USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 924 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 MET CE :methyl -156:sc= -1.87 (180deg=-2.5!) USER MOD Set 1.2: A 42 SER OG : rot 180:sc= -0.0147 USER MOD Set 2.1: A 9 THR OG1 : rot 125:sc= 1.25 USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 0 GLY N :NH3+ -108:sc= 0.0264 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0694 USER MOD Single : A 2 MET CE :methyl 166:sc= 0 (180deg=-0.113) USER MOD Single : A 3 MET CE :methyl 172:sc= 0 (180deg=-0.0336) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0799) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0132) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -0.388 (180deg=-1.66!) USER MOD Single : A 18 GLN : amide:sc= -2.6! C(o=-2.6!,f=-2.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -155:sc= -2.69 (180deg=-3.55) USER MOD Single : A 30 SER OG : rot 180:sc= -2.74! USER MOD Single : A 34 ASN : amide:sc= -5.37! C(o=-5.4!,f=-13!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= -0.276 (180deg=-1.3!) USER MOD Single : A 47 TYR OH : rot 157:sc= -0.834 USER MOD Single : A 49 SER OG : rot -39:sc= -1.06 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.312 USER MOD Single : A 61 LYS NZ :NH3+ -139:sc= -0.0553 (180deg=-1.48) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -58:sc= 0.724 USER MOD Single : A 67 SER OG : rot 39:sc=-0.00364 USER MOD Single : A 68 HIS : no HE2:sc= -4.71! C(o=-4.7!,f=-7.4!) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0737) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 36:sc= 0.367 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.62) USER MOD Single : A 76 THR OG1 : rot 160:sc= -1.8 USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= -0.37 (180deg=-0.558) USER MOD Single : A 79 HIS : no HD1:sc= -0.622 X(o=-0.62,f=-0.89) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0943 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0804 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.571 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -169:sc= 0.405 (180deg=0.357) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0451 F(o=-1.2,f=-0.045) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 80:sc= -0.514 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 57:sc= 1.12 USER MOD Single : A 113 SER OG : rot -3:sc= 0.814 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 21.561 -12.079 19.043 1.00 0.00 N ATOM 2 CA GLY A 0 20.890 -13.316 18.556 1.00 0.00 C ATOM 3 C GLY A 0 20.987 -13.474 17.052 1.00 0.00 C ATOM 4 O GLY A 0 21.067 -12.488 16.320 1.00 0.00 O ATOM 0 H1 GLY A 0 22.437 -12.333 19.542 1.00 0.00 H new ATOM 0 H2 GLY A 0 21.788 -11.466 18.234 1.00 0.00 H new ATOM 0 H3 GLY A 0 20.927 -11.573 19.693 1.00 0.00 H new ATOM 0 HA2 GLY A 0 21.339 -14.184 19.039 1.00 0.00 H new ATOM 0 HA3 GLY A 0 19.840 -13.296 18.849 1.00 0.00 H new ATOM 10 N SER A 1 20.980 -14.720 16.589 1.00 0.00 N ATOM 11 CA SER A 1 21.068 -15.006 15.161 1.00 0.00 C ATOM 12 C SER A 1 22.365 -14.458 14.575 1.00 0.00 C ATOM 13 O SER A 1 23.116 -13.756 15.252 1.00 0.00 O ATOM 14 CB SER A 1 19.869 -14.405 14.425 1.00 0.00 C ATOM 15 OG SER A 1 19.785 -14.896 13.099 1.00 0.00 O ATOM 0 H SER A 1 20.914 -15.548 17.182 1.00 0.00 H new ATOM 0 HA SER A 1 21.061 -16.088 15.032 1.00 0.00 H new ATOM 0 HB2 SER A 1 18.952 -14.644 14.963 1.00 0.00 H new ATOM 0 HB3 SER A 1 19.956 -13.319 14.409 1.00 0.00 H new ATOM 0 HG SER A 1 19.010 -14.498 12.651 1.00 0.00 H new ATOM 21 N MET A 2 22.621 -14.784 13.312 1.00 0.00 N ATOM 22 CA MET A 2 23.829 -14.324 12.635 1.00 0.00 C ATOM 23 C MET A 2 23.489 -13.298 11.556 1.00 0.00 C ATOM 24 O MET A 2 22.967 -13.646 10.497 1.00 0.00 O ATOM 25 CB MET A 2 24.573 -15.509 12.014 1.00 0.00 C ATOM 26 CG MET A 2 25.703 -16.039 12.881 1.00 0.00 C ATOM 27 SD MET A 2 25.159 -17.326 14.020 1.00 0.00 S ATOM 28 CE MET A 2 24.994 -18.718 12.905 1.00 0.00 C ATOM 0 H MET A 2 22.010 -15.364 12.737 1.00 0.00 H new ATOM 0 HA MET A 2 24.473 -13.848 13.374 1.00 0.00 H new ATOM 0 HB2 MET A 2 23.863 -16.314 11.825 1.00 0.00 H new ATOM 0 HB3 MET A 2 24.978 -15.207 11.048 1.00 0.00 H new ATOM 0 HG2 MET A 2 26.492 -16.435 12.241 1.00 0.00 H new ATOM 0 HG3 MET A 2 26.137 -15.216 13.449 1.00 0.00 H new ATOM 0 HE1 MET A 2 24.909 -19.639 13.482 1.00 0.00 H new ATOM 0 HE2 MET A 2 24.102 -18.590 12.292 1.00 0.00 H new ATOM 0 HE3 MET A 2 25.871 -18.774 12.261 1.00 0.00 H new ATOM 38 N MET A 3 23.791 -12.034 11.835 1.00 0.00 N ATOM 39 CA MET A 3 23.519 -10.958 10.889 1.00 0.00 C ATOM 40 C MET A 3 22.026 -10.857 10.593 1.00 0.00 C ATOM 41 O MET A 3 21.444 -11.748 9.975 1.00 0.00 O ATOM 42 CB MET A 3 24.294 -11.184 9.589 1.00 0.00 C ATOM 43 CG MET A 3 25.804 -11.104 9.758 1.00 0.00 C ATOM 44 SD MET A 3 26.543 -9.766 8.800 1.00 0.00 S ATOM 45 CE MET A 3 25.819 -8.336 9.600 1.00 0.00 C ATOM 0 H MET A 3 24.224 -11.730 12.707 1.00 0.00 H new ATOM 0 HA MET A 3 23.846 -10.021 11.340 1.00 0.00 H new ATOM 0 HB2 MET A 3 24.033 -12.163 9.186 1.00 0.00 H new ATOM 0 HB3 MET A 3 23.979 -10.443 8.855 1.00 0.00 H new ATOM 0 HG2 MET A 3 26.040 -10.963 10.813 1.00 0.00 H new ATOM 0 HG3 MET A 3 26.250 -12.051 9.455 1.00 0.00 H new ATOM 0 HE1 MET A 3 26.286 -7.429 9.216 1.00 0.00 H new ATOM 0 HE2 MET A 3 24.749 -8.308 9.396 1.00 0.00 H new ATOM 0 HE3 MET A 3 25.981 -8.400 10.676 1.00 0.00 H new ATOM 55 N MET A 4 21.412 -9.766 11.039 1.00 0.00 N ATOM 56 CA MET A 4 19.987 -9.549 10.822 1.00 0.00 C ATOM 57 C MET A 4 19.617 -8.087 11.054 1.00 0.00 C ATOM 58 O MET A 4 20.276 -7.385 11.821 1.00 0.00 O ATOM 59 CB MET A 4 19.167 -10.448 11.749 1.00 0.00 C ATOM 60 CG MET A 4 17.834 -10.877 11.156 1.00 0.00 C ATOM 61 SD MET A 4 17.894 -12.529 10.435 1.00 0.00 S ATOM 62 CE MET A 4 16.838 -12.312 9.005 1.00 0.00 C ATOM 0 H MET A 4 21.879 -9.019 11.553 1.00 0.00 H new ATOM 0 HA MET A 4 19.760 -9.802 9.786 1.00 0.00 H new ATOM 0 HB2 MET A 4 19.751 -11.336 11.990 1.00 0.00 H new ATOM 0 HB3 MET A 4 18.986 -9.921 12.686 1.00 0.00 H new ATOM 0 HG2 MET A 4 17.070 -10.851 11.933 1.00 0.00 H new ATOM 0 HG3 MET A 4 17.534 -10.161 10.390 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.775 -13.250 8.454 1.00 0.00 H new ATOM 0 HE2 MET A 4 15.841 -12.014 9.331 1.00 0.00 H new ATOM 0 HE3 MET A 4 17.255 -11.539 8.359 1.00 0.00 H new ATOM 72 N ALA A 5 18.560 -7.636 10.388 1.00 0.00 N ATOM 73 CA ALA A 5 18.102 -6.259 10.522 1.00 0.00 C ATOM 74 C ALA A 5 17.656 -5.965 11.949 1.00 0.00 C ATOM 75 O ALA A 5 17.654 -6.850 12.805 1.00 0.00 O ATOM 76 CB ALA A 5 16.969 -5.984 9.544 1.00 0.00 C ATOM 0 H ALA A 5 18.004 -8.205 9.749 1.00 0.00 H new ATOM 0 HA ALA A 5 18.937 -5.599 10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.636 -4.952 9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 5 17.321 -6.145 8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 5 16.138 -6.658 9.751 1.00 0.00 H new ATOM 82 N LEU A 6 17.277 -4.716 12.199 1.00 0.00 N ATOM 83 CA LEU A 6 16.828 -4.306 13.525 1.00 0.00 C ATOM 84 C LEU A 6 15.799 -3.186 13.427 1.00 0.00 C ATOM 85 O LEU A 6 14.751 -3.233 14.071 1.00 0.00 O ATOM 86 CB LEU A 6 18.018 -3.851 14.372 1.00 0.00 C ATOM 87 CG LEU A 6 18.987 -4.963 14.777 1.00 0.00 C ATOM 88 CD1 LEU A 6 20.269 -4.374 15.343 1.00 0.00 C ATOM 89 CD2 LEU A 6 18.335 -5.896 15.786 1.00 0.00 C ATOM 0 H LEU A 6 17.272 -3.971 11.502 1.00 0.00 H new ATOM 0 HA LEU A 6 16.359 -5.165 14.005 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.571 -3.093 13.817 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.640 -3.373 15.275 1.00 0.00 H new ATOM 0 HG LEU A 6 19.239 -5.541 13.888 1.00 0.00 H new ATOM 0 HD11 LEU A 6 20.946 -5.180 15.626 1.00 0.00 H new ATOM 0 HD12 LEU A 6 20.745 -3.747 14.589 1.00 0.00 H new ATOM 0 HD13 LEU A 6 20.036 -3.771 16.221 1.00 0.00 H new ATOM 0 HD21 LEU A 6 19.038 -6.681 16.063 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.053 -5.331 16.675 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.445 -6.345 15.344 1.00 0.00 H new ATOM 101 N SER A 7 16.106 -2.184 12.615 1.00 0.00 N ATOM 102 CA SER A 7 15.210 -1.049 12.426 1.00 0.00 C ATOM 103 C SER A 7 14.948 -0.804 10.944 1.00 0.00 C ATOM 104 O SER A 7 15.879 -0.611 10.162 1.00 0.00 O ATOM 105 CB SER A 7 15.800 0.209 13.064 1.00 0.00 C ATOM 106 OG SER A 7 16.340 -0.072 14.344 1.00 0.00 O ATOM 0 H SER A 7 16.970 -2.133 12.075 1.00 0.00 H new ATOM 0 HA SER A 7 14.263 -1.284 12.912 1.00 0.00 H new ATOM 0 HB2 SER A 7 16.579 0.616 12.419 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.027 0.972 13.152 1.00 0.00 H new ATOM 0 HG SER A 7 16.712 0.749 14.729 1.00 0.00 H new ATOM 112 N LYS A 8 13.675 -0.813 10.565 1.00 0.00 N ATOM 113 CA LYS A 8 13.287 -0.593 9.177 1.00 0.00 C ATOM 114 C LYS A 8 11.942 0.118 9.089 1.00 0.00 C ATOM 115 O LYS A 8 11.755 1.022 8.275 1.00 0.00 O ATOM 116 CB LYS A 8 13.222 -1.924 8.425 1.00 0.00 C ATOM 117 CG LYS A 8 14.572 -2.607 8.272 1.00 0.00 C ATOM 118 CD LYS A 8 15.429 -1.925 7.215 1.00 0.00 C ATOM 119 CE LYS A 8 15.950 -2.920 6.190 1.00 0.00 C ATOM 120 NZ LYS A 8 15.202 -2.839 4.906 1.00 0.00 N ATOM 0 H LYS A 8 12.893 -0.971 11.201 1.00 0.00 H new ATOM 0 HA LYS A 8 14.043 0.042 8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.543 -2.595 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.798 -1.752 7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.096 -2.597 9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.423 -3.652 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.843 -1.156 6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.269 -1.423 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.008 -2.731 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.872 -3.930 6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.519 -3.599 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.184 -2.943 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.380 -1.917 4.458 1.00 0.00 H new ATOM 134 N THR A 9 11.005 -0.301 9.933 1.00 0.00 N ATOM 135 CA THR A 9 9.671 0.289 9.953 1.00 0.00 C ATOM 136 C THR A 9 9.471 1.133 11.209 1.00 0.00 C ATOM 137 O THR A 9 10.140 0.922 12.221 1.00 0.00 O ATOM 138 CB THR A 9 8.603 -0.805 9.879 1.00 0.00 C ATOM 139 OG1 THR A 9 8.301 -1.304 11.171 1.00 0.00 O ATOM 140 CG2 THR A 9 9.004 -1.983 9.016 1.00 0.00 C ATOM 0 H THR A 9 11.145 -1.048 10.613 1.00 0.00 H new ATOM 0 HA THR A 9 9.573 0.937 9.082 1.00 0.00 H new ATOM 0 HB THR A 9 7.735 -0.324 9.428 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.337 -1.236 11.331 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.200 -2.719 9.009 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.192 -1.641 7.998 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.909 -2.438 9.419 1.00 0.00 H new ATOM 148 N PHE A 10 8.553 2.095 11.139 1.00 0.00 N ATOM 149 CA PHE A 10 8.283 