOM 770 CD GLU A 53 9.176 4.339 -10.735 1.00 0.00 C ATOM 771 OE1 GLU A 53 8.284 5.042 -11.253 1.00 0.00 O ATOM 772 OE2 GLU A 53 9.286 3.112 -10.937 1.00 0.00 O ATOM 0 H GLU A 53 7.131 5.064 -8.918 1.00 0.00 H new ATOM 0 HA GLU A 53 9.425 4.110 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.784 6.501 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.262 6.451 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.829 5.656 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.812 4.249 -9.359 1.00 0.00 H new ATOM 779 N PHE A 54 9.733 6.305 -5.853 1.00 0.00 N ATOM 780 CA PHE A 54 9.697 7.099 -4.631 1.00 0.00 C ATOM 781 C PHE A 54 8.420 7.931 -4.559 1.00 0.00 C ATOM 782 O PHE A 54 7.655 7.832 -3.600 1.00 0.00 O ATOM 783 CB PHE A 54 10.920 8.016 -4.558 1.00 0.00 C ATOM 784 CG PHE A 54 10.865 8.999 -3.424 1.00 0.00 C ATOM 785 CD1 PHE A 54 11.374 8.670 -2.178 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.305 10.254 -3.604 1.00 0.00 C ATOM 787 CE1 PHE A 54 11.325 9.572 -1.132 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.254 11.161 -2.562 1.00 0.00 C ATOM 789 CZ PHE A 54 10.763 10.819 -1.325 1.00 0.00 C ATOM 0 H PHE A 54 10.664 6.186 -6.251 1.00 0.00 H new ATOM 0 HA PHE A 54 9.712 6.415 -3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.817 7.405 -4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.012 8.562 -5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.815 7.696 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.904 10.526 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.725 9.302 -0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.816 12.136 -2.715 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.722 11.526 -0.509 1.00 0.00 H new ATOM 799 N TYR A 55 8.196 8.750 -5.581 1.00 0.00 N ATOM 800 CA TYR A 55 7.014 9.601 -5.634 1.00 0.00 C ATOM 801 C TYR A 55 5.805 8.824 -6.146 1.00 0.00 C ATOM 802 O TYR A 55 4.703 8.944 -5.612 1.00 0.00 O ATOM 803 CB TYR A 55 7.272 10.813 -6.530 1.00 0.00 C ATOM 804 CG TYR A 55 7.951 11.960 -5.817 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.292 12.675 -4.824 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.252 12.329 -6.135 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.908 13.724 -4.170 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.877 13.376 -5.485 1.00 0.00 C ATOM 809 CZ TYR A 55 9.201 14.071 -4.504 1.00 0.00 C ATOM 810 OH TYR A 55 9.819 15.114 -3.854 1.00 0.00 O ATOM 0 H TYR A 55 8.818 8.842 -6.384 1.00 0.00 H new ATOM 0 HA TYR A 55 6.800 9.945 -4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.889 10.505 -7.374 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.323 11.161 -6.938 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.280 12.406 -4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.784 11.788 -6.904 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.381 14.270 -3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.889 13.649 -5.744 1.00 0.00 H new ATOM 0 HH TYR A 55 10.726 15.228 -4.207 1.00 0.00 H new ATOM 820 N GLY A 56 6.022 8.023 -7.186 1.00 0.00 N ATOM 821 CA GLY A 56 4.942 7.237 -7.753 1.00 0.00 C ATOM 822 C GLY A 56 4.051 6.623 -6.692 1.00 0.00 C ATOM 823 O GLY A 56 2.832 6.790 -6.723 1.00 0.00 O ATOM 0 H GLY A 56 6.925 7.905 -7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.341 7.870 -8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.361 6.445 -8.374 1.00 0.00 H new ATOM 827 N TYR A 57 4.660 5.910 -5.751 1.00 0.00 N ATOM 828 CA TYR A 57 3.913 5.265 -4.677 1.00 0.00 C ATOM 829 C TYR A 57 3.065 6.281 -3.918 1.00 0.00 C ATOM 830 O TYR A 57 1.882 6.052 -3.665 1.00 0.00 O ATOM 831 CB TYR A 57 4.870 4.561 -3.714 1.00 0.00 C ATOM 832 CG TYR A 57 4.325 4.425 -2.310 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.439 3.405 -1.984 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.694 5.317 -1.311 1.00 0.00 C ATOM 835 CE1 TYR A 57 2.937 3.278 -0.703 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.198 5.196 -0.027 1.00 0.00 C ATOM 837 CZ TYR A 57 3.320 4.175 0.272 1.00 0.00 C ATOM 838 OH TYR A 57 2.823 4.052 1.549 1.00 0.00 O ATOM 0 H TYR A 57 5.669 5.764 -5.710 1.00 0.00 H new ATOM 0 HA TYR A 57 3.248 4.525 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.099 3.569 -4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.808 5.114 -3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.138 2.700 -2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.380 6.119 -1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.248 2.480 -0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.496 5.897 0.738 1.00 0.00 H new ATOM 0 HH TYR A 57 3.406 4.531 2.174 1.00 0.00 H new ATOM 848 N ILE A 58 3.679 7.403 -3.557 1.00 0.00 N ATOM 849 CA ILE A 58 2.981 8.455 -2.828 1.00 0.00 C ATOM 850 C ILE A 58 1.651 8.794 -3.493 1.00 0.00 C ATOM 851 O ILE A 58 0.629 8.941 -2.823 1.00 0.00 O ATOM 852 CB ILE A 58 3.834 9.733 -2.730 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.125 9.452 -1.957 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.043 10.848 -2.063 1.00 0.00 C ATOM 855 CD1 ILE A 58 5.891 10.703 -1.586 1.00 0.00 C ATOM 0 H ILE A 58 4.658 7.607 -3.757 1.00 0.00 H new ATOM 0 HA ILE A 58 2.796 8.074 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 58 4.098 10.054 -3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.882 8.901 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.766 8.808 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.660 11.745 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.150 11.062 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.752 10.538 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.794 10.428 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.165 11.244 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.267 11.339 -0.958 1.00 0.00 H new ATOM 867 N LYS A 59 1.672 8.918 -4.816 1.00 0.00 N ATOM 868 CA LYS A 59 0.468 9.237 -5.574 1.00 0.00 C ATOM 869 C LYS A 59 -0.622 8.199 -5.327 1.00 0.00 C ATOM 870 O LYS A 59 -1.809 8.526 -5.297 1.00 0.00 O ATOM 871 CB LYS A 59 0.787 9.312 -7.069 1.00 0.00 C ATOM 872 CG LYS A 59 1.755 10.425 -7.430 1.00 0.00 C ATOM 873 CD LYS A 59 1.860 10.607 -8.934 1.00 0.00 C ATOM 874 CE LYS A 59 3.077 11.438 -9.312 1.00 0.00 C ATOM 875 NZ LYS A 59 4.291 10.594 -9.490 1.00 0.00 N ATOM 0 H LYS A 59 2.510 8.802 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 59 0.103 10.207 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.207 8.359 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.141 9.455 -7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.426 11.358 -6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.740 10.199 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.920 9.631 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.957 11.091 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.874 11.981 -10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.263 12.183 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.098 11.197 -9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.500 10.095 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.123 9.900 -10.246 1.00 0.00 H new ATOM 889 N LEU A 60 -0.212 6.948 -5.149 1.00 0.00 N ATOM 890 CA LEU A 60 -1.154 5.862 -4.903 1.00 0.00 C ATOM 891 C LEU A 60 -1.857 6.045 -3.562 1.00 0.00 C ATOM 892 O LEU A 60 -3.075 5.887 -3.462 1.00 0.00 O ATOM 893 CB LEU A 60 -0.428 4.515 -4.931 1.00 0.00 C ATOM 894 CG LEU A 60 -1.296 3.280 -4.685 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.457 3.029 -3.194 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.655 3.442 -5.350 1.00 0.00 C ATOM 0 H LEU A 60 0.766 6.661 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.906 5.880 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.057 4.406 -5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.362 4.535 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.798 2.416 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.078 2.146 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.477 2.868 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.932 3.893 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.259 2.554 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.159 4.316 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.521 3.572 -6.424 1.00 0.00 H new ATOM 908 N ILE A 61 -1.084 6.380 -2.535 1.00 0.00 N ATOM 909 CA ILE A 61 -1.634 6.588 -1.201 1.00 0.00 C ATOM 910 C ILE A 61 -2.675 7.703 -1.203 1.00 0.00 C ATOM 911 O ILE A 61 -3.857 7.462 -0.961 1.00 0.00 O ATOM 912 CB ILE A 61 -0.531 6.935 -0.185 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.517 5.820 -0.137 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.133 7.162 