2.969 12.278 1.00 0.00 C ATOM 150 C PHE A 10 6.790 3.210 12.459 1.00 0.00 C ATOM 151 O PHE A 10 6.116 3.661 11.536 1.00 0.00 O ATOM 152 CB PHE A 10 8.972 4.322 12.075 1.00 0.00 C ATOM 153 CG PHE A 10 10.046 4.310 11.024 1.00 0.00 C ATOM 154 CD1 PHE A 10 9.893 5.039 9.856 1.00 0.00 C ATOM 155 CD2 PHE A 10 11.201 3.567 11.200 1.00 0.00 C ATOM 156 CE1 PHE A 10 10.873 5.028 8.883 1.00 0.00 C ATOM 157 CE2 PHE A 10 12.186 3.553 10.230 1.00 0.00 C ATOM 158 CZ PHE A 10 12.022 4.284 9.069 1.00 0.00 C ATOM 0 H PHE A 10 7.988 2.288 10.312 1.00 0.00 H new ATOM 0 HA PHE A 10 8.670 2.472 13.167 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.221 5.064 11.803 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.408 4.642 13.022 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.997 5.623 9.705 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.334 2.992 12.105 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.741 5.601 7.977 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.083 2.971 10.380 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.790 4.274 8.309 1.00 0.00 H new ATOM 168 N GLY A 11 6.281 2.949 13.660 1.00 0.00 N ATOM 169 CA GLY A 11 4.874 3.192 13.915 1.00 0.00 C ATOM 170 C GLY A 11 4.014 1.957 13.738 1.00 0.00 C ATOM 171 O GLY A 11 4.522 0.850 13.558 1.00 0.00 O ATOM 0 H GLY A 11 6.810 2.579 14.450 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.755 3.567 14.931 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.519 3.973 13.243 1.00 0.00 H new ATOM 175 N GLN A 12 2.704 2.162 13.771 1.00 0.00 N ATOM 176 CA GLN A 12 1.744 1.083 13.588 1.00 0.00 C ATOM 177 C GLN A 12 1.815 0.566 12.153 1.00 0.00 C ATOM 178 O GLN A 12 2.272 1.273 11.255 1.00 0.00 O ATOM 179 CB GLN A 12 0.327 1.566 13.905 1.00 0.00 C ATOM 180 CG GLN A 12 -0.149 1.180 15.297 1.00 0.00 C ATOM 181 CD GLN A 12 -1.659 1.080 15.389 1.00 0.00 C ATOM 182 OE1 GLN A 12 -2.368 2.077 15.248 1.00 0.00 O ATOM 183 NE2 GLN A 12 -2.159 -0.127 15.628 1.00 0.00 N ATOM 0 H GLN A 12 2.279 3.076 13.925 1.00 0.00 H new ATOM 0 HA GLN A 12 1.992 0.272 14.273 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.291 2.651 13.805 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.362 1.155 13.167 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.293 0.223 15.576 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.207 1.917 16.016 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.534 -0.925 15.738 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.168 -0.256 15.702 1.00 0.00 H new ATOM 192 N LYS A 13 1.378 -0.669 11.940 1.00 0.00 N ATOM 193 CA LYS A 13 1.416 -1.264 10.608 1.00 0.00 C ATOM 194 C LYS A 13 0.419 -0.560 9.690 1.00 0.00 C ATOM 195 O LYS A 13 -0.653 -0.144 10.128 1.00 0.00 O ATOM 196 CB LYS A 13 1.089 -2.763 10.695 1.00 0.00 C ATOM 197 CG LYS A 13 0.864 -3.440 9.346 1.00 0.00 C ATOM 198 CD LYS A 13 2.115 -4.161 8.870 1.00 0.00 C ATOM 199 CE LYS A 13 1.808 -5.112 7.724 1.00 0.00 C ATOM 200 NZ LYS A 13 2.526 -6.410 7.871 1.00 0.00 N ATOM 0 H LYS A 13 0.996 -1.275 12.666 1.00 0.00 H new ATOM 0 HA LYS A 13 2.417 -1.144 10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.904 -3.271 11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.196 -2.892 11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.042 -4.151 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.569 -2.694 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.857 -3.430 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.553 -4.717 9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.734 -5.294 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.090 -4.646 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.251 -7.048 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.552 -6.245 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.277 -6.843 8.783 1.00 0.00 H new ATOM 214 N PRO A 14 0.768 -0.402 8.398 1.00 0.00 N ATOM 215 CA PRO A 14 -0.097 0.274 7.428 1.00 0.00 C ATOM 216 C PRO A 14 -1.443 -0.420 7.287 1.00 0.00 C ATOM 217 O PRO A 14 -1.572 -1.612 7.568 1.00 0.00 O ATOM 218 CB PRO A 14 0.685 0.186 6.114 1.00 0.00 C ATOM 219 CG PRO A 14 2.100 -0.044 6.520 1.00 0.00 C ATOM 220 CD PRO A 14 2.037 -0.843 7.789 1.00 0.00 C ATOM 0 HA PRO A 14 -0.324 1.296 7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.317 -0.628 5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.585 1.103 5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.646 -0.583 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.620 0.901 6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.038 -1.915 7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.889 -0.638 8.438 1.00 0.00 H new ATOM 228 N VAL A 15 -2.447 0.337 6.864 1.00 0.00 N ATOM 229 CA VAL A 15 -3.786 -0.203 6.703 1.00 0.00 C ATOM 230 C VAL A 15 -3.880 -1.120 5.487 1.00 0.00 C ATOM 231 O VAL A 15 -3.682 -0.692 4.340 1.00 0.00 O ATOM 232 CB VAL A 15 -4.836 0.920 6.596 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.709 1.876 7.775 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.705 1.665 5.277 1.00 0.00 C ATOM 0 H VAL A 15 -2.357 1.325 6.627 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.997 -0.793 7.595 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.827 0.467 6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.457 2.664 7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.866 1.330 8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.713 2.319 7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.458 2.452 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.712 2.108 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.852 0.970 4.450 1.00 0.00 H new ATOM 244 N LYS A 16 -4.186 -2.387 5.758 1.00 0.00 N ATOM 245 CA LYS A 16 -4.322 -3.397 4.718 1.00 0.00 C ATOM 246 C LYS A 16 -5.775 -3.850 4.614 1.00 0.00 C ATOM 247 O LYS A 16 -6.509 -3.836 5.603 1.00 0.00 O ATOM 248 CB LYS A 16 -3.420 -4.597 5.021 1.00 0.00 C ATOM 249 CG LYS A 16 -3.642 -5.198 6.399 1.00 0.00 C ATOM 250 CD LYS A 16 -3.396 -6.700 6.396 1.00 0.00 C ATOM 251 CE LYS A 16 -2.215 -7.076 7.277 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.270 -6.396 8.600 1.00 0.00 N ATOM 0 H LYS A 16 -4.346 -2.739 6.702 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.018 -2.961 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.589 -5.366 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.378 -4.288 4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.976 -4.720 7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.662 -4.995 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.290 -7.216 6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.211 -7.037 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.201 -8.156 7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.286 -6.812 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.786 -6.980 9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.800 -5.470 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.262 -6.262 8.880 1.00 0.00 H new ATOM 266 N PHE A 17 -6.191 -4.247 3.417 1.00 0.00 N ATOM 267 CA PHE A 17 -7.562 -4.695 3.202 1.00 0.00 C ATOM 268 C PHE A 17 -7.633 -5.742 2.100 1.00 0.00 C ATOM 269 O PHE A 17 -6.668 -5.956 1.367 1.00 0.00 O ATOM 270 CB PHE A 17 -8.454 -3.506 2.841 1.00 0.00 C ATOM 271 CG PHE A 17 -7.876 -2.635 1.763 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.272 -1.429 2.081 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.934 -3.022 0.434 1.00 0.00 C ATOM 274 CE1 PHE A 17 -6.734 -0.629 1.093 1.00 0.00 C ATOM 275 CE2 PHE A 17 -7.400 -2.225 -0.559 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.797 -1.024 -0.228 1.00 0.00 C ATOM 0 H PHE A 17 -5.602 -4.268 2.584 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.916 -5.147 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.427 -3.876 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.623 -2.904 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.222 -1.112 3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.403 -3.959 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.263 0.307 1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.453 -2.538 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.377 -0.398 -1.001 1.00 0.00 H new ATOM 286 N GLN A 18 -8.789 -6.387 1.983 1.00 0.00 N ATOM 287 CA GLN A 18 -8.996 -7.407 0.965 1.00 0.00 C ATOM 288 C GLN A 18 -9.824 -6.848 -0.185 1.00 0.00 C ATOM 289 O GLN A 18 -10.896 -6.281 0.030 1.00 0.00 O ATOM 290 CB GLN A 18 -9.694 -8.626 1.567 1.00 0.00 C ATOM 291 CG GLN A 18 -9.279 -9.939 0.927 1.00 0.00 C ATOM 292 CD GLN A 18 -10.460 -10.825 0.591 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.474 -10.356 0.073 1.00 0.00 O ATOM 294 NE2 GLN A 18 -10.337 -12.112 0.886 1.00 0.00 N ATOM 0 H GLN A 18 -9.597 -6.220 2.582 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.023 -7.713 0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.479 -8.667 2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.772 -8.505 1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.715 -9.733 0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.611 -10.472 1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.478 -12.457 1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.101 -12.757 0.684 1.00 0.00 H new ATOM 303 N LEU A 19 -9.324 -7.004 -1.405 1.00 0.00 N ATOM 304 CA LEU A 19 -10.026 -6.502 -2.582 1.00 0.00 C ATOM 305 C LEU A 19 -10.620 -7.641 -3.409 1.00 0.00 C ATOM 306 O LEU A 19 -11.540 -7.426 -4.198 1.00 0.00 O ATOM 307 CB LEU A 19 -9.084 -5.656 -3.447 1.00 0.00 C ATOM 308 CG LEU A 19 -9.308 -4.143 -3.375 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.523 -3.439 -4.470 1.00 0.00 C ATOM 310 CD2 LEU A 19 -10.789 -3.808 -3.490 1.00 0.00 C ATOM 0 H LEU A 19 -8.440 -7.471 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.848 -5.876 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.057 -5.869 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.188 -5.973 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.952 -3.792 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.693 -2.364 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.460 -3.647 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.853 -3.801 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.923 -2.728 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.172 -4.174 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.334 -4.282 -2.674 1.00 0.00 H new ATOM 322 N GLU A 20 -10.097 -8.851 -3.228 1.00 0.00 N ATOM 323 CA GLU A 20 -10.592 -10.008 -3.968 1.00 0.00 C ATOM 324 C GLU A 20 -10.942 -11.157 -3.028 1.00 0.00 C ATOM 325 O GLU A 20 -10.274 -11.377 -2.021 1.00 0.00 O ATOM 326 CB GLU A 20 -9.556 -10.471 -4.995 1.00 0.00 C ATOM 327 CG GLU A 20 -8.935 -9.335 -5.792 1.00 0.00 C ATOM 328 CD GLU A 20 -9.685 -9.048 -7.078 1.00 0.00 C ATOM 329 OE1 GLU A 20 -9.937 -10.002 -7.844 1.00 0.00 O ATOM 330 OE2 GLU A 20 -10.019 -7.869 -7.320 1.00 0.00 O ATOM 0 H GLU A 20 -9.336 -9.055 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.500 -9.704 -4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.765 -11.016 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.028 -11.171 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.915 -8.434 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.900 -9.584 -6.027 1.00 0.00 H new ATOM 337 N ASP A 21 -11.999 -11.885 -3.373 1.00 0.00 N ATOM 338 CA ASP A 21 -12.460 -13.018 -2.574 1.00 0.00 C ATOM 339 C ASP A 21 -11.435 -14.152 -2.547 1.00 0.00 C ATOM 340 O ASP A 21 -11.566 -15.094 -1.766 1.00 0.00 O ATOM 341 CB ASP A 21 -13.791 -13.538 -3.119 1.00 0.00 C ATOM 342 CG ASP A 21 -13.700 -13.947 -4.576 1.00 0.00 C ATOM 343 OD1 ASP A 21 -13.127 -15.022 -4.855 1.00 0.00 O ATOM 344 OD2 ASP A 21 -14.202 -13.195 -5.438 1.00 0.00 O ATOM 0 H ASP A 21 -12.558 -11.709 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.594 -12.664 -1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.115 -14.392 -2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.552 -12.766 -3.008 1.00 0.00 H new ATOM 349 N ASP A 22 -10.428 -14.074 -3.412 1.00 0.00 N ATOM 350 CA ASP A 22 -9.405 -15.113 -3.485 1.00 0.00 C ATOM 351 C ASP A 22 -8.343 -14.944 -2.398 1.00 0.00 C ATOM 352 O ASP A 22 -7.424 -15.758 -2.292 1.00 0.00 O ATOM 353 CB ASP A 22 -8.741 -15.103 -4.865 1.00 0.00 C ATOM 354 CG ASP A 22 -8.529 -16.499 -5.414 1.00 0.00 C ATOM 355 OD1 ASP A 22 -9.460 -17.326 -5.310 1.00 0.00 O ATOM 356 OD2 ASP A 22 -7.434 -16.766 -5.951 1.00 0.00 O ATOM 0 H ASP A 22 -10.298 -13.305 -4.070 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.899 -16.071 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.359 -14.533 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.781 -14.592 -4.799 1.00 0.00 H new ATOM 361 N GLY A 23 -8.476 -13.902 -1.582 1.00 0.00 N ATOM 362 CA GLY A 23 -7.521 -13.679 -0.512 1.00 0.00 C ATOM 363 C GLY A 23 -6.462 -12.649 -0.856 1.00 0.00 C ATOM 364 O GLY A 23 -5.371 -12.665 -0.287 1.00 0.00 O ATOM 0 H GLY A 23 -9.224 -13.212 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.056 -13.355 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.034 -14.623 -0.267 1.00 0.00 H new ATOM 368 N GLU A 24 -6.778 -11.749 -1.779 1.00 0.00 N ATOM 369 CA GLU A 24 -5.833 -10.711 -2.177 1.00 0.00 C ATOM 370 C GLU A 24 -5.897 -9.532 -1.212 1.00 0.00 C ATOM 371 O GLU A 24 -6.929 -8.868 -1.091 1.00 0.00 O ATOM 372 CB GLU A 24 -6.120 -10.238 -3.602 1.00 0.00 C ATOM 373 CG GLU A 24 -5.499 -11.124 -4.672 1.00 0.00 C ATOM 374 CD GLU A 24 -6.512 -11.616 -5.686 1.00 0.00 C ATOM 375 OE1 GLU A 24 -7.331 -12.490 -5.331 1.00 0.00 O ATOM 376 OE2 GLU A 24 -6.488 -11.128 -6.835 1.00 0.00 O ATOM 0 H GLU A 24 -7.675 -11.716 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.830 -11.136 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.199 -10.200 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.746 -9.221 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.716 -10.569 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.022 -11.981 -4.196 1.00 0.00 H new ATOM 383 N PHE A 25 -4.790 -9.280 -0.521 1.00 0.00 N ATOM 384 CA PHE A 25 -4.720 -8.188 0.440 1.00 0.00 C ATOM 385 C PHE A 25 -3.808 -7.072 -0.056 1.00 0.00 C ATOM 386 O PHE A 25 -2.677 -7.317 -0.473 1.00 0.00 O ATOM 387 CB PHE A 25 -4.219 -8.703 1.791 1.00 0.00 C ATOM 388 CG PHE A 25 -5.321 -9.070 2.741 1.00 0.00 C ATOM 389 CD1 PHE A 25 -6.007 -10.265 2.599 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.673 -8.218 3.778 1.00 0.00 C ATOM 391 CE1 PHE A 25 -7.022 -10.605 3.471 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.687 -8.553 4.653 1.00 0.00 C ATOM 393 CZ PHE A 25 -7.363 -9.748 4.500 1.00 0.00 C ATOM 0 H PHE A 25 -3.928 -9.819 -0.610 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.725 -7.782 0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.587 -9.576 1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.593 -7.939 2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.745 -10.939 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.148 -7.282 3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.549 -11.540 3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.951 -7.881 5.456 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.157 -10.012 5.183 1.00 0.00 H new ATOM 403 N TYR A 26 -4.307 -5.843 0.006 1.00 0.00 N ATOM 404 CA TYR A 26 -3.541 -4.680 -0.421 1.00 0.00 C ATOM 405 C TYR A 26 -3.397 -3.687 0.723 1.00 0.00 C ATOM 406 O TYR A 26 -4.083 -3.789 1.739 1.00 0.00 O ATOM 407 CB TYR A 26 -4.203 -3.998 -1.617 1.00 0.00 C ATOM 408 CG TYR A 26 -4.228 -4.848 -2.868 1.00 0.00 C ATOM 409 CD1 TYR A 26 -3.282 -4.668 -3.870 1.00 0.00 C ATOM 410 CD2 TYR A 26 -5.194 -5.831 -3.047 1.00 0.00 C ATOM 411 CE1 TYR A 26 -3.298 -5.441 -5.014 1.00 0.00 C ATOM 412 CE2 TYR A 26 -5.216 -6.609 -4.189 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.267 -6.410 -5.169 1.00 0.00 C ATOM 414 OH TYR A 26 -4.287 -7.183 -6.308 1.00 0.00 O ATOM 0 H TYR A 26 -5.243 -5.627 0.349 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.551 -5.024 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.225 -3.730 -1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.676 -3.068 -1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.521 -3.911 -3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.939 -5.989 -2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.556 -5.288 -5.783 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.973 -7.369 -4.313 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.032 -7.818 -6.259 1.00 0.00 H new ATOM 424 N MET A 27 -2.500 -2.730 0.547 1.00 0.00 N ATOM 425 CA MET A 27 -2.256 -1.710 1.560 1.00 0.00 C ATOM 426 C MET A 27 -2.275 -0.323 0.935 1.00 0.00 C ATOM 427 O MET A 27 -1.923 -0.159 -0.234 1.00 0.00 O ATOM 428 CB MET A 27 -0.906 -1.950 2.240 1.00 0.00 C ATOM 429 CG MET A 27 -1.001 -2.786 3.504 1.00 0.00 C ATOM 430 SD MET A 27 -0.328 -4.447 3.294 1.00 0.00 S ATOM 431 CE MET A 27 1.025 -4.415 4.467 1.00 0.00 C ATOM 0 H MET A 27 -1.926 -2.636 -0.291 1.00 0.00 H new ATOM 0 HA MET A 27 -3.048 -1.772 2.306 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.237 -2.446 1.536 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.456 -0.988 2.484 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.467 -2.281 4.309 1.00 0.00 H new ATOM 0 HG3 MET A 27 -2.045 -2.858 3.810 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.784 -5.138 4.167 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.463 -3.417 4.490 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.653 -4.671 5.459 1.00 0.00 H new ATOM 441 N ILE A 28 -2.683 0.676 1.714 1.00 0.00 N ATOM 442 CA ILE A 28 -2.731 2.043 1.202 1.00 0.00 C ATOM 443 C ILE A 28 -1.333 2.657 1.154 1.00 0.00 C ATOM 444 O ILE A 28 -0.638 2.738 2.170 1.00 0.00 O ATOM 445 CB ILE A 28 -3.664 2.943 2.033 1.00 0.00 C ATOM 446 CG1 ILE A 28 -5.013 2.256 2.241 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.858 4.277 1.332 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.028 3.116 2.968 1.00 0.00 C ATOM 0 H ILE A 28 -2.980 0.569 2.684 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.134 1.984 0.191 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.208 3.119 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.419 1.971 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.859 1.336 2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.519 4.908 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.893 4.771 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.301 4.111 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.961 2.563 3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.643 3.380 3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.212 4.025 2.395 1.00 0.00 H new ATOM 460 N GLY A 29 -0.925 3.081 -0.041 1.00 0.00 N ATOM 461 CA GLY A 29 0.395 3.664 -0.218 1.00 0.00 C ATOM 462 C GLY A 29 0.655 4.827 0.714 1.00 0.00 C ATOM 463 O GLY A 29 1.769 4.989 1.209 1.00 0.00 O ATOM 0 H GLY A 29 -1.487 3.031 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.151 2.896 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.503 4.000 -1.249 1.00 0.00 H new ATOM 467 N SER A 30 -0.369 5.631 0.970 1.00 0.00 N ATOM 468 CA SER A 30 -0.225 6.768 1.868 1.00 0.00 C ATOM 469 C SER A 30 0.259 6.297 3.236 1.00 0.00 C ATOM 470 O SER A 30 1.096 6.944 3.875 1.00 0.00 O ATOM 471 CB SER A 30 -1.555 7.511 2.009 1.00 0.00 C ATOM 472 OG SER A 30 -2.636 6.602 2.129 1.00 0.00 O ATOM 0 H SER A 30 -1.301 5.518 0.572 1.00 0.00 H new ATOM 0 HA SER A 30 0.512 7.452 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.522 8.160 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.710 8.153 1.142 1.00 0.00 H new ATOM 0 HG SER A 30 -3.475 7.101 2.220 1.00 0.00 H new ATOM 478 N GLU A 31 -0.260 5.149 3.670 1.00 0.00 N ATOM 479 CA GLU A 31 0.127 4.580 4.950 1.00 0.00 C ATOM 480 C GLU A 31 1.553 4.062 4.881 1.00 0.00 C ATOM 481 O GLU A 31 2.343 4.253 5.805 1.00 0.00 O ATOM 482 CB GLU A 31 -0.827 3.452 5.346 1.00 0.00 C ATOM 483 CG GLU A 31 -2.116 3.944 5.982 1.00 0.00 C ATOM 484 CD GLU A 31 -2.090 3.853 7.496 1.00 0.00 C ATOM 485 OE1 GLU A 31 -1.963 2.727 8.020 1.00 0.00 O ATOM 486 OE2 GLU A 31 -2.196 4.908 8.155 1.00 0.00 O ATOM 0 H GLU A 31 -0.947 4.600 3.153 1.00 0.00 H new ATOM 0 HA GLU A 31 0.071 5.361 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.069 2.864 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.319 2.785 6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.291 4.979 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.952 3.358 5.601 1.00 0.00 H new ATOM 493 N VAL A 32 1.878 3.416 3.770 1.00 0.00 N ATOM 494 CA VAL A 32 3.216 2.881 3.566 1.00 0.00 C ATOM 495 C VAL A 32 4.245 4.003 3.548 1.00 0.00 C ATOM 496 O VAL A 32 5.334 3.872 4.105 1.00 0.00 O ATOM 497 CB VAL A 32 3.311 2.084 2.250 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.670 1.410 2.128 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.191 1.057 2.163 1.00 0.00 C ATOM 0 H VAL A 32 1.234 3.250 2.997 1.00 0.00 H new ATOM 0 HA VAL A 32 3.424 2.208 4.397 1.00 0.00 H new ATOM 0 HB VAL A 32 3.200 2.781 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.717 0.853 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.454 2.167 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.814 0.727 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.276 0.505 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.267 0.364 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.228 1.565 2.199 1.00 0.00 H new ATOM 509 N GLY A 33 3.888 5.108 2.904 1.00 0.00 N ATOM 510 CA GLY A 33 4.789 6.241 2.824 1.00 0.00 C ATOM 