1.194 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.006 4.536 0.477 1.00 0.00 C ATOM 0 H ILE A 61 -0.075 6.513 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.107 5.652 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.042 7.856 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.865 5.616 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.379 6.167 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.340 7.406 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.846 7.985 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.645 6.257 1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.802 3.791 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.315 4.725 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.838 4.165 -0.105 1.00 0.00 H new ATOM 927 N ASN A 62 -2.228 8.923 -1.481 1.00 0.00 N ATOM 928 CA ASN A 62 -3.121 10.075 -1.517 1.00 0.00 C ATOM 929 C ASN A 62 -4.332 9.798 -2.403 1.00 0.00 C ATOM 930 O ASN A 62 -5.455 10.180 -2.076 1.00 0.00 O ATOM 931 CB ASN A 62 -2.375 11.310 -2.026 1.00 0.00 C ATOM 932 CG ASN A 62 -1.347 11.815 -1.031 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.617 11.900 0.167 1.00 0.00 O ATOM 934 ND2 ASN A 62 -0.162 12.153 -1.525 1.00 0.00 N ATOM 0 H ASN A 62 -1.252 9.139 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.471 10.263 -0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.879 11.070 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.092 12.103 -2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.569 12.500 -0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.017 12.066 -2.525 1.00 0.00 H new ATOM 941 N PHE A 63 -4.094 9.130 -3.527 1.00 0.00 N ATOM 942 CA PHE A 63 -5.165 8.801 -4.462 1.00 0.00 C ATOM 943 C PHE A 63 -6.350 8.176 -3.733 1.00 0.00 C ATOM 944 O PHE A 63 -7.502 8.540 -3.972 1.00 0.00 O ATOM 945 CB PHE A 63 -4.653 7.844 -5.541 1.00 0.00 C ATOM 946 CG PHE A 63 -5.749 7.133 -6.281 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.516 7.803 -7.221 1.00 0.00 C ATOM 948 CD2 PHE A 63 -6.014 5.795 -6.036 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.526 7.152 -7.904 1.00 0.00 C ATOM 950 CE2 PHE A 63 -7.022 5.139 -6.717 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.779 5.818 -7.651 1.00 0.00 C ATOM 0 H PHE A 63 -3.170 8.806 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.498 9.725 -4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.048 8.404 -6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.999 7.105 -5.079 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.322 8.846 -7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.427 5.259 -5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.116 7.686 -8.634 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.218 4.096 -6.519 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.568 5.307 -8.183 1.00 0.00 H new ATOM 961 N ILE A 64 -6.059 7.232 -2.843 1.00 0.00 N ATOM 962 CA ILE A 64 -7.100 6.556 -2.079 1.00 0.00 C ATOM 963 C ILE A 64 -7.672 7.471 -1.001 1.00 0.00 C ATOM 964 O ILE A 64 -8.827 7.326 -0.599 1.00 0.00 O ATOM 965 CB ILE A 64 -6.569 5.271 -1.417 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.920 4.363 -2.464 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.693 4.541 -0.699 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.186 3.183 -1.868 1.00 0.00 C ATOM 0 H ILE A 64 -5.111 6.919 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.888 6.292 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.813 5.545 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.690 3.996 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.223 4.951 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.301 3.635 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.114 5.188 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.470 4.276 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.751 2.583 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.393 3.542 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.884 2.572 -1.295 1.00 0.00 H new ATOM 980 N ARG A 65 -6.857 8.413 -0.539 1.00 0.00 N ATOM 981 CA ARG A 65 -7.282 9.352 0.492 1.00 0.00 C ATOM 982 C ARG A 65 -8.278 10.362 -0.070 1.00 0.00 C ATOM 983 O ARG A 65 -9.214 10.775 0.617 1.00 0.00 O ATOM 984 CB ARG A 65 -6.072 10.084 1.075 1.00 0.00 C ATOM 985 CG ARG A 65 -4.986 9.153 1.589 1.00 0.00 C ATOM 986 CD ARG A 65 -5.368 8.535 2.925 1.00 0.00 C ATOM 987 NE ARG A 65 -4.198 8.260 3.755 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.267 7.716 4.965 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.444 7.389 5.483 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.158 7.496 5.659 1.00 0.00 N ATOM 0 H ARG A 65 -5.899 8.546 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.772 8.786 1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.649 10.735 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.405 10.726 1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.807 8.363 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.052 9.705 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.040 9.208 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.916 7.609 2.753 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.278 8.499 3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.299 7.555 4.952 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.494 6.971 6.412 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.251 7.745 5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.212 7.078 6.588 1.00 0.00 H new ATOM 1004 N LEU A 66 -8.071 10.757 -1.321 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.951 11.719 -1.976 1.00 0.00 C ATOM 1006 C LEU A 66 -10.136 11.016 -2.629 1.00 0.00 C ATOM 1007 O LEU A 66 -11.292 11.337 -2.351 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.175 12.517 -3.025 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.831 13.813 -3.503 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.774 14.843 -3.869 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.746 13.542 -4.688 1.00 0.00 C ATOM 0 H LEU A 66 -7.301 10.426 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.331 12.402 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.194 12.759 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.010 11.876 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.434 14.214 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.260 15.758 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.159 15.060 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.144 14.450 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.204 14.475 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.165 13.117 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.525 12.839 -4.393 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.842 10.054 -3.497 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.883 9.303 -4.188 1.00 0.00 C ATOM 1025 C LYS A 67 -11.659 8.425 -3.212 1.00 0.00 C ATOM 1026 O LYS A 67 -12.878 8.544 -3.090 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.269 8.437 -5.291 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.846 9.226 -6.518 1.00 0.00 C ATOM 1029 CD LYS A 67 -10.989 9.373 -7.508 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.497 9.875 -8.857 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.449 9.542 -9.953 1.00 0.00 N ATOM 0 H LYS A 67 -8.891 9.776 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.574 10.017 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.402 7.913 -4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.991 7.677 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.497 10.213 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.007 8.726 -7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.487 8.412 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.730 10.065 -7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.357 10.955 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.524 9.436 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.078 9.901 -10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.564 8.510 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.371 9.982 -9.758 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.945 7.544 -2.518 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.568 6.647 -1.552 1.00 0.00 C ATOM 1047 C ASN A 68 -12.321 5.524 -2.259 1.00 0.00 C ATOM 1048 O ASN A 68 -13.467 5.211 -1.935 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.524 7.425 -0.645 1.00 0.00 C ATOM 1050 CG ASN A 68 -12.798 6.703 0.661 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -13.882 6.158 0.865 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.813 6.697 1.551 1.00 0.00 N ATOM 0 H ASN A 68 -9.935 7.432 -2.607 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.779 6.205 -0.943 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.101 8.407 -0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.465 7.590 -1.170 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.939 6.227 2.448 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.931 7.162 1.338 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.662 4.901 -3.248 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.250 3.802 -4.020 1.00 0.00 C ATOM 1061 C PRO A 69 -12.407 2.531 -3.192 1.00 0.00 C ATOM 1062 O PRO A 69 -12.266 2.553 -1.969 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.239 3.583 -5.149 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.946 4.080 -4.602 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.294 5.222 -3.687 1.00 0.00 C ATOM 0 HA PRO A 69 -13.255 4.040 -4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.174 2.530 -5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.525 4.130 -6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.423 3.292 -4.061 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.284 4.410 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.606 5.286 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.253 6.180 -4.206 1.00 0.00 H new ATOM 1073 N THR A 70 -12.700 1.424 -3.867 1.00 0.00 N ATOM 1074 CA THR A 70 -12.878 0.143 -3.194 1.00 0.00 C ATOM 1075 C THR A 70 -11.871 -0.885 -3.695 1.00 0.00 C ATOM 1076 O THR A 70 -11.474 -0.864 -4.860 1.00 0.00 O ATOM 1077 CB THR A 70 -14.302 -0.406 -3.399 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.437 -1.673 -2.745 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.615 -0.559 -4.880 1.00 0.00 C ATOM 0 H THR A 70 -12.819 1.389 -4.879 1.00 0.00 H new ATOM 0 HA THR A 70 -12.715 0.319 -2.131 1.00 0.00 H new ATOM 0 HB THR A 70 -15.007 0.304 -2.966 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.346 -2.015 -2.878 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.626 -0.948 -5.000 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.539 0.412 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.904 -1.250 -5.333 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.462 -1.787 -2.808 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.502 -2.826 -3.162 1.00 0.00 C ATOM 1089 C VAL A 71 -10.834 -3.443 -4.516 1.00 0.00 C ATOM 1090 O VAL A 71 -9.985 -3.504 -5.405 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.464 -3.940 -2.099 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.493 -5.037 -2.509 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.089 -3.366 -0.740 1.00 0.00 C ATOM 0 H VAL A 71 -11.780 -1.819 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.523 -2.349 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.459 -4.379 -2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.480 -5.815 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.809 -5.466 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.493 -4.617 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.067 -4.166 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.105 -2.900 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.826 -2.619 -0.444 1.00 0.00 H new ATOM 1103 N GLU A 72 -12.074 -3.898 -4.665 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.517 -4.510 -5.912 1.00 0.00 C ATOM 1105 C GLU A 72 -12.036 -3.704 -7.116 1.00 0.00 C ATOM 1106 O GLU A 72 -11.717 -4.264 -8.164 1.00 0.00 O ATOM 1107 CB GLU A 72 -14.043 -4.623 -5.937 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.570 -5.889 -5.283 1.00 0.00 C ATOM 1109 CD GLU A 72 -16.076 -6.025 -5.405 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -16.796 -5.329 -4.659 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.533 -6.827 -6.246 1.00 0.00 O ATOM 0 H GLU A 72 -12.789 -3.854 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.085 -5.509 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.471 -3.758 -5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.385 -4.589 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.092 -6.756 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.293 -5.891 -4.229 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.989 -2.386 -6.956 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.550 -1.502 -8.029 1.00 0.00 C ATOM 1120 C TYR A 73 -10.028 -1.467 -8.119 1.00 0.00 C ATOM 1121 O TYR A 73 -9.456 -1.581 -9.202 1.00 0.00 O ATOM 1122 CB TYR A 73 -12.092 -0.089 -7.807 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.410 0.961 -8.655 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -11.742 1.124 -9.995 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.435 1.792 -8.117 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.121 2.081 -10.773 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -9.810 2.753 -8.888 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.156 2.893 -10.215 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.536 3.849 -10.988 1.00 0.00 O ATOM 0 H TYR A 73 -12.249 -1.907 -6.094 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.942 -1.891 -8.969 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.160 -0.081 -8.023 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.977 0.174 -6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.499 0.491 -10.435 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.161 1.685 -7.078 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.390 2.193 -11.813 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.055 3.391 -8.454 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.276 4.607 -10.424 1.00 0.00 H new ATOM 1139 N MET A 74 -9.377 -1.309 -6.970 1.00 0.00 N ATOM 1140 CA MET A 74 -7.921 -1.260 -6.917 1.00 0.00 C ATOM 1141 C MET A 74 -7.312 -2.487 -7.589 1.00 0.00 C ATOM 1142 O MET A 74 -6.138 -2.486 -7.957 1.00 0.00 O ATOM 1143 CB MET A 74 -7.445 -1.169 -5.466 1.00 0.00 C ATOM 1144 CG MET A 74 -7.920 0.083 -4.748 1.00 0.00 C ATOM 1145 SD MET A 74 -7.473 1.596 -5.621 1.00 0.00 S ATOM 1146 CE MET A 74 -5.688 1.457 -5.647 1.00 0.00 C ATOM 0 H MET A 74 -9.835 -1.213 -6.064 1.00 0.00 H new ATOM 0 HA MET A 74 -7.592 -0.371 -7.456 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.796 -2.045 -4.921 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.356 -1.197 -5.447 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.003 0.042 -4.632 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.492 0.107 -3.746 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.247 2.451 -5.712 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.348 0.968 -4.734 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.382 0.867 -6.510 1.00 0.00 H new ATOM 1156 N ASN A 75 -8.118 -3.533 -7.744 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.657 -4.766 -8.371 1.00 0.00 C ATOM 1158 C ASN A 75 -7.647 -4.634 -9.891 1.00 0.00 C ATOM 1159 O ASN A 75 -6.835 -5.258 -10.573 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.549 -5.938 -7.955 1.00 0.00 C ATOM 1161 CG ASN A 75 -8.326 -6.351 -6.513 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -7.222 -6.224 -5.983 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -9.376 -6.850 -5.872 1.00 0.00 N ATOM 0 H ASN A 75 -9.093 -3.551 -7.444 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.638 -4.956 -8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.594 -5.662 -8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.354 -6.789 -8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.287 -7.147 -4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.272 -6.937 -6.351 1.00 0.00 H new ATOM 1170 N SER A 76 -8.556 -3.817 -10.414 1.00 0.00 N ATOM 1171 CA SER A 76 -8.655 -3.605 -11.853 1.00 0.00 C ATOM 1172 C SER A 76 -8.215 -2.192 -12.225 1.00 0.00 C ATOM 1173 O SER A 76 -9.043 -1.294 -12.381 1.00 0.00 O ATOM 1174 CB SER A 76 -10.088 -3.847 -12.328 1.00 0.00 C ATOM 1175 OG SER A 76 -10.427 -5.221 -12.249 1.00 0.00 O ATOM 0 H SER A 76 -9.234 -3.291 -9.863 1.00 0.00 H new ATOM 0 HA SER A 76 -7.992 -4.315 -12.347 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.779 -3.263 -11.720 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.197 -3.501 -13.356 1.00 0.00 H new ATOM 0 HG SER A 76 -11.349 -5.349 -12.557 1.00 0.00 H new ATOM 1181 N ILE A 77 -6.907 -2.004 -12.367 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.357 -0.702 -12.722 1.00 0.00 C ATOM 1183 C ILE A 77 -5.477 -0.797 -13.963 1.00 0.00 C ATOM 1184 O ILE A 77 -4.750 -1.773 -14.149 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.532 -0.105 -11.566 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.402 0.050 -10.317 