511 C GLY A 33 5.075 6.854 4.181 1.00 0.00 C ATOM 512 O GLY A 33 6.235 7.049 4.547 1.00 0.00 O ATOM 0 H GLY A 33 2.991 5.239 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.727 5.924 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.357 6.999 2.171 1.00 0.00 H new ATOM 516 N ASN A 34 4.024 7.149 4.941 1.00 0.00 N ATOM 517 CA ASN A 34 4.205 7.733 6.265 1.00 0.00 C ATOM 518 C ASN A 34 4.902 6.739 7.190 1.00 0.00 C ATOM 519 O ASN A 34 5.675 7.125 8.068 1.00 0.00 O ATOM 520 CB ASN A 34 2.868 8.196 6.858 1.00 0.00 C ATOM 521 CG ASN A 34 1.907 7.058 7.156 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.309 5.980 7.588 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.621 7.303 6.933 1.00 0.00 N ATOM 0 H ASN A 34 3.053 6.996 4.668 1.00 0.00 H new ATOM 0 HA ASN A 34 4.838 8.614 6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.060 8.748 7.778 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.393 8.889 6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.076 6.582 7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.330 8.212 6.574 1.00 0.00 H new ATOM 530 N TYR A 35 4.625 5.457 6.979 1.00 0.00 N ATOM 531 CA TYR A 35 5.220 4.392 7.778 1.00 0.00 C ATOM 532 C TYR A 35 6.735 4.358 7.600 1.00 0.00 C ATOM 533 O TYR A 35 7.480 4.210 8.567 1.00 0.00 O ATOM 534 CB TYR A 35 4.612 3.053 7.358 1.00 0.00 C ATOM 535 CG TYR A 35 4.880 1.929 8.324 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.117 0.640 7.870 1.00 0.00 C ATOM 537 CD2 TYR A 35 4.892 2.157 9.688 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.359 -0.390 8.754 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.135 1.135 10.578 1.00 0.00 C ATOM 540 CZ TYR A 35 5.369 -0.138 10.109 1.00 0.00 C ATOM 541 OH TYR A 35 5.608 -1.164 10.995 1.00 0.00 O ATOM 0 H TYR A 35 3.986 5.128 6.255 1.00 0.00 H new ATOM 0 HA TYR A 35 5.010 4.580 8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.534 3.174 7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.005 2.778 6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.112 0.440 6.809 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.708 3.154 10.061 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.540 -1.389 8.387 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.142 1.331 11.640 1.00 0.00 H new ATOM 0 HH TYR A 35 5.582 -0.818 11.911 1.00 0.00 H new ATOM 551 N LEU A 36 7.180 4.508 6.360 1.00 0.00 N ATOM 552 CA LEU A 36 8.608 4.509 6.055 1.00 0.00 C ATOM 553 C LEU A 36 9.168 5.932 6.043 1.00 0.00 C ATOM 554 O LEU A 36 10.369 6.133 5.862 1.00 0.00 O ATOM 555 CB LEU A 36 8.872 3.828 4.712 1.00 0.00 C ATOM 556 CG LEU A 36 8.442 2.360 4.634 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.384 2.159 3.556 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.645 1.465 4.374 1.00 0.00 C ATOM 0 H LEU A 36 6.575 4.631 5.548 1.00 0.00 H new ATOM 0 HA LEU A 36 9.116 3.948 6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.353 4.385 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.938 3.891 4.493 1.00 0.00 H new ATOM 0 HG LEU A 36 8.005 2.084 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.096 1.108 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.510 2.768 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.789 2.457 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.321 0.426 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.111 1.748 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.366 1.580 5.184 1.00 0.00 H new ATOM 570 N ARG A 37 8.291 6.917 6.238 1.00 0.00 N ATOM 571 CA ARG A 37 8.695 8.320 6.254 1.00 0.00 C ATOM 572 C ARG A 37 9.134 8.794 4.873 1.00 0.00 C ATOM 573 O ARG A 37 9.967 9.692 4.753 1.00 0.00 O ATOM 574 CB ARG A 37 9.825 8.543 7.262 1.00 0.00 C ATOM 575 CG ARG A 37 9.789 9.911 7.924 1.00 0.00 C ATOM 576 CD ARG A 37 11.064 10.697 7.657 1.00 0.00 C ATOM 577 NE ARG A 37 11.457 11.507 8.808 1.00 0.00 N ATOM 578 CZ ARG A 37 12.553 12.261 8.844 1.00 0.00 C ATOM 579 NH1 ARG A 37 13.367 12.313 7.797 1.00 0.00 N ATOM 580 NH2 ARG A 37 12.837 12.966 9.931 1.00 0.00 N ATOM 0 H ARG A 37 7.293 6.767 6.387 1.00 0.00 H new ATOM 0 HA ARG A 37 7.825 8.905 6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.770 7.774 8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.782 8.419 6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.931 10.472 7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.653 9.792 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.870 10.007 7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.917 11.343 6.792 1.00 0.00 H new ATOM 0 HE ARG A 37 10.856 11.494 9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.154 11.773 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.205 12.893 7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.215 12.930 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.677 13.544 9.959 1.00 0.00 H new ATOM 594 N MET A 38 8.557 8.202 3.833 1.00 0.00 N ATOM 595 CA MET A 38 8.884 8.589 2.467 1.00 0.00 C ATOM 596 C MET A 38 7.794 9.496 1.908 1.00 0.00 C ATOM 597 O MET A 38 6.613 9.148 1.928 1.00 0.00 O ATOM 598 CB MET A 38 9.043 7.350 1.584 1.00 0.00 C ATOM 599 CG MET A 38 10.472 6.836 1.509 1.00 0.00 C ATOM 600 SD MET A 38 10.579 5.178 0.811 1.00 0.00 S ATOM 601 CE MET A 38 12.268 5.166 0.217 1.00 0.00 C ATOM 0 H MET A 38 7.865 7.457 3.909 1.00 0.00 H new ATOM 0 HA MET A 38 9.829 9.132 2.474 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.400 6.557 1.966 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.697 7.584 0.577 1.00 0.00 H new ATOM 0 HG2 MET A 38 11.068 7.519 0.904 1.00 0.00 H new ATOM 0 HG3 MET A 38 10.906 6.834 2.509 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.367 4.432 -0.583 1.00 0.00 H new ATOM 0 HE2 MET A 38 12.527 6.154 -0.163 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.939 4.904 1.035 1.00 0.00 H new ATOM 611 N PHE A 39 8.195 10.663 1.418 1.00 0.00 N ATOM 612 CA PHE A 39 7.246 11.623 0.864 1.00 0.00 C ATOM 613 C PHE A 39 7.652 12.046 -0.545 1.00 0.00 C ATOM 614 O PHE A 39 8.712 11.660 -1.039 1.00 0.00 O ATOM 615 CB PHE A 39 7.142 12.847 1.778 1.00 0.00 C ATOM 616 CG PHE A 39 7.164 12.503 3.242 1.00 0.00 C ATOM 617 CD1 PHE A 39 8.359 12.480 3.943 1.00 0.00 C ATOM 618 CD2 PHE A 39 5.991 12.195 3.916 1.00 0.00 C ATOM 619 CE1 PHE A 39 8.386 12.158 5.287 1.00 0.00 C ATOM 620 CE2 PHE A 39 6.012 11.874 5.260 1.00 0.00 C ATOM 621 CZ PHE A 39 7.210 11.855 5.946 1.00 0.00 C ATOM 0 H PHE A 39 9.168 10.968 1.393 1.00 0.00 H new ATOM 0 HA PHE A 39 6.270 11.141 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.967 13.526 1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.220 13.383 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.281 12.717 3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.051 12.206 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.325 12.143 5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.092 11.638 5.774 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.228 11.604 6.996 1.00 0.00 H new ATOM 631 N ARG A 40 6.802 12.843 -1.185 1.00 0.00 N ATOM 632 CA ARG A 40 7.071 13.321 -2.538 1.00 0.00 C ATOM 633 C ARG A 40 7.290 12.153 -3.494 1.00 0.00 C ATOM 634 O ARG A 40 8.196 12.180 -4.328 1.00 0.00 O ATOM 635 CB ARG A 40 8.297 14.237 -2.541 1.00 0.00 C ATOM 636 CG ARG A 40 8.263 15.303 -1.459 1.00 0.00 C ATOM 637 CD ARG A 40 8.856 16.615 -1.947 1.00 0.00 C ATOM 638 NE ARG A 40 8.785 17.660 -0.929 1.00 0.00 N ATOM 639 CZ ARG A 40 8.894 18.960 -1.192 1.00 0.00 C ATOM 640 NH1 ARG A 40 9.080 19.380 -2.437 1.00 0.00 N ATOM 641 NH2 ARG A 40 8.816 19.844 -0.206 1.00 0.00 N ATOM 0 H ARG A 40 5.921 13.172 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 40 6.203 13.886 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.194 13.630 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.376 14.721 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.234 15.465 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.817 14.955 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.896 16.458 -2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.325 16.943 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 40 8.644 17.377 0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.140 18.705 -3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.163 20.378 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.673 19.527 0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.899 20.841 -0.407 1.00 0.00 H new ATOM 655 N GLY A 41 6.456 11.127 -3.365 1.00 0.00 N ATOM 656 CA GLY A 41 6.575 9.963 -4.221 1.00 0.00 C ATOM 657 C GLY A 41 7.916 9.268 -4.073 1.00 0.00 C ATOM 658 O GLY A 41 8.325 8.505 -4.948 1.00 0.00 O ATOM 0 H GLY A 41 5.700 11.081 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.777 9.259 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.438 10.264 -5.260 1.00 0.00 H new ATOM 662 N SER A 42 8.601 9.532 -2.963 1.00 0.00 N ATOM 663 CA SER A 42 9.901 8.925 -2.707 1.00 0.00 C ATOM 664 C SER A 42 9.792 7.405 -2.659 1.00 0.00 C ATOM 665 O SER A 42 10.710 6.694 -3.068 1.00 0.00 O ATOM 666 CB SER A 42 10.481 9.448 -1.391 1.00 0.00 C ATOM 667 OG SER A 42 11.744 8.866 -1.123 1.00 0.00 O ATOM 0 H SER A 42 8.277 10.161 -2.229 1.00 0.00 H new ATOM 0 HA SER A 42 10.569 9.198 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.580 10.532 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.794 9.226 -0.574 1.00 0.00 H new ATOM 0 HG SER A 42 12.094 9.218 -0.278 1.00 0.00 H new ATOM 673 N LEU A 43 8.663 6.914 -2.161 1.00 0.00 N ATOM 674 CA LEU A 43 8.433 5.477 -2.064 1.00 0.00 C ATOM 675 C LEU A 43 8.369 4.846 -3.450 1.00 0.00 C ATOM 676 O LEU A 43 9.067 3.875 -3.734 1.00 0.00 O ATOM 677 CB LEU A 43 7.137 5.195 -1.301 1.00 0.00 C ATOM 678 CG LEU A 43 6.875 3.718 -0.991 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.239 3.402 0.452 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.421 3.363 -1.263 1.00 0.00 C ATOM 0 H LEU A 43 7.893 7.489 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 43 9.268 5.035 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.158 5.749 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.300 5.583 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 43 7.504 3.115 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.046 2.348 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.295 3.615 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.637 4.016 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.255 2.310 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.773 3.975 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.191 3.549 -2.312 1.00 0.00 H new ATOM 692 N TYR A 44 7.526 5.409 -4.312 1.00 0.00 N ATOM 693 CA TYR A 44 7.370 4.903 -5.670 1.00 0.00 C ATOM 694 C TYR A 44 8.642 5.124 -6.484 1.00 0.00 C ATOM 695 O TYR A 44 9.040 4.269 -7.275 