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -4.939 1.235 -11.975 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -7.436 1.147 -10.432 1.00 0.00 C ATOM 0 H ILE A 77 -6.209 -2.737 -12.242 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.204 -0.048 -12.929 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.713 -0.786 -11.334 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.907 -0.895 -10.117 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.760 0.256 -9.460 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.359 1.644 -11.148 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.290 1.097 -12.840 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.743 1.926 -12.231 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.015 1.199 -9.510 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.937 2.101 -10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.102 0.933 -11.268 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.547 0.224 -14.810 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.757 0.256 -16.035 1.00 0.00 C ATOM 1202 C TYR A 78 -4.059 1.603 -16.198 1.00 0.00 C ATOM 1203 O TYR A 78 -4.258 2.518 -15.401 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.647 -0.019 -17.248 1.00 0.00 C ATOM 1205 CG TYR A 78 -5.878 -1.490 -17.509 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -6.842 -2.198 -16.802 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -5.131 -2.173 -18.460 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -7.056 -3.543 -17.036 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -5.339 -3.517 -18.702 1.00 0.00 C ATOM 1210 CZ TYR A 78 -6.302 -4.198 -17.987 1.00 0.00 C ATOM 1211 OH TYR A 78 -6.511 -5.537 -18.224 1.00 0.00 O ATOM 0 H TYR A 78 -6.143 1.040 -14.671 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.996 -0.522 -15.967 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.610 0.471 -17.100 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.193 0.431 -18.131 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.434 -1.688 -16.057 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.374 -1.644 -19.020 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.809 -4.078 -16.477 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.751 -4.032 -19.447 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.898 -5.845 -18.924 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.239 1.715 -17.239 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.510 2.949 -17.508 1.00 0.00 C ATOM 1223 C ASN A 79 -3.199 3.760 -18.602 1.00 0.00 C ATOM 1224 O ASN A 79 -3.737 3.216 -19.566 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.070 2.636 -17.919 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.474 3.715 -18.803 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.429 4.443 -18.389 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -0.977 3.822 -20.027 1.00 0.00 N ATOM 0 H ASN A 79 -3.063 0.966 -17.909 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.498 3.542 -16.594 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.456 2.522 -17.025 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.045 1.683 -18.447 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.615 4.529 -20.667 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.725 3.197 -20.327 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.181 5.093 -18.450 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.544 5.751 -17.306 1.00 0.00 C ATOM 1237 C PRO A 80 -3.302 5.515 -16.004 1.00 0.00 C ATOM 1238 O PRO A 80 -4.531 5.584 -15.969 1.00 0.00 O ATOM 1239 CB PRO A 80 -2.580 7.234 -17.684 1.00 0.00 C ATOM 1240 CG PRO A 80 -3.728 7.357 -18.625 1.00 0.00 C ATOM 1241 CD PRO A 80 -3.783 6.059 -19.384 1.00 0.00 C ATOM 0 HA PRO A 80 -1.540 5.367 -17.123 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.719 7.863 -16.805 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.647 7.545 -18.154 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.658 7.533 -18.085 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.589 8.200 -19.302 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.807 5.786 -19.640 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.225 6.116 -20.319 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.563 5.235 -14.936 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.166 4.990 -13.631 1.00 0.00 C ATOM 1251 C VAL A 81 -4.035 6.166 -13.198 1.00 0.00 C ATOM 1252 O VAL A 81 -3.812 7.312 -13.589 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.093 4.735 -12.556 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.196 3.576 -12.961 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.275 5.994 -12.312 1.00 0.00 C ATOM 0 H VAL A 81 -1.545 5.172 -14.948 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.788 4.100 -13.731 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.592 4.467 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.444 3.411 -12.189 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.798 2.675 -13.080 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.702 3.810 -13.904 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.521 5.796 -11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.784 6.294 -13.238 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.932 6.795 -11.973 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.051 5.878 -12.371 1.00 0.00 N ATOM 1266 CA PRO A 82 -5.974 6.898 -11.865 1.00 0.00 C ATOM 1267 C PRO A 82 -5.305 7.844 -10.874 1.00 0.00 C ATOM 1268 O PRO A 82 -5.947 8.741 -10.328 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.063 6.078 -11.170 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.393 4.802 -10.790 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.375 4.534 -11.865 1.00 0.00 C ATOM 0 HA PRO A 82 -6.349 7.540 -12.662 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.451 6.597 -10.294 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.908 5.899 -11.835 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.916 4.887 -9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.114 3.987 -10.723 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.494 4.031 -11.467 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.779 3.895 -12.651 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.013 7.638 -10.645 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.258 8.473 -9.719 1.00 0.00 C ATOM 1281 C TRP A 83 -2.050 9.097 -10.409 1.00 0.00 C ATOM 1282 O TRP A 83 -1.057 9.427 -9.763 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.802 7.651 -8.513 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.837 6.561 -8.867 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.495 6.694 -9.085 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.139 5.173 -9.048 1.00 0.00 C ATOM 1287 NE1 TRP A 83 0.055 5.472 -9.389 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -0.932 4.523 -9.372 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.310 4.416 -8.964 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -0.867 3.153 -9.614 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.244 3.057 -9.205 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.029 2.437 -9.526 1.00 0.00 C ATOM 0 H TRP A 83 -3.467 6.900 -11.088 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.913 9.275 -9.377 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.337 8.315 -7.785 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.675 7.211 -8.031 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.053 7.623 -9.027 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.039 5.300 -9.594 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.251 4.885 -8.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 0.068 2.673 -9.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.144 2.463 -9.145 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.010 1.373 -9.708 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.143 9.257 -11.726 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.056 9.841 -12.503 1.00 0.00 C ATOM 1305 C GLU A 84 -1.146 11.364 -12.503 1.00 0.00 C ATOM 1306 O GLU A 84 -0.730 12.022 -13.457 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.088 9.317 -13.940 1.00 0.00 C ATOM 1308 CG GLU A 84 0.010 8.312 -14.246 1.00 0.00 C ATOM 1309 CD GLU A 84 0.521 8.422 -15.669 1.00 0.00 C ATOM 1310 OE1 GLU A 84 1.049 9.495 -16.028 1.00 0.00 O ATOM 1311 OE2 GLU A 84 0.392 7.435 -16.424 1.00 0.00 O ATOM 0 H GLU A 84 -2.959 8.991 -12.276 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.114 9.550 -12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.056 8.853 -14.127 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.000 10.159 -14.627 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.838 8.463 -13.554 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.368 7.304 -14.076 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.691 11.919 -11.426 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.836 13.365 -11.300 1.00 0.00 C ATOM 1320 C LYS A 85 -0.920 13.909 -10.208 1.00 0.00 C ATOM 1321 O LYS A 85 -0.795 13.317 -9.136 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.290 13.727 -10.988 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.289 13.126 -11.961 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.577 14.069 -13.118 1.00 0.00 C ATOM 1325 CE LYS A 85 -3.645 13.813 -14.291 1.00 0.00 C ATOM 1326 NZ LYS A 85 -3.759 14.872 -15.332 1.00 0.00 N ATOM 0 H LYS A 85 -2.040 11.389 -10.627 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.551 13.819 -12.249 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.531 13.391 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.395 14.812 -10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.901 12.183 -12.347 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.217 12.898 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.611 13.946 -13.440 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.468 15.101 -12.784 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.616 13.764 -13.934 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.875 12.843 -14.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.108 14.661 -16.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.734 14.902 -15.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.515 15.794 -14.917 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.283 15.041 -10.488 1.00 0.00 N ATOM 1341 CA ASP A 86 0.620 15.667 -9.528 1.00 0.00 C ATOM 1342 C ASP A 86 -0.114 16.011 -8.236 1.00 0.00 C ATOM 1343 O ASP A 86 0.356 15.699 -7.143 1.00 0.00 O ATOM 1344 CB ASP A 86 1.240 16.930 -10.129 1.00 0.00 C ATOM 1345 CG ASP A 86 0.296 18.115 -10.086 1.00 0.00 C ATOM 1346 OD1 ASP A 86 -0.505 18.269 -11.031 1.00 0.00 O ATOM 1347 OD2 ASP A 86 0.359 18.890 -9.108 1.00 0.00 O ATOM 0 H ASP A 86 -0.375 15.544 -11.371 1.00 0.00 H new ATOM 0 HA ASP A 86 1.413 14.957 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.153 17.177 -9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.526 16.734 -11.162 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.269 16.657 -8.371 1.00 0.00 N ATOM 1353 CA GLU A 87 -2.066 17.044 -7.213 1.00 0.00 C ATOM 1354 C GLU A 87 -1.999 15.977 -6.124 1.00 0.00 C ATOM 1355 O GLU A 87 -1.904 16.290 -4.937 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.521 17.280 -7.623 1.00 0.00 C ATOM 1357 CG GLU A 87 -3.708 18.476 -8.541 1.00 0.00 C ATOM 1358 CD GLU A 87 -3.880 19.775 -7.779 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -2.898 20.232 -7.157 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -4.996 20.335 -7.804 1.00 0.00 O ATOM 0 H GLU A 87 -1.672 16.923 -9.269 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.654 17.971 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.899 16.387 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.124 17.423 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.846 18.559 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.581 18.311 -9.173 1.00 0.00 H new ATOM 1367 N TYR A 88 -2.051 14.715 -6.537 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.999 13.601 -5.599 1.00 0.00 C ATOM 1369 C TYR A 88 -0.724 13.651 -4.763 1.00 0.00 C ATOM 1370 O TYR A 88 -0.756 13.453 -3.547 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.079 12.270 -6.349 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.466 11.940 -6.850 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.547 11.886 -5.978 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.697 11.679 -8.195 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.816 11.583 -6.431 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.963 11.378 -8.657 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.019 11.330 -7.772 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.282 11.029 -8.228 1.00 0.00 O ATOM 0 H TYR A 88 -2.129 14.439 -7.516 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.855 13.684 -4.929 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.393 12.298 -7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.740 11.470 -5.690 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.392 12.084 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.872 11.712 -8.891 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.645 11.544 -5.739 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.125 11.181 -9.706 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.253 10.879 -9.196 1.00 0.00 H new ATOM 1388 N LEU A 89 0.398 13.917 -5.423 1.00 0.00 N ATOM 1389 CA LEU A 89 1.686 13.995 -4.742 1.00 0.00 C ATOM 1390 C LEU A 89 1.541 14.661 -3.377 1.00 0.00 C ATOM 1391 O LEU A 89 2.159 14.239 -2.400 1.00 0.00 O ATOM 1392 CB LEU A 89 2.691 14.769 -5.597 1.00 0.00 C ATOM 1393 CG LEU A 89 3.225 14.040 -6.830 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.944 15.011 -7.754 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.153 12.906 -6.418 1.00 0.00 C ATOM 0 H LEU A 89 0.442 14.082 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 89 2.053 12.979 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.221 15.697 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.537 15.044 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 89 2.380 13.613 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.317 14.474 -8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.251 15.788 -8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.780 15.467 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.524 12.398 -7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.994 13.310 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.607 12.197 -5.796 1.00 0.00 H new ATOM 1407 N LYS A 90 0.720 15.703 -3.318 1.00 0.00 N ATOM 1408 CA LYS A 90 0.490 16.427 -2.073 1.00 0.00 C ATOM 1409 C LYS A 90 -0.148 15.520 -1.026 1.00 0.00 C ATOM 1410 O LYS A 90 -1.042 14.725 -1.320 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.405 17.643 -2.324 1.00 0.00 C ATOM 1412 CG LYS A 90 0.367 18.908 -2.658 1.00 0.00 C ATOM 1413 CD LYS A 90 0.601 19.039 -4.153 1.00 0.00 C ATOM 1414 CE LYS A 90 1.906 18.379 -4.573 1.00 0.00 C ATOM 1415 NZ LYS A 90 3.092 19.168 -4.139 1.00 0.00 N ATOM 0 H LYS A 90 0.202 16.066 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 90 1.455 16.766 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.089 17.418 -3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.016 17.823 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.183 19.777 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.325 18.899 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.229 18.584 -4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.620 20.093 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.960 17.378 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.923 18.265 -5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.932 18.848 -4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.928 20.177 -4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.246 19.032 -3.119 1.00 0.00 H new ATOM 1429 N PRO A 91 0.317 15.640 0.226 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.196 14.840 1.342 1.00 0.00 C ATOM 1431 C PRO A 91 -1.618 15.231 1.729 1.00 0.00 C ATOM 1432 O PRO A 91 -1.829 16.185 2.478 1.00 0.00 O ATOM 1433 CB PRO A 91 0.775 15.158 2.482 1.00 0.00 C ATOM 1434 CG PRO A 91 1.323 16.503 2.150 1.00 0.00 C ATOM 1435 CD PRO A 91 1.381 16.567 0.648 1.00 0.00 C ATOM 0 HA PRO A 91 -0.250 13.780 1.093 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.265 15.165 3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.568 14.413 2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.687 17.293 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.313 16.639 2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.202 17.578 0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.356 16.259 0.270 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.592 14.486 1.215 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.995 14.754 1.508 1.00 0.00 C ATOM 1445 C VAL A 92 -4.209 14.991 2.999 1.00 0.00 C ATOM 1446 O VAL A 92 -5.047 15.801 3.396 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.896 13.592 1.050 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.351 13.878 1.388 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.726 13.343 -0.441 1.00 0.00 C ATOM 0 H VAL A 92 -2.435 13.692 0.594 