1.00 0.00 O ATOM 696 CB TYR A 44 6.184 5.583 -6.356 1.00 0.00 C ATOM 697 CG TYR A 44 4.878 5.415 -5.612 1.00 0.00 C ATOM 698 CD1 TYR A 44 4.462 4.164 -5.176 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.064 6.509 -5.345 1.00 0.00 C ATOM 700 CE1 TYR A 44 3.269 4.006 -4.496 1.00 0.00 C ATOM 701 CE2 TYR A 44 2.870 6.359 -4.665 1.00 0.00 C ATOM 702 CZ TYR A 44 2.477 5.106 -4.242 1.00 0.00 C ATOM 703 OH TYR A 44 1.290 4.954 -3.565 1.00 0.00 O ATOM 0 H TYR A 44 6.941 6.216 -4.093 1.00 0.00 H new ATOM 0 HA TYR A 44 7.181 3.831 -5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.398 6.646 -6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.075 5.177 -7.362 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.081 3.301 -5.371 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.369 7.492 -5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.959 3.026 -4.165 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.248 7.219 -4.466 1.00 0.00 H new ATOM 0 HH TYR A 44 0.855 5.827 -3.468 1.00 0.00 H new ATOM 713 N LYS A 45 9.277 6.274 -6.283 1.00 0.00 N ATOM 714 CA LYS A 45 10.504 6.604 -6.997 1.00 0.00 C ATOM 715 C LYS A 45 11.632 5.661 -6.594 1.00 0.00 C ATOM 716 O LYS A 45 12.420 5.223 -7.433 1.00 0.00 O ATOM 717 CB LYS A 45 10.908 8.053 -6.720 1.00 0.00 C ATOM 718 CG LYS A 45 11.463 8.773 -7.937 1.00 0.00 C ATOM 719 CD LYS A 45 12.977 8.652 -8.014 1.00 0.00 C ATOM 720 CE LYS A 45 13.663 9.910 -7.505 1.00 0.00 C ATOM 721 NZ LYS A 45 13.187 11.128 -8.217 1.00 0.00 N ATOM 0 H LYS A 45 8.962 6.993 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 45 10.319 6.487 -8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.040 8.599 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.656 8.068 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.017 8.358 -8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.183 9.826 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.305 7.794 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.276 8.465 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.477 10.018 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.741 9.813 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.966 11.812 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.860 10.868 -9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.401 11.556 -7.686 1.00 0.00 H new ATOM 735 N ARG A 46 11.701 5.349 -5.304 1.00 0.00 N ATOM 736 CA ARG A 46 12.730 4.454 -4.786 1.00 0.00 C ATOM 737 C ARG A 46 12.325 2.990 -4.959 1.00 0.00 C ATOM 738 O ARG A 46 13.160 2.092 -4.859 1.00 0.00 O ATOM 739 CB ARG A 46 12.994 4.748 -3.309 1.00 0.00 C ATOM 740 CG ARG A 46 14.303 4.167 -2.798 1.00 0.00 C ATOM 741 CD ARG A 46 15.046 5.155 -1.912 1.00 0.00 C ATOM 742 NE ARG A 46 16.156 4.525 -1.201 1.00 0.00 N ATOM 743 CZ ARG A 46 17.300 4.167 -1.780 1.00 0.00 C ATOM 744 NH1 ARG A 46 17.489 4.376 -3.077 1.00 0.00 N ATOM 745 NH2 ARG A 46 18.258 3.600 -1.060 1.00 0.00 N ATOM 0 H ARG A 46 11.056 5.703 -4.597 1.00 0.00 H new ATOM 0 HA ARG A 46 13.643 4.628 -5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.001 5.827 -3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.172 4.348 -2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.102 3.254 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.933 3.890 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.425 5.975 -2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.353 5.588 -1.191 1.00 0.00 H new ATOM 0 HE ARG A 46 16.048 4.349 -0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.756 4.813 -3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.368 4.100 -3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.118 3.438 -0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.135 3.326 -1.503 1.00 0.00 H new ATOM 759 N TYR A 47 11.041 2.756 -5.219 1.00 0.00 N ATOM 760 CA TYR A 47 10.532 1.402 -5.405 1.00 0.00 C ATOM 761 C TYR A 47 9.616 1.328 -6.628 1.00 0.00 C ATOM 762 O TYR A 47 8.416 1.083 -6.502 1.00 0.00 O ATOM 763 CB TYR A 47 9.774 0.950 -4.155 1.00 0.00 C ATOM 764 CG TYR A 47 10.654 0.779 -2.938 1.00 0.00 C ATOM 765 CD1 TYR A 47 10.983 1.861 -2.132 1.00 0.00 C ATOM 766 CD2 TYR A 47 11.152 -0.468 -2.595 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.787 1.700 -1.018 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.955 -0.640 -1.487 1.00 0.00 C ATOM 769 CZ TYR A 47 12.270 0.448 -0.700 1.00 0.00 C ATOM 770 OH TYR A 47 13.069 0.283 0.407 1.00 0.00 O ATOM 0 H TYR A 47 10.335 3.487 -5.305 1.00 0.00 H new ATOM 0 HA TYR A 47 11.380 0.737 -5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.996 1.679 -3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.274 0.005 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.606 2.842 -2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.906 -1.323 -3.208 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.035 2.550 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.335 -1.620 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 47 13.020 -0.648 0.710 1.00 0.00 H new ATOM 780 N PRO A 48 10.172 1.544 -7.835 1.00 0.00 N ATOM 781 CA PRO A 48 9.397 1.509 -9.082 1.00 0.00 C ATOM 782 C PRO A 48 8.779 0.142 -9.353 1.00 0.00 C ATOM 783 O PRO A 48 7.701 0.045 -9.937 1.00 0.00 O ATOM 784 CB PRO A 48 10.428 1.851 -10.165 1.00 0.00 C ATOM 785 CG PRO A 48 11.557 2.494 -9.437 1.00 0.00 C ATOM 786 CD PRO A 48 11.590 1.851 -8.082 1.00 0.00 C ATOM 0 HA PRO A 48 8.554 2.199 -9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.758 0.956 -10.692 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.007 2.524 -10.912 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.499 2.343 -9.964 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.407 3.570 -9.355 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.206 0.952 -8.075 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.997 2.522 -7.325 1.00 0.00 H new ATOM 794 N SER A 49 9.464 -0.916 -8.928 1.00 0.00 N ATOM 795 CA SER A 49 8.969 -2.273 -9.133 1.00 0.00 C ATOM 796 C SER A 49 7.784 -2.574 -8.216 1.00 0.00 C ATOM 797 O SER A 49 7.118 -3.598 -8.366 1.00 0.00 O ATOM 798 CB SER A 49 10.084 -3.290 -8.892 1.00 0.00 C ATOM 799 OG SER A 49 9.819 -4.507 -9.569 1.00 0.00 O ATOM 0 H SER A 49 10.359 -0.860 -8.442 1.00 0.00 H new ATOM 0 HA SER A 49 8.631 -2.351 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.035 -2.880 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.184 -3.479 -7.823 1.00 0.00 H new ATOM 0 HG SER A 49 8.864 -4.717 -9.503 1.00 0.00 H new ATOM 805 N LEU A 50 7.529 -1.680 -7.264 1.00 0.00 N ATOM 806 CA LEU A 50 6.429 -1.854 -6.325 1.00 0.00 C ATOM 807 C LEU A 50 5.081 -1.696 -7.021 1.00 0.00 C ATOM 808 O LEU A 50 4.840 -0.707 -7.713 1.00 0.00 O ATOM 809 CB LEU A 50 6.549 -0.843 -5.184 1.00 0.00 C ATOM 810 CG LEU A 50 6.115 -1.356 -3.811 1.00 0.00 C ATOM 811 CD1 LEU A 50 7.037 -2.467 -3.340 1.00 0.00 C ATOM 812 CD2 LEU A 50 6.094 -0.216 -2.804 1.00 0.00 C ATOM 0 H LEU A 50 8.071 -0.827 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 50 6.486 -2.864 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.586 -0.513 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.951 0.034 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 50 5.107 -1.762 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.712 -2.819 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.005 -3.292 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.057 -2.088 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.783 -0.596 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.091 0.216 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.392 0.549 -3.136 1.00 0.00 H new ATOM 824 N TRP A 51 4.205 -2.675 -6.827 1.00 0.00 N ATOM 825 CA TRP A 51 2.876 -2.650 -7.428 1.00 0.00 C ATOM 826 C TRP A 51 2.013 -1.570 -6.781 1.00 0.00 C ATOM 827 O TRP A 51 1.753 -1.613 -5.579 1.00 0.00 O ATOM 828 CB TRP A 51 2.200 -4.015 -7.277 1.00 0.00 C ATOM 829 CG TRP A 51 0.865 -4.093 -7.950 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.591 -4.588 -9.192 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.380 -3.657 -7.406 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.756 -4.486 -9.450 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.373 -3.917 -8.367 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.748 -3.074 -6.196 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.713 -3.610 -8.149 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.075 -2.768 -5.977 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.045 -3.036 -6.950 1.00 0.00 C ATOM 0 H TRP A 51 4.392 -3.499 -6.256 1.00 0.00 H new ATOM 0 HA TRP A 51 2.985 -2.422 -8.488 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.853 -4.784 -7.691 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.078 -4.237 -6.217 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.323 -4.999 -9.871 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.220 -4.785 -10.308 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.005 -2.865 -5.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.464 -3.817 -8.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.370 -2.315 -5.042 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.077 -2.785 -6.751 1.00 0.00 H new ATOM 848 N ARG A 52 1.572 -0.603 -7.581 1.00 0.00 N ATOM 849 CA ARG A 52 0.737 0.483 -7.077 1.00 0.00 C ATOM 850 C ARG A 52 -0.379 0.823 -8.061 1.00 0.00 C ATOM 851 O ARG A 52 -0.181 0.785 -9.275 1.00 0.00 O ATOM 852 CB ARG A 52 1.591 1.725 -6.808 1.00 0.00 C ATOM 853 CG ARG A 52 2.353 2.215 -8.031 1.00 0.00 C ATOM 854 CD ARG A 52 1.973 3.641 -8.394 1.00 0.00 C ATOM 855 NE ARG A 52 0.925 3.687 -9.411 1.00 0.00 N ATOM 856 CZ ARG A 52 0.179 4.761 -9.659 1.00 0.00 C ATOM 857 NH1 ARG A 52 0.362 5.880 -8.967 1.00 0.00 N ATOM 858 NH2 ARG A 52 -0.752 4.718 -10.601 1.00 0.00 N ATOM 0 H ARG A 52 1.778 -0.549 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 52 0.281 0.151 -6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.948 2.527 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.302 1.502 -6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.424 2.161 -7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.148 1.557 -8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.634 4.164 -7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.854 4.170 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 52 0.755 2.847 -9.963 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.077 5.919 -8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.213 6.700 -9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.897 3.862 -11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.324 5.541 -10.791 1.00 0.00 H new ATOM 872 N ARG A 53 -1.551 1.165 -7.530 1.00 0.00 N ATOM 873 CA ARG A 53 -2.693 1.519 -8.369 1.00 0.00 C ATOM 874 C ARG A 53 -3.655 2.445 -7.626 1.00 0.00 C ATOM 875 O ARG A 53 -3.578 2.589 -6.407 1.00 0.00 O ATOM 876 CB ARG A 53 -3.425 0.254 -8.845 1.00 0.00 C ATOM 877 CG ARG A 53 -4.512 -0.245 -7.899 1.00 0.00 C ATOM 878 CD ARG A 53 -5.541 -1.098 -8.626 1.00 0.00 C ATOM 879 NE ARG A 53 -4.919 -2.109 -9.478 1.00 0.00 N ATOM 880 CZ ARG A 53 -5.579 -3.135 -10.010 1.00 0.00 C ATOM 881 NH1 ARG A 53 -6.877 -3.290 -9.780 1.00 0.00 N ATOM 882 NH2 ARG A 53 -4.939 -4.009 -10.774 1.00 0.00 N ATOM 0 H ARG A 53 -1.734 1.204 -6.527 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.317 2.053 -9.242 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.873 0.454 -9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.693 -0.541 -8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.058 -0.827 -7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.008 0.606 -7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.185 -1.588 -7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.178 -0.456 -9.234 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.922 -2.024 -9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.374 -2.621 -9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.377 -4.078 -10.191 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.941 -3.895 -10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.444 -4.796 -11.182 1.00 0.00 H new ATOM 896 N LEU A 54 -4.571 3.057 -8.370 1.00 0.00 N ATOM 897 CA LEU A 54 -5.559 3.954 -7.785 1.00 0.00 C ATOM 898 C LEU A 54 -6.848 3.198 -7.478 1.00 0.00 C ATOM 899 O LEU A 54 -7.153 2.190 -8.117 1.00 0.00 O ATOM 900 CB LEU A 54 -5.847 5.121 -8.730 1.00 0.00 C ATOM 901 CG LEU A 54 -4.913 6.318 -8.568 1.00 0.00 C ATOM 902 CD1 LEU A 54 -4.235 6.655 -9.886 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.673 7.524 -8.033 1.00 0.00 C ATOM 0 H LEU A 54 -4.649 2.947 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.155 4.350 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.782 4.763 -9.758 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.873 5.454 -8.572 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.141 6.051 -7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.574 7.511 -9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.653 5.798 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.991 6.898 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.989 8.366 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.469 7.790 -8.728 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.105 7.280 -7.062 1.00 0.00 H new ATOM 915 N ALA A 55 -7.595 3.680 -6.493 1.00 0.00 N ATOM 916 CA ALA A 55 -8.842 3.036 -6.101 1.00 0.00 C ATOM 917 C ALA A 55 -10.058 3.839 -6.548 1.00 0.00 C ATOM 918 O ALA A 55 -10.069 5.068 -6.475 1.00 0.00 O ATOM 919 CB ALA A 55 -8.877 2.830 -4.594 1.00 0.00 C ATOM 0 H ALA A 55 -7.360 4.512 -5.952 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.883 2.067 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.814 2.348 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.041 2.199 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.802 3.795 -4.093 1.00 0.00 H new ATOM 925 N THR A 56 -11.088 3.129 -6.996 1.00 0.00 N ATOM 926 CA THR A 56 -12.325 3.759 -7.444 1.00 0.00 C ATOM 927 C THR A 56 -13.163 4.182 -6.244 1.00 0.00 C ATOM 928 O THR A 56 -12.844 3.839 -5.110 1.00 0.00 O ATOM 929 CB THR A 56 -13.126 2.795 -8.318 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.769 1.814 -7.521 1.00 0.00 O ATOM 931 CG2 THR A 56 -12.282 2.071 -9.345 1.00 0.00 C ATOM 0 H THR A 56 -11.090 2.111 -7.059 1.00 0.00 H new ATOM 0 HA THR A 56 -12.071 4.641 -8.031 1.00 0.00 H new ATOM 0 HB THR A 56 -13.851 3.417 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.278 1.207 -8.097 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.914 1.403 -9.930 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.811 2.798 -10.007 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.512 1.490 -8.838 1.00 0.00 H new ATOM 939 N VAL A 57 -14.234 4.923 -6.496 1.00 0.00 N ATOM 940 CA VAL A 57 -15.107 5.372 -5.418 1.00 0.00 C ATOM 941 C VAL A 57 -15.699 4.180 -4.672 1.00 0.00 C ATOM 942 O VAL A 57 -15.857 4.211 -3.451 1.00 0.00 O ATOM 943 CB VAL A 57 -16.251 6.260 -5.946 1.00 0.00 C ATOM 944 CG1 VAL A 57 -17.064 6.829 -4.794 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.700 7.376 -6.822 1.00 0.00 C ATOM 0 H VAL A 57 -14.518 5.224 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.496 5.962 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.912 5.643 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.866 7.453 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.492 6.012 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.418 7.430 -4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.522 7.993 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.015 7.992 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.168 6.944 -7.670 1.00 0.00 H new ATOM 955 N GLU A 58 -16.016 3.124 -5.414 1.00 0.00 N ATOM 956 CA GLU A 58 -16.579 1.917 -4.822 1.00 0.00 C ATOM 957 C GLU A 58 -15.526 1.183 -3.998 1.00 0.00 C ATOM 958 O GLU A 58 -15.755 0.846 -2.834 1.00 0.00 O ATOM 959 CB GLU A 58 -17.127 0.994 -5.912 1.00 0.00 C ATOM 960 CG GLU A 58 -18.272 1.603 -6.705 1.00 0.00 C ATOM 961 CD GLU A 58 -19.618 1.392 -6.042 1.00 0.00 C ATOM 962 OE1 GLU A 58 -19.989 0.221 -5.811 1.00 0.00 O ATOM 963 OE2 GLU A 58 -20.302 2.396 -5.753 1.00 0.00 O ATOM 0 H GLU A 58 -15.893 3.080 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.397 2.209 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -16.319 0.734 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.467 0.065 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.096 2.672 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.290 1.166 -7.703 1.00 0.00 H new ATOM 970 N GLU A 59 -14.368 0.942 -4.607 1.00 0.00 N ATOM 971 CA GLU A 59 -13.278 0.251 -3.931 1.00 0.00 C ATOM 972 C GLU A 59 -12.818 1.031 -2.704 1.00 0.00 C ATOM 973 O GLU A 59 -12.645 0.463 -1.626 1.00 0.00 O ATOM 974 CB GLU A 59 -12.103 0.047 -4.889 1.00 0.00 C ATOM 975 CG GLU A 59 -12.383 -0.964 -5.989 1.00 0.00 C ATOM 976 CD GLU A 59 -11.749 -0.577 -7.311 1.00 0.00 C ATOM 977 OE1 GLU A 59 -10.697 0.096 -7.290 1.00 0.00 O ATOM 978 OE2 GLU A 59 -12.305 -0.947 -8.367 1.00 0.00 O ATOM 0 H GLU A 59 -14.162 1.216 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.645 -0.722 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.845 1.004 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.233 -0.280 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.009 -1.941 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.460 -1.062 -6.122 1.00 0.00 H new ATOM 985 N ARG A 60 -12.626 2.336 -2.874 1.00 0.00 N ATOM 986 CA ARG A 60 -12.187 3.191 -1.779 1.00 0.00 C ATOM 987 C ARG A 60 -13.201 3.169 -0.643 1.00 0.00 C ATOM 988 O ARG A 60 -12.831 3.093 0.529 1.00 0.00 O ATOM 989 CB ARG A 60 -11.958 4.624 -2.275 1.00 0.00 C ATOM 990 CG ARG A 60 -13.234 5.419 -2.493 1.00 0.00 C ATOM 991 CD ARG A 60 -12.932 6.819 -3.000 1.00 0.00 C ATOM 992 NE ARG A 60 -12.384 6.803 -4.355 1.00 0.00 N ATOM 993 CZ ARG A 60 -12.345 7.869 -5.152 1.00 0.00 C ATOM 994 NH1 ARG A 60 -12.821 9.036 -4.735 1.00 0.00 N ATOM 995 NH2 ARG A 60 -11.828 7.767 -6.368 1.00 0.00 N ATOM 0 H ARG A 60 -12.768 2.823 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.241 2.806 -1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.334 5.151 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.401 4.588 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.871 4.900 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.791 5.481 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.844 7.415 -2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.224 7.303 -2.328 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.009 5.924 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.219 9.119 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.788 9.849 -5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.460 6.873 -6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.798 8.583 -6.979 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.484 3.210 -0.991 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.537 3.164 0.014 1.00 0.00 C ATOM 1011 C LYS A 61 -15.392 1.891 0.836 1.00 0.00 C ATOM 1012 O LYS A 61 -15.489 1.912 2.064 1.00 0.00 O ATOM 1013 CB LYS A 61 -16.917 3.216 -0.646 1.00 0.00 C ATOM 1014 CG LYS A 61 -17.547 4.600 -0.630 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.493 4.795 -1.804 1.00 0.00 C ATOM 1016 CE LYS A 61 -19.038 6.213 -1.848 1.00 0.00 C ATOM 1017 NZ LYS A 61 -19.836 6.464 -3.081 1.00 0.00 N ATOM 0 H LYS A 61 -14.816 3.274 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.443 4.031 0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.830 2.877 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.581 2.518 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.090 4.743 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.764 5.358 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.970 4.576 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.319 4.088 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.660 6.390 -0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.211 6.921 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.617 7.411 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.599 5.750 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.850 6.406 -2.856 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.129 0.787 0.143 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.936 -0.499 0.796 1.00 0.00 C ATOM 1033 C LYS A 62 -13.645 -0.488 1.608 1.00 0.00 C ATOM 1034 O LYS A 62 -13.561 -1.104 2.670 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.895 -1.623 -0.240 1.00 0.00 C ATOM 1036 CG LYS A 62 -16.270 -2.112 -0.664 1.00 0.00 C ATOM 1037 CD LYS A 62 -16.357 -2.304 -2.169 1.00 0.00 C ATOM 1038 CE LYS A 62 -17.387 -3.360 -2.538 1.00 0.00 C ATOM 1039 NZ LYS A 62 -17.225 -3.825 -3.943 1.00 0.00 N ATOM 0 H LYS A 62 -15.045 0.760 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.775 -0.676 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.355 -1.274 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.331 -2.461 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.492 -3.054 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -17.026 -1.395 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -16.619 -1.358 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.381 -2.595 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.295 -4.210 -1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -18.389 -2.953 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.945 -4.544 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.338 -3.019 