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.267 15.654 0.957 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.595 12.690 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.972 13.046 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.456 14.003 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.669 14.791 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.370 12.519 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.999 14.242 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.687 13.090 -0.651 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.446 14.280 3.821 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.550 14.412 5.270 1.00 0.00 C ATOM 1461 C LEU A 93 -2.301 15.069 5.849 1.00 0.00 C ATOM 1462 O LEU A 93 -1.413 15.492 5.110 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.765 13.041 5.914 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.700 12.089 5.168 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.912 11.211 4.207 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.485 11.234 6.152 1.00 0.00 C ATOM 0 H LEU A 93 -2.748 13.605 3.509 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.407 15.048 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.795 12.556 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.159 13.192 6.919 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.407 12.683 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.594 10.540 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.395 11.839 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.182 10.624 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.146 10.562 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.793 10.649 6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.079 11.878 6.800 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.240 15.148 7.174 1.00 0.00 N ATOM 1479 CA GLU A 94 -1.099 15.752 7.851 1.00 0.00 C ATOM 1480 C GLU A 94 -0.262 14.690 8.559 1.00 0.00 C ATOM 1481 O GLU A 94 -0.797 13.816 9.242 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.572 16.800 8.860 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.582 17.935 9.068 1.00 0.00 C ATOM 1484 CD GLU A 94 -1.144 19.048 9.931 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.911 18.743 10.868 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -0.815 20.224 9.669 1.00 0.00 O ATOM 0 H GLU A 94 -2.967 14.801 7.800 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.478 16.238 7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.522 17.215 8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.759 16.313 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.323 17.542 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.293 18.342 8.099 1.00 0.00 H new ATOM 1493 N ASP A 95 1.053 14.772 8.390 1.00 0.00 N ATOM 1494 CA ASP A 95 1.965 13.820 9.013 1.00 0.00 C ATOM 1495 C ASP A 95 1.745 12.415 8.459 1.00 0.00 C ATOM 1496 O ASP A 95 1.667 11.445 9.212 1.00 0.00 O ATOM 1497 CB ASP A 95 1.776 13.817 10.531 1.00 0.00 C ATOM 1498 CG ASP A 95 2.976 13.249 11.262 1.00 0.00 C ATOM 1499 OD1 ASP A 95 3.941 14.006 11.499 1.00 0.00 O ATOM 1500 OD2 ASP A 95 2.950 12.046 11.599 1.00 0.00 O ATOM 0 H ASP A 95 1.511 15.488 7.827 1.00 0.00 H new ATOM 0 HA ASP A 95 2.985 14.128 8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.594 14.836 10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.891 13.233 10.783 1.00 0.00 H new ATOM 1505 N ASP A 96 1.645 12.315 7.138 1.00 0.00 N ATOM 1506 CA ASP A 96 1.434 11.030 6.482 1.00 0.00 C ATOM 1507 C ASP A 96 2.691 10.169 6.557 1.00 0.00 C ATOM 1508 O ASP A 96 3.657 10.397 5.829 1.00 0.00 O ATOM 1509 CB ASP A 96 1.031 11.238 5.022 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.335 11.882 4.885 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -0.433 13.112 5.074 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.307 11.155 4.589 1.00 0.00 O ATOM 0 H ASP A 96 1.707 13.109 6.500 1.00 0.00 H new ATOM 0 HA ASP A 96 0.628 10.513 7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.775 11.863 4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.030 10.277 4.508 1.00 0.00 H new ATOM 1517 N LEU A 97 2.671 9.179 7.444 1.00 0.00 N ATOM 1518 CA LEU A 97 3.810 8.284 7.616 1.00 0.00 C ATOM 1519 C LEU A 97 3.977 7.376 6.401 1.00 0.00 C ATOM 1520 O LEU A 97 5.095 7.121 5.952 1.00 0.00 O ATOM 1521 CB LEU A 97 3.633 7.438 8.878 1.00 0.00 C ATOM 1522 CG LEU A 97 3.237 8.198 10.145 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.732 7.236 11.209 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.413 9.008 10.671 1.00 0.00 C ATOM 0 H LEU A 97 1.879 8.976 8.054 1.00 0.00 H new ATOM 0 HA LEU A 97 4.708 8.894 7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.874 6.681 8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.567 6.910 9.072 1.00 0.00 H new ATOM 0 HG LEU A 97 2.430 8.887 9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.455 7.795 12.103 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.861 6.701 10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.518 6.522 11.456 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.113 9.542 11.573 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.241 8.338 10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.729 9.725 9.913 1.00 0.00 H new ATOM 1536 N LEU A 98 2.859 6.892 5.873 1.00 0.00 N ATOM 1537 CA LEU A 98 2.880 6.014 4.708 1.00 0.00 C ATOM 1538 C LEU A 98 3.760 6.594 3.605 1.00 0.00 C ATOM 1539 O LEU A 98 4.505 5.869 2.945 1.00 0.00 O ATOM 1540 CB LEU A 98 1.460 5.797 4.182 1.00 0.00 C ATOM 1541 CG LEU A 98 0.478 5.139 5.153 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -0.930 5.155 4.580 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.912 3.715 5.468 1.00 0.00 C ATOM 0 H LEU A 98 1.926 7.092 6.233 1.00 0.00 H new ATOM 0 HA LEU A 98 3.298 5.055 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.053 6.763 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.517 5.184 3.283 1.00 0.00 H new ATOM 0 HG LEU A 98 0.477 5.710 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.615 4.683 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.241 6.185 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.945 4.608 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.202 3.263 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.943 3.132 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.903 3.729 5.922 1.00 0.00 H new ATOM 1555 N LEU A 99 3.670 7.905 3.412 1.00 0.00 N ATOM 1556 CA LEU A 99 4.459 8.584 2.390 1.00 0.00 C ATOM 1557 C LEU A 99 5.949 8.505 2.711 1.00 0.00 C ATOM 1558 O LEU A 99 6.790 8.589 1.817 1.00 0.00 O ATOM 1559 CB LEU A 99 4.029 10.047 2.274 1.00 0.00 C ATOM 1560 CG LEU A 99 2.573 10.288 1.871 1.00 0.00 C ATOM 1561 CD1 LEU A 99 2.412 11.670 1.255 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.103 9.213 0.903 1.00 0.00 C ATOM 0 H LEU A 99 3.059 8.519 3.950 1.00 0.00 H new ATOM 0 HA LEU A 99 4.283 8.083 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.205 10.534 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.673 10.538 1.544 1.00 0.00 H new ATOM 0 HG LEU A 99 1.954 10.237 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.370 11.824 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.709 12.428 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.042 11.749 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.065 9.400 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.725 9.232 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.181 8.236 1.379 1.00 0.00 H new ATOM 1574 N GLN A 100 6.265 8.339 3.991 1.00 0.00 N ATOM 1575 CA GLN A 100 7.653 8.247 4.429 1.00 0.00 C ATOM 1576 C GLN A 100 8.016 6.809 4.786 1.00 0.00 C ATOM 1577 O GLN A 100 8.882 6.568 5.627 1.00 0.00 O ATOM 1578 CB GLN A 100 7.893 9.160 5.632 1.00 0.00 C ATOM 1579 CG GLN A 100 6.769 9.125 6.655 1.00 0.00 C ATOM 1580 CD GLN A 100 6.991 10.096 7.798 1.00 0.00 C ATOM 1581 OE1 GLN A 100 7.073 9.697 8.960 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.089 11.380 7.474 1.00 0.00 N ATOM 0 H GLN A 100 5.579 8.265 4.743 1.00 0.00 H new ATOM 0 HA GLN A 100 8.290 8.570 3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.825 8.870 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.022 10.184 5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.826 9.360 6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 100 6.677 8.115 7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.015 11.667 6.498 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.238 12.080 8.201 1.00 0.00 H new ATOM 1591 N PHE A 101 7.349 5.858 4.142 1.00 0.00 N ATOM 1592 CA PHE A 101 7.600 4.444 4.393 1.00 0.00 C ATOM 1593 