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.278 -4.237 -4.065 1.00 0.00 H new ATOM 1053 N ILE A 63 -12.641 0.223 1.098 1.00 0.00 N ATOM 1054 CA ILE A 63 -11.351 0.322 1.773 1.00 0.00 C ATOM 1055 C ILE A 63 -11.511 0.933 3.162 1.00 0.00 C ATOM 1056 O ILE A 63 -10.929 0.452 4.134 1.00 0.00 O ATOM 1057 CB ILE A 63 -10.348 1.166 0.952 1.00 0.00 C ATOM 1058 CG1 ILE A 63 -9.909 0.400 -0.298 1.00 0.00 C ATOM 1059 CG2 ILE A 63 -9.131 1.538 1.793 1.00 0.00 C ATOM 1060 CD1 ILE A 63 -9.316 1.285 -1.371 1.00 0.00 C ATOM 0 H ILE A 63 -12.697 0.738 0.220 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.959 -0.690 1.869 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.848 2.086 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.175 -0.354 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.768 -0.131 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.441 2.131 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.450 2.119 2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.630 0.630 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.027 0.675 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.055 2.023 -1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.438 1.796 -0.977 1.00 0.00 H new ATOM 1072 N VAL A 64 -12.297 1.999 3.246 1.00 0.00 N ATOM 1073 CA VAL A 64 -12.528 2.681 4.513 1.00 0.00 C ATOM 1074 C VAL A 64 -13.245 1.778 5.514 1.00 0.00 C ATOM 1075 O VAL A 64 -12.823 1.652 6.663 1.00 0.00 O ATOM 1076 CB VAL A 64 -13.358 3.964 4.311 1.00 0.00 C ATOM 1077 CG1 VAL A 64 -13.471 4.744 5.613 1.00 0.00 C ATOM 1078 CG2 VAL A 64 -12.747 4.827 3.216 1.00 0.00 C ATOM 0 H VAL A 64 -12.786 2.410 2.451 1.00 0.00 H new ATOM 0 HA VAL A 64 -11.548 2.943 4.911 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.363 3.677 4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.061 5.646 5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.958 4.125 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.475 5.021 5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.346 5.729 3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.730 5.103 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.727 4.268 2.281 1.00 0.00 H new ATOM 1088 N ALA A 65 -14.334 1.159 5.074 1.00 0.00 N ATOM 1089 CA ALA A 65 -15.115 0.277 5.934 1.00 0.00 C ATOM 1090 C ALA A 65 -14.396 -1.044 6.205 1.00 0.00 C ATOM 1091 O ALA A 65 -14.456 -1.575 7.314 1.00 0.00 O ATOM 1092 CB ALA A 65 -16.479 0.014 5.314 1.00 0.00 C ATOM 0 H ALA A 65 -14.697 1.252 4.125 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.243 0.782 6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.053 -0.646 5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -17.011 0.957 5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.351 -0.459 4.340 1.00 0.00 H new ATOM 1098 N SER A 66 -13.733 -1.578 5.184 1.00 0.00 N ATOM 1099 CA SER A 66 -13.023 -2.846 5.316 1.00 0.00 C ATOM 1100 C SER A 66 -11.675 -2.673 6.012 1.00 0.00 C ATOM 1101 O SER A 66 -11.366 -3.387 6.966 1.00 0.00 O ATOM 1102 CB SER A 66 -12.817 -3.480 3.938 1.00 0.00 C ATOM 1103 OG SER A 66 -11.814 -2.799 3.207 1.00 0.00 O ATOM 0 H SER A 66 -13.672 -1.154 4.258 1.00 0.00 H new ATOM 0 HA SER A 66 -13.636 -3.502 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.538 -4.527 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.754 -3.459 3.381 1.00 0.00 H new ATOM 0 HG SER A 66 -12.063 -1.856 3.111 1.00 0.00 H new ATOM 1109 N SER A 67 -10.871 -1.732 5.527 1.00 0.00 N ATOM 1110 CA SER A 67 -9.554 -1.486 6.106 1.00 0.00 C ATOM 1111 C SER A 67 -9.660 -0.734 7.428 1.00 0.00 C ATOM 1112 O SER A 67 -9.155 -1.191 8.454 1.00 0.00 O ATOM 1113 CB SER A 67 -8.683 -0.696 5.127 1.00 0.00 C ATOM 1114 OG SER A 67 -7.308 -0.959 5.343 1.00 0.00 O ATOM 0 H SER A 67 -11.106 -1.130 4.738 1.00 0.00 H new ATOM 0 HA SER A 67 -9.091 -2.453 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.951 -0.959 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.875 0.371 5.243 1.00 0.00 H new ATOM 0 HG SER A 67 -7.186 -1.908 5.556 1.00 0.00 H new ATOM 1120 N HIS A 68 -10.312 0.422 7.399 1.00 0.00 N ATOM 1121 CA HIS A 68 -10.473 1.237 8.598 1.00 0.00 C ATOM 1122 C HIS A 68 -11.765 0.895 9.329 1.00 0.00 C ATOM 1123 O HIS A 68 -12.693 0.333 8.746 1.00 0.00 O ATOM 1124 CB HIS A 68 -10.453 2.721 8.234 1.00 0.00 C ATOM 1125 CG HIS A 68 -9.226 3.126 7.480 1.00 0.00 C ATOM 1126 ND1 HIS A 68 -9.262 3.881 6.326 1.00 0.00 N ATOM 1127 CD2 HIS A 68 -7.920 2.865 7.717 1.00 0.00 C ATOM 1128 CE1 HIS A 68 -8.030 4.067 5.887 1.00 0.00 C ATOM 1129 NE2 HIS A 68 -7.197 3.462 6.713 1.00 0.00 N ATOM 0 H HIS A 68 -10.737 0.816 6.560 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.639 1.021 9.266 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -11.333 2.953 7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.523 3.313 9.146 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.107 4.239 5.881 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.520 2.294 8.542 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -7.752 4.620 5.002 1.00 0.00 H new ATOM 1138 N GLY A 69 -11.818 1.237 10.611 1.00 0.00 N ATOM 1139 CA GLY A 69 -12.999 0.961 11.406 1.00 0.00 C ATOM 1140 C GLY A 69 -12.779 -0.161 12.402 1.00 0.00 C ATOM 1141 O GLY A 69 -11.976 -1.061 12.163 1.00 0.00 O ATOM 0 H GLY A 69 -11.062 1.701 11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.293 1.865 11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.825 0.699 10.745 1.00 0.00 H new ATOM 1145 N LYS A 70 -13.496 -0.102 13.522 1.00 0.00 N ATOM 1146 CA LYS A 70 -13.382 -1.119 14.566 1.00 0.00 C ATOM 1147 C LYS A 70 -11.984 -1.137 15.185 1.00 0.00 C ATOM 1148 O LYS A 70 -11.636 -2.060 15.921 1.00 0.00 O ATOM 1149 CB LYS A 70 -13.707 -2.498 13.999 1.00 0.00 C ATOM 1150 CG LYS A 70 -15.196 -2.758 13.838 1.00 0.00 C ATOM 1151 CD LYS A 70 -15.918 -2.712 15.176 1.00 0.00 C ATOM 1152 CE LYS A 70 -16.930 -3.839 15.302 1.00 0.00 C ATOM 1153 NZ LYS A 70 -17.939 -3.808 14.206 1.00 0.00 N ATOM 0 H LYS A 70 -14.163 0.641 13.731 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.098 -0.867 15.348 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.222 -2.606 13.029 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.283 -3.259 14.654 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.626 -2.015 13.166 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.348 -3.733 13.375 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.191 -2.782 15.985 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.425 -1.753 15.285 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.410 -4.797 15.289 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.437 -3.765 16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.703 -4.481 14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.334 -2.849 14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.485 -4.072 13.308 1.00 0.00 H new ATOM 1167 N LYS A 71 -11.188 -0.118 14.883 1.00 0.00 N ATOM 1168 CA LYS A 71 -9.832 -0.026 15.413 1.00 0.00 C ATOM 1169 C LYS A 71 -9.833 0.584 16.811 1.00 0.00 C ATOM 1170 O LYS A 71 -10.719 1.366 17.157 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.954 0.809 14.479 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.429 0.033 13.283 1.00 0.00 C ATOM 1173 CD LYS A 71 -7.275 -0.875 13.671 1.00 0.00 C ATOM 1174 CE LYS A 71 -6.806 -1.715 12.493 1.00 0.00 C ATOM 1175 NZ LYS A 71 -5.542 -2.441 12.797 1.00 0.00 N ATOM 0 H LYS A 71 -11.457 0.655 14.275 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.425 -1.035 15.478 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.528 1.665 14.123 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.110 1.204 15.044 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.234 -0.563 12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.102 0.730 12.511 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.446 -0.273 14.043 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.584 -1.530 14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.582 -2.433 12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.656 -1.072 11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.256 -3.002 11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.794 -1.755 13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.692 -3.074 13.609 1.00 0.00 H new ATOM 1189 N THR A 72 -8.834 0.223 17.609 1.00 0.00 N ATOM 1190 CA THR A 72 -8.719 0.735 18.970 1.00 0.00 C ATOM 1191 C THR A 72 -7.631 1.801 19.059 1.00 0.00 C ATOM 1192 O THR A 72 -6.441 1.493 19.001 1.00 0.00 O ATOM 1193 CB THR A 72 -8.413 -0.405 19.942 1.00 0.00 C ATOM 1194 OG1 THR A 72 -7.300 -1.160 19.495 1.00 0.00 O ATOM 1195 CG2 THR A 72 -9.571 -1.362 20.126 1.00 0.00 C ATOM 0 H THR A 72 -8.092 -0.422 17.337 1.00 0.00 H new ATOM 0 HA THR A 72 -9.672 1.189 19.243 1.00 0.00 H new ATOM 0 HB THR A 72 -8.206 0.078 20.897 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.646 -0.562 19.077 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.287 -2.146 20.828 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.432 -0.820 20.517 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.829 -1.810 19.166 1.00 0.00 H new ATOM 1203 N LYS A 73 -8.048 3.055 19.201 1.00 0.00 N ATOM 1204 CA LYS A 73 -7.109 4.166 19.298 1.00 0.00 C ATOM 1205 C LYS A 73 -7.822 5.446 19.732 1.00 0.00 C ATOM 1206 O LYS A 73 -8.407 6.148 18.906 1.00 0.00 O ATOM 1207 CB LYS A 73 -6.410 4.389 17.956 1.00 0.00 C ATOM 1208 CG LYS A 73 -5.050 5.054 18.081 1.00 0.00 C ATOM 1209 CD LYS A 73 -4.439 5.337 16.718 1.00 0.00 C ATOM 1210 CE LYS A 73 -3.601 6.605 16.732 1.00 0.00 C ATOM 1211 NZ LYS A 73 -2.142 6.308 16.683 1.00 0.00 N ATOM 0 H LYS A 73 -9.030 3.327 19.251 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.363 3.913 20.051 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.291 3.429 17.454 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.048 5.003 17.321 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.150 5.987 18.636 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.381 4.412 18.654 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.819 4.494 16.415 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.232 5.432 15.976 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.873 7.229 15.881 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.825 7.178 17.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.606 7.199 16.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.877 5.734 17.