C PHE A 101 8.694 3.914 3.471 1.00 0.00 C ATOM 1594 O PHE A 101 8.765 4.282 2.298 1.00 0.00 O ATOM 1595 CB PHE A 101 6.317 3.633 4.199 1.00 0.00 C ATOM 1596 CG PHE A 101 6.564 2.187 3.876 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.723 1.774 2.563 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.638 1.241 4.885 1.00 0.00 C ATOM 1599 CE1 PHE A 101 6.950 0.445 2.263 1.00 0.00 C ATOM 1600 CE2 PHE A 101 6.864 -0.090 4.591 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.022 -0.489 3.279 1.00 0.00 C ATOM 0 H PHE A 101 6.630 6.041 3.442 1.00 0.00 H new ATOM 0 HA PHE A 101 7.935 4.338 5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.716 3.697 5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.731 4.081 3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.669 2.500 1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.518 1.547 5.914 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.071 0.136 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 101 6.917 -0.818 5.387 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.201 -1.528 3.047 1.00 0.00 H new ATOM 1611 N ASP A 102 9.545 3.048 4.009 1.00 0.00 N ATOM 1612 CA ASP A 102 10.636 2.466 3.236 1.00 0.00 C ATOM 1613 C ASP A 102 10.098 1.682 2.043 1.00 0.00 C ATOM 1614 O ASP A 102 9.854 0.479 2.137 1.00 0.00 O ATOM 1615 CB ASP A 102 11.487 1.553 4.120 1.00 0.00 C ATOM 1616 CG ASP A 102 10.645 0.661 5.011 1.00 0.00 C ATOM 1617 OD1 ASP A 102 10.049 -0.304 4.489 1.00 0.00 O ATOM 1618 OD2 ASP A 102 10.581 0.928 6.229 1.00 0.00 O ATOM 0 H ASP A 102 9.501 2.733 4.978 1.00 0.00 H new ATOM 0 HA ASP A 102 11.258 3.280 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.125 0.934 3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.146 2.162 4.739 1.00 0.00 H new ATOM 1623 N VAL A 103 9.915 2.371 0.921 1.00 0.00 N ATOM 1624 CA VAL A 103 9.406 1.740 -0.290 1.00 0.00 C ATOM 1625 C VAL A 103 10.547 1.274 -1.188 1.00 0.00 C ATOM 1626 O VAL A 103 10.406 0.306 -1.934 1.00 0.00 O ATOM 1627 CB VAL A 103 8.502 2.699 -1.086 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.316 3.849 -1.660 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.771 1.950 -2.189 1.00 0.00 C ATOM 0 H VAL A 103 10.112 3.367 0.826 1.00 0.00 H new ATOM 0 HA VAL A 103 8.819 0.877 0.026 1.00 0.00 H new ATOM 0 HB VAL A 103 7.758 3.116 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.660 4.516 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.788 4.402 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.084 3.455 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.137 2.644 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.497 1.503 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.154 1.166 -1.750 1.00 0.00 H new ATOM 1639 N GLU A 104 11.678 1.969 -1.108 1.00 0.00 N ATOM 1640 CA GLU A 104 12.843 1.625 -1.914 1.00 0.00 C ATOM 1641 C GLU A 104 13.237 0.165 -1.707 1.00 0.00 C ATOM 1642 O GLU A 104 13.638 -0.520 -2.648 1.00 0.00 O ATOM 1643 CB GLU A 104 14.021 2.537 -1.563 1.00 0.00 C ATOM 1644 CG GLU A 104 13.738 4.012 -1.795 1.00 0.00 C ATOM 1645 CD GLU A 104 12.913 4.630 -0.683 1.00 0.00 C ATOM 1646 OE1 GLU A 104 13.161 4.299 0.495 1.00 0.00 O ATOM 1647 OE2 GLU A 104 12.018 5.445 -0.992 1.00 0.00 O ATOM 0 H GLU A 104 11.812 2.772 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 104 12.582 1.767 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.287 2.387 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.886 2.244 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.682 4.550 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.212 4.133 -2.742 1.00 0.00 H new ATOM 1654 N ASP A 105 13.119 -0.303 -0.470 1.00 0.00 N ATOM 1655 CA ASP A 105 13.462 -1.681 -0.138 1.00 0.00 C ATOM 1656 C ASP A 105 12.698 -2.659 -1.025 1.00 0.00 C ATOM 1657 O ASP A 105 13.188 -3.747 -1.333 1.00 0.00 O ATOM 1658 CB ASP A 105 13.158 -1.964 1.334 1.00 0.00 C ATOM 1659 CG ASP A 105 14.280 -1.520 2.253 1.00 0.00 C ATOM 1660 OD1 ASP A 105 15.448 -1.851 1.965 1.00 0.00 O ATOM 1661 OD2 ASP A 105 13.988 -0.841 3.260 1.00 0.00 O ATOM 0 H ASP A 105 12.788 0.251 0.320 1.00 0.00 H new ATOM 0 HA ASP A 105 14.529 -1.817 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.237 -1.453 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.984 -3.032 1.467 1.00 0.00 H new ATOM 1666 N LEU A 106 11.496 -2.267 -1.431 1.00 0.00 N ATOM 1667 CA LEU A 106 10.663 -3.110 -2.283 1.00 0.00 C ATOM 1668 C LEU A 106 11.307 -3.306 -3.651 1.00 0.00 C ATOM 1669 O LEU A 106 11.224 -4.385 -4.239 1.00 0.00 O ATOM 1670 CB LEU A 106 9.274 -2.491 -2.444 1.00 0.00 C ATOM 1671 CG LEU A 106 8.530 -2.165 -1.148 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.128 -1.660 -1.451 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.474 -3.388 -0.244 1.00 0.00 C ATOM 0 H LEU A 106 11.076 -1.371 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 106 10.566 -4.085 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.372 -1.573 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.659 -3.174 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 106 9.074 -1.377 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.613 -1.433 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.190 -0.758 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.574 -2.427 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.941 -3.138 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.953 -4.196 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.487 -3.707 0.000 1.00 0.00 H new ATOM 1685 N TYR A 107 11.951 -2.257 -4.152 1.00 0.00 N ATOM 1686 CA TYR A 107 12.609 -2.314 -5.452 1.00 0.00 C ATOM 1687 C TYR A 107 13.699 -3.381 -5.465 1.00 0.00 C ATOM 1688 O TYR A 107 14.695 -3.274 -4.749 1.00 0.00 O ATOM 1689 CB TYR A 107 13.209 -0.951 -5.803 1.00 0.00 C ATOM 1690 CG TYR A 107 12.232 0.194 -5.665 1.00 0.00 C ATOM 1691 CD1 TYR A 107 10.876 0.010 -5.907 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.665 1.461 -5.294 1.00 0.00 C ATOM 1693 CE1 TYR A 107 9.980 1.054 -5.783 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.776 2.511 -5.166 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.434 2.302 -5.411 1.00 0.00 C ATOM 1696 OH TYR A 107 9.546 3.345 -5.286 1.00 0.00 O ATOM 0 H TYR A 107 12.031 -1.358 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 107 11.860 -2.577 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.068 -0.765 -5.158 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.580 -0.980 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.516 -0.966 -6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.715 1.628 -5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.930 0.894 -5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.129 3.490 -4.876 1.00 0.00 H new ATOM 0 HH TYR A 107 8.704 3.113 -5.732 1.00 0.00 H new ATOM 1706 N GLU A 108 13.502 -4.409 -6.284 1.00 0.00 N ATOM 1707 CA GLU A 108 14.468 -5.496 -6.390 1.00 0.00 C ATOM 1708 C GLU A 108 15.845 -4.965 -6.780 1.00 0.00 C ATOM 1709 O GLU A 108 16.055 -4.466 -7.886 1.00 0.00 O ATOM 1710 CB GLU A 108 13.998 -6.528 -7.417 1.00 0.00 C ATOM 1711 CG GLU A 108 14.875 -7.767 -7.481 1.00 0.00 C ATOM 1712 CD GLU A 108 14.769 -8.489 -8.811 1.00 0.00 C ATOM 1713 OE1 GLU A 108 13.650 -8.554 -9.362 1.00 0.00 O ATOM 1714 OE2 GLU A 108 15.803 -8.989 -9.299 1.00 0.00 O ATOM 0 H GLU A 108 12.683 -4.512 -6.883 1.00 0.00 H new ATOM 0 HA GLU A 108 14.545 -5.975 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.978 -6.828 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.971 -6.062 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 108 15.913 -7.482 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.594 -8.449 -6.678 1.00 0.00 H new ATOM 1721 N PRO A 109 16.805 -5.074 -5.851 1.00 0.00 N ATOM 1722 CA PRO A 109 18.178 -4.610 -6.073 1.00 0.00 C ATOM 1723 C PRO A 109 18.924 -5.472 -7.086 1.00 0.00 C ATOM 1724 O PRO A 109 19.562 -6.461 -6.725 1.00 0.00 O ATOM 1725 CB PRO A 109 18.823 -4.732 -4.690 1.00 0.00 C ATOM 1726 CG PRO A 109 18.033 -5.788 -3.996 1.00 0.00 C ATOM 1727 CD PRO A 109 16.626 -5.659 -4.511 1.00 0.00 C ATOM 0 HA PRO A 109 18.205 -3.600 -6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 109 19.874 -5.010 -4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 109 18.782 -3.787 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.436 -6.779 -4.206 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.067 -5.653 -2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 109 16.125 -6.626 -4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.021 -5.018 -3.870 1.00 0.00 H new ATOM 1735 N VAL A 110 18.840 -5.091 -8.357 1.00 0.00 N ATOM 1736 CA VAL A 110 19.509 -5.828 -9.422 1.00 0.00 C ATOM 1737 C VAL A 110 20.882 -5.237 -9.722 1.00 0.00 C ATOM 1738 O VAL A 110 21.005 -4.289 -10.498 1.00 0.00 O ATOM 1739 CB VAL A 110 18.670 -5.831 -10.714 1.00 0.00 C ATOM 1740 CG1 VAL A 110 19.403 -6.568 -11.825 1.00 0.00 C ATOM 1741 CG2 VAL A 110 17.305 -6.453 -10.461 1.00 0.00 C ATOM 0 H VAL A 110 18.315 -4.276 -8.674 1.00 0.00 H new ATOM 0 HA VAL A 110 19.627 -6.853 -9.071 1.00 0.00 H new ATOM 0 HB VAL A 110 18.521 -4.799 -11.032 1.00 0.00 H new ATOM 0 HG11 VAL A 110 18.795 -6.560 -12.730 1.00 0.00 H new ATOM 0 HG12 VAL A 110 20.355 -6.075 -12.023 1.00 0.00 H new ATOM 0 HG13 VAL A 110 19.585 -7.598 -11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 110 16.726 -6.447 -11.384 1.00 0.00 H new ATOM 0 HG22 VAL A 110 17.431 -7.480 -10.118 1.00 0.00 H new ATOM 0 HG23 VAL A 110 16.779 -5.878 -9.699 1.00 0.00 H new ATOM 1751 N SER A 111 21.912 -5.803 -9.102 1.00 0.00 N ATOM 1752 CA SER A 111 23.277 -5.330 -9.300 1.00 0.00 C ATOM 1753 C SER A 111 24.274 -6.233 -8.580 1.00 0.00 C ATOM 1754 O SER A 111 23.894 -7.072 -7.762 1.00 0.00 O ATOM 1755 CB SER A 111 23.419 -3.892 -8.797 1.00 0.00 C ATOM 1756 OG SER A 111 24.669 -3.341 -9.174 1.00 0.00 O ATOM 0 H SER A 111 21.827 -6.590 -8.458 1.00 0.00 H new ATOM 0 HA SER A 111 23.494 -5.357 -10.368 1.00 0.00 H new ATOM 0 HB2 SER A 111 22.612 -3.281 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 111 23.322 -3.872 -7.712 1.00 0.00 H new ATOM 0 HG SER A 111 24.734 -2.421 -8.842 1.00 0.00 H new ATOM 1762 N THR A 112 25.555 -6.055 -8.890 1.00 0.00 N ATOM 1763 CA THR A 112 26.608 -6.853 -8.275 1.00 0.00 C ATOM 1764 C THR A 112 26.902 -6.377 -6.857 1.00 0.00 C ATOM 1765 O THR A 112 26.905 -5.180 -6.566 1.00 0.00 O ATOM 1766 CB THR A 112 27.907 -6.801 -9.101 1.00 0.00 C ATOM 1767 OG1 THR A 112 28.370 -5.450 -9.202 1.00 0.00 O ATOM 1768 CG2 THR A 112 27.686 -7.372 -10.493 1.00 0.00 C ATOM 0 H THR A 112 25.888 -5.365 -9.564 1.00 0.00 H new ATOM 0 HA THR A 112 26.247 -7.881 -8.243 1.00 0.00 H new ATOM 0 HB THR A 112 28.659 -7.405 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 112 29.197 -5.426 -9.727 1.00 0.00 H new ATOM 0 HG21 THR A 112 28.617 -7.325 -11.058 1.00 0.00 H new ATOM 0 HG22 THR A 112 27.362 -8.410 -10.413 1.00 0.00 H new ATOM 0 HG23 THR A 112 26.920 -6.791 -11.007 1.00 0.00 H new ATOM 1776 N PRO A 113 27.155 -7.333 -5.951 1.00 0.00 N ATOM 1777 CA PRO A 113 27.456 -7.035 -4.548 1.00 0.00 C ATOM 1778 C PRO A 113 28.819 -6.373 -4.375 1.00 0.00 C ATOM 1779 O PRO A 113 29.222 -6.040 -3.260 1.00 0.00 O ATOM 1780 CB PRO A 113 27.442 -8.413 -3.881 1.00 0.00 C ATOM 1781 CG PRO A 113 27.764 -9.367 -4.979 1.00 0.00 C ATOM 1782 CD PRO A 113 27.168 -8.779 -6.227 1.00 0.00 C ATOM 0 HA PRO A 113 26.742 -6.332 -4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 113 28.176 -8.472 -3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 113 26.469 -8.630 -3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 113 28.842 -9.493 -5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 113 27.346 -10.353 -4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 113 27.766 -9.015 -7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 113 26.164 -9.162 -6.412 1.00 0.00 H new ATOM 1790 N PHE A 114 29.525 -6.186 -5.485 1.00 0.00 N ATOM 1791 CA PHE A 114 30.844 -5.564 -5.456 1.00 0.00 C ATOM 1792 C PHE A 114 30.733 -4.064 -5.196 1.00 0.00 C ATOM 1793 O PHE A 114 30.224 -3.315 -6.029 1.00 0.00 O ATOM 1794 CB PHE A 114 31.577 -5.811 -6.776 1.00 0.00 C ATOM 1795 CG PHE A 114 32.051 -7.226 -6.943 1.00 0.00 C ATOM 1796 CD1 PHE A 114 32.944 -7.782 -6.041 1.00 0.00 C ATOM 1797 CD2 PHE A 114 31.603 -8.001 -8.001 1.00 0.00 C ATOM 1798 CE1 PHE A 114 33.383 -9.084 -6.193 1.00 0.00 C ATOM 1799 CE2 PHE A 114 32.038 -9.303 -8.158 1.00 0.00 C ATOM 1800 CZ PHE A 114 32.928 -9.846 -7.252 1.00 0.00 C ATOM 0 H PHE A 114 29.206 -6.456 -6.416 1.00 0.00 H new ATOM 0 HA PHE A 114 31.413 -6.015 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 114 30.914 -5.558 -7.603 1.00 0.00 H new ATOM 0 HB3 PHE A 114 32.434 -5.140 -6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 114 33.301 -7.192 -5.210 1.00 0.00 H new ATOM 0 HD2 PHE A 114 30.905 -7.582 -8.711 1.00 0.00 H new ATOM 0 HE1 PHE A 114 34.081 -9.505 -5.485 1.00 0.00 H new ATOM 0 HE2 PHE A 114 31.683 -9.895 -8.988 1.00 0.00 H new ATOM 0 HZ PHE A 114 33.268 -10.864 -7.371 1.00 0.00 H new ATOM 1810 N SER A 115 31.212 -3.634 -4.033 1.00 0.00 N ATOM 1811 CA SER A 115 31.163 -2.226 -3.660 1.00 0.00 C ATOM 1812 C SER A 115 32.448 -1.511 -4.066 1.00 0.00 C ATOM 1813 O SER A 115 33.549 -1.960 -3.745 1.00 0.00 O ATOM 1814 CB SER A 115 30.940 -2.083 -2.153 1.00 0.00 C ATOM 1815 OG SER A 115 30.359 -0.829 -1.840 1.00 0.00 O ATOM 0 H SER A 115 31.638 -4.241 -3.333 1.00 0.00 H new ATOM 0 HA SER A 115 30.329 -1.765 -4.189 1.00 0.00 H new ATOM 0 HB2 SER A 115 30.292 -2.886 -1.800 1.00 0.00 H new ATOM 0 HB3 SER A 115 31.891 -2.188 -1.630 1.00 0.00 H new ATOM 0 HG SER A 115 30.225 -0.763 -0.871 1.00 0.00 H new ATOM 1821 N SER A 116 32.300 -0.396 -4.773 1.00 0.00 N ATOM 1822 CA SER A 116 33.448 0.380 -5.227 1.00 0.00 C ATOM 1823 C SER A 116 33.866 1.400 -4.172 1.00 0.00 C ATOM 1824 O SER A 116 35.017 1.427 -3.739 1.00 0.00 O ATOM 1825 CB SER A 116 33.122 1.093 -6.541 1.00 0.00 C ATOM 1826 OG SER A 116 31.994 1.938 -6.396 1.00 0.00 O ATOM 0 H SER A 116 31.396 -0.009 -5.044 1.00 0.00 H new ATOM 0 HA SER A 116 34.277 -0.308 -5.391 1.00 0.00 H new ATOM 0 HB2 SER A 116 33.982 1.681 -6.863 1.00 0.00 H new ATOM 0 HB3 SER A 116 32.930 0.356 -7.321 1.00 0.00 H new ATOM 0 HG SER A 116 31.807 2.383 -7.249 1.00 0.00 H new ATOM 1832 N GLY A 117 32.919 2.240 -3.762 1.00 0.00 N ATOM 1833 CA GLY A 117 33.207 3.251 -2.761 1.00 0.00 C ATOM 1834 C GLY A 117 32.416 4.525 -2.981 1.00 0.00 C ATOM 1835 O GLY A 117 32.958 5.557 -3.378 1.00 0.00 O ATOM 0 H GLY A 117 31.958 2.238 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 117 32.982 2.853 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 117 34.272 3.481 -2.777 1.00 0.00 H new ATOM 1839 N PRO A 118 31.102 4.463 -2.721 1.00 0.00 N ATOM 1840 CA PRO A 118 30.207 5.612 -2.887 1.00 0.00 C ATOM 1841 C PRO A 118 30.460 6.699 -1.848 1.00 0.00 C ATOM 1842 O PRO A 118 29.924 7.802 -1.947 1.00 0.00 O ATOM 1843 CB PRO A 118 28.813 5.006 -2.699 1.00 0.00 C ATOM 1844 CG PRO A 118 29.036 3.798 -1.857 1.00 0.00 C ATOM 1845 CD PRO A 118 30.388 3.266 -2.246 1.00 0.00 C ATOM 0 HA PRO A 118 30.347 6.102 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 118 28.138 5.709 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 118 28.363 4.744 -3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 118 29.006 4.050 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 118 28.259 3.053 -2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 118 30.897 2.804 -1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 118 30.312 2.508 -3.025 1.00 0.00 H new ATOM 1853 N SER A 119 31.280 6.379 -0.852 1.00 0.00 N ATOM 1854 CA SER A 119 31.602 7.328 0.208 1.00 0.00 C ATOM 1855 C SER A 119 32.384 8.515 -0.345 1.00 0.00 C ATOM 1856 O SER A 119 33.434 8.346 -0.965 1.00 0.00 O ATOM 1857 CB SER A 119 32.409 6.639 1.310 1.00 0.00 C ATOM 1858 OG SER A 119 31.749 5.474 1.773 1.00 0.00 O ATOM 0 H SER A 119 31.733 5.470 -0.757 1.00 0.00 H new ATOM 0 HA SER A 119 30.667 7.696 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 119 33.396 6.375 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 119 32.560 7.329 2.140 1.00 0.00 H new ATOM 0 HG SER A 119 32.286 5.051 2.475 1.00 0.00 H new ATOM 1864 N SER A 120 31.865 9.717 -0.115 1.00 0.00 N ATOM 1865 CA SER A 120 32.512 10.933 -0.593 1.00 0.00 C ATOM 1866 C SER A 120 33.649 11.345 0.337 1.00 0.00 C ATOM 1867 O SER A 120 34.780 11.550 -0.101 1.00 0.00 O ATOM 1868 CB SER A 120 31.492 12.068 -0.704 1.00 0.00 C ATOM 1869 OG SER A 120 32.069 13.215 -1.303 1.00 0.00 O ATOM 0 H SER A 120 30.998 9.875 0.399 1.00 0.00 H new ATOM 0 HA SER A 120 32.929 10.730 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 120 30.637 11.737 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 120 31.116 12.322 0.287 1.00 0.00 H new ATOM 0 HG SER A 120 31.397 13.925 -1.364 1.00 0.00 H new ATOM 1875 N GLY A 121 33.339 11.463 1.624 1.00 0.00 N ATOM 1876 CA GLY A 121 34.345 11.849 2.597 1.00 0.00 C ATOM 1877 C GLY A 121 33.755 12.109 3.969 1.00 0.00 C ATOM 1878 O GLY A 121 32.782 12.855 4.071 1.00 0.00 O ATOM 0 H GLY A 121 32.410 11.298 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 121 35.095 11.062 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 121 34.857 12.746 2.249 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.438 -0.242 6.627 1.00 0.00 ZN