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.924 5.784 15.812 1.00 0.00 H new ATOM 1225 N PRO A 74 -7.785 5.768 21.037 1.00 0.00 N ATOM 1226 CA PRO A 74 -8.433 6.972 21.572 1.00 0.00 C ATOM 1227 C PRO A 74 -8.049 8.232 20.803 1.00 0.00 C ATOM 1228 O PRO A 74 -8.788 9.216 20.797 1.00 0.00 O ATOM 1229 CB PRO A 74 -7.913 7.045 23.009 1.00 0.00 C ATOM 1230 CG PRO A 74 -7.585 5.636 23.364 1.00 0.00 C ATOM 1231 CD PRO A 74 -7.111 4.988 22.094 1.00 0.00 C ATOM 0 HA PRO A 74 -9.519 6.915 21.498 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.034 7.686 23.080 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.665 7.458 23.682 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.814 5.597 24.133 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.459 5.121 23.762 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.026 5.037 21.999 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -7.387 3.934 22.053 1.00 0.00 H new ATOM 1239 N ASN A 75 -6.888 8.196 20.155 1.00 0.00 N ATOM 1240 CA ASN A 75 -6.409 9.338 19.384 1.00 0.00 C ATOM 1241 C ASN A 75 -7.281 9.572 18.154 1.00 0.00 C ATOM 1242 O ASN A 75 -7.922 10.616 18.026 1.00 0.00 O ATOM 1243 CB ASN A 75 -4.956 9.118 18.959 1.00 0.00 C ATOM 1244 CG ASN A 75 -4.123 10.379 19.070 1.00 0.00 C ATOM 1245 OD1 ASN A 75 -4.220 11.117 20.050 1.00 0.00 O ATOM 1246 ND2 ASN A 75 -3.298 10.634 18.061 1.00 0.00 N ATOM 0 H ASN A 75 -6.263 7.390 20.149 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.466 10.222 20.019 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.513 8.338 19.579 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -4.932 8.760 17.930 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.713 11.469 18.079 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.250 9.995 17.268 1.00 0.00 H new ATOM 1253 N THR A 76 -7.299 8.596 17.252 1.00 0.00 N ATOM 1254 CA THR A 76 -8.092 8.698 16.032 1.00 0.00 C ATOM 1255 C THR A 76 -9.574 8.497 16.324 1.00 0.00 C ATOM 1256 O THR A 76 -10.432 9.103 15.682 1.00 0.00 O ATOM 1257 CB THR A 76 -7.618 7.667 15.006 1.00 0.00 C ATOM 1258 OG1 THR A 76 -7.203 6.475 15.649 1.00 0.00 O ATOM 1259 CG2 THR A 76 -6.466 8.155 14.155 1.00 0.00 C ATOM 0 H THR A 76 -6.774 7.726 17.343 1.00 0.00 H new ATOM 0 HA THR A 76 -7.956 9.699 15.623 1.00 0.00 H new ATOM 0 HB THR A 76 -8.476 7.488 14.358 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.211 5.736 15.005 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.179 7.376 13.449 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.771 9.047 13.607 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.617 8.395 14.795 1.00 0.00 H new ATOM 1267 N LYS A 77 -9.869 7.640 17.296 1.00 0.00 N ATOM 1268 CA LYS A 77 -11.250 7.358 17.674 1.00 0.00 C ATOM 1269 C LYS A 77 -12.015 6.729 16.514 1.00 0.00 C ATOM 1270 O LYS A 77 -11.481 6.581 15.414 1.00 0.00 O ATOM 1271 CB LYS A 77 -11.952 8.640 18.128 1.00 0.00 C ATOM 1272 CG LYS A 77 -11.858 8.888 19.624 1.00 0.00 C ATOM 1273 CD LYS A 77 -12.500 7.761 20.417 1.00 0.00 C ATOM 1274 CE LYS A 77 -12.711 8.152 21.871 1.00 0.00 C ATOM 1275 NZ LYS A 77 -11.456 8.038 22.664 1.00 0.00 N ATOM 0 H LYS A 77 -9.171 7.129 17.836 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.234 6.649 18.502 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.518 9.489 17.600 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.003 8.590 17.842 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.812 8.987 19.912 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.347 9.831 19.869 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.457 7.498 19.967 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.869 6.874 20.366 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.081 9.176 21.922 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.478 7.514 22.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.601 8.455 23.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.199 7.035 22.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.690 8.544 22.176 1.00 0.00 H new ATOM 1289 N ASP A 78 -13.266 6.362 16.766 1.00 0.00 N ATOM 1290 CA ASP A 78 -14.104 5.750 15.742 1.00 0.00 C ATOM 1291 C ASP A 78 -15.576 6.074 15.977 1.00 0.00 C ATOM 1292 O ASP A 78 -16.185 5.587 16.930 1.00 0.00 O ATOM 1293 CB ASP A 78 -13.901 4.233 15.727 1.00 0.00 C ATOM 1294 CG ASP A 78 -13.941 3.659 14.324 1.00 0.00 C ATOM 1295 OD1 ASP A 78 -13.124 4.088 13.483 1.00 0.00 O ATOM 1296 OD2 ASP A 78 -14.790 2.779 14.068 1.00 0.00 O ATOM 0 H ASP A 78 -13.722 6.478 17.671 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.810 6.160 14.776 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.943 3.993 16.188 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.674 3.760 16.333 1.00 0.00 H new ATOM 1301 N HIS A 79 -16.141 6.901 15.105 1.00 0.00 N ATOM 1302 CA HIS A 79 -17.543 7.292 15.218 1.00 0.00 C ATOM 1303 C HIS A 79 -18.143 7.570 13.844 1.00 0.00 C ATOM 1304 O HIS A 79 -19.222 7.078 13.516 1.00 0.00 O ATOM 1305 CB HIS A 79 -17.678 8.529 16.107 1.00 0.00 C ATOM 1306 CG HIS A 79 -16.840 9.685 15.655 1.00 0.00 C ATOM 1307 ND1 HIS A 79 -17.351 10.758 14.957 1.00 0.00 N ATOM 1308 CD2 HIS A 79 -15.517 9.934 15.809 1.00 0.00 C ATOM 1309 CE1 HIS A 79 -16.379 11.615 14.698 1.00 0.00 C ATOM 1310 NE2 HIS A 79 -15.258 11.139 15.205 1.00 0.00 N ATOM 0 H HIS A 79 -15.651 7.314 14.312 1.00 0.00 H new ATOM 0 HA HIS A 79 -18.090 6.465 15.672 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -18.723 8.836 16.132 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -17.399 8.265 17.127 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -14.800 9.302 16.313 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -16.484 12.547 14.162 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.346 11.593 15.156 1.00 0.00 H new ATOM 1319 N GLY A 80 -17.436 8.362 13.045 1.00 0.00 N ATOM 1320 CA GLY A 80 -17.916 8.693 11.715 1.00 0.00 C ATOM 1321 C GLY A 80 -16.809 9.194 10.807 1.00 0.00 C ATOM 1322 O GLY A 80 -16.185 10.216 11.087 1.00 0.00 O ATOM 0 H GLY A 80 -16.540 8.781 13.294 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.377 7.812 11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -18.692 9.455 11.791 1.00 0.00 H new ATOM 1326 N TYR A 81 -16.568 8.472 9.718 1.00 0.00 N ATOM 1327 CA TYR A 81 -15.530 8.849 8.766 1.00 0.00 C ATOM 1328 C TYR A 81 -16.126 9.611 7.586 1.00 0.00 C ATOM 1329 O TYR A 81 -17.210 9.282 7.105 1.00 0.00 O ATOM 1330 CB TYR A 81 -14.790 7.606 8.267 1.00 0.00 C ATOM 1331 CG TYR A 81 -13.495 7.338 9.000 1.00 0.00 C ATOM 1332 CD1 TYR A 81 -13.495 6.734 10.250 1.00 0.00 C ATOM 1333 CD2 TYR A 81 -12.273 7.690 8.441 1.00 0.00 C ATOM 1334 CE1 TYR A 81 -12.313 6.487 10.924 1.00 0.00 C ATOM 1335 CE2 TYR A 81 -11.087 7.446 9.108 1.00 0.00 C ATOM 1336 CZ TYR A 81 -11.113 6.845 10.348 1.00 0.00 C ATOM 1337 OH TYR A 81 -9.934 6.601 11.015 1.00 0.00 O ATOM 0 H TYR A 81 -17.077 7.623 9.473 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.822 9.502 9.276 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -15.442 6.739 8.370 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.579 7.721 7.204 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.434 6.452 10.704 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.249 8.162 7.470 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.330 6.016 11.896 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.145 7.725 8.660 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.180 6.912 10.472 1.00 0.00 H new ATOM 1347 N THR A 82 -15.409 10.630 7.124 1.00 0.00 N ATOM 1348 CA THR A 82 -15.866 11.439 6.000 1.00 0.00 C ATOM 1349 C THR A 82 -14.686 11.925 5.165 1.00 0.00 C ATOM 1350 O THR A 82 -14.732 13.005 4.577 1.00 0.00 O ATOM 1351 CB THR A 82 -16.677 12.634 6.501 1.00 0.00 C ATOM 1352 OG1 THR A 82 -17.447 12.279 7.635 1.00 0.00 O ATOM 1353 CG2 THR A 82 -17.622 13.194 5.461 1.00 0.00 C ATOM 0 H THR A 82 -14.509 10.915 7.511 1.00 0.00 H new ATOM 0 HA THR A 82 -16.502 10.816 5.371 1.00 0.00 H new ATOM 0 HB THR A 82 -15.941 13.398 6.748 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.957 13.058 7.941 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.166 14.039 5.882 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.053 13.525 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.329 12.422 5.158 1.00 0.00 H new ATOM 1361 N THR A 83 -13.629 11.121 5.117 1.00 0.00 N ATOM 1362 CA THR A 83 -12.436 11.469 4.354 1.00 0.00 C ATOM 1363 C THR A 83 -11.762 10.219 3.797 1.00 0.00 C ATOM 1364 O THR A 83 -12.270 9.109 3.946 1.00 0.00 O ATOM 1365 CB THR A 83 -11.454 12.245 5.232 1.00 0.00 C ATOM 1366 OG1 THR A 83 -12.126 12.861 6.315 1.00 0.00 O ATOM 1367 CG2 THR A 83 -10.707 13.328 4.481 1.00 0.00 C ATOM 0 H THR A 83 -13.574 10.223 5.598 1.00 0.00 H new ATOM 0 HA THR A 83 -12.740 12.098 3.517 1.00 0.00 H new ATOM 0 HB THR A 83 -10.735 11.505 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.480 13.351 6.865 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.027 13.840 5.162 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.137 12.879 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.419 14.045 4.072 1.00 0.00 H new ATOM 1375 N LEU A 84 -10.613 10.410 3.155 1.00 0.00 N ATOM 1376 CA LEU A 84 -9.869 9.297 2.575 1.00 0.00 C ATOM 1377 C LEU A 84 -10.698 8.578 1.515 1.00 0.00 C ATOM 1378 O LEU A 84 -10.524 7.382 1.285 1.00 0.00 O ATOM 1379 CB LEU A 84 -9.451 8.312 3.669 1.00 0.00 C ATOM 1380 CG LEU A 84 -8.588 7.139 3.192 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -7.237 7.147 3.890 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -9.304 5.817 3.428 1.00 0.00 C ATOM 0 H LEU A 84 -10.178 11.323 3.024 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.976 9.700 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.903 8.857 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.349 7.914 4.140 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.420 7.252 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.640 6.306 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.718 8.079 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.383 7.061 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.675 4.996 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.505 5.697 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.245 5.810 2.878 1.00 0.00 H new ATOM 1394 N ALA A 85 -11.598 9.313 0.872 1.00 0.00 N ATOM 1395 CA ALA A 85 -12.450 8.739 -0.163 1.00 0.00 C ATOM 1396 C ALA A 85 -12.371 9.546 -1.455 1.00 0.00 C ATOM 1397 O ALA A 85 -13.333 9.608 -2.219 1.00 0.00 O ATOM 1398 CB ALA A 85 -13.889 8.648 0.325 1.00 0.00 C ATOM 0 H ALA A 85 -11.757 10.305 1.048 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.089 7.733 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.512 8.218 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.933 8.016 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.253 9.645 0.572 1.00 0.00 H new ATOM 1404 N THR A 86 -11.215 10.155 -1.696 1.00 0.00 N ATOM 1405 CA THR A 86 -11.006 10.948 -2.901 1.00 0.00 C ATOM 1406 C THR A 86 -9.995 10.269 -3.816 1.00 0.00 C ATOM 1407 O THR A 86 -10.150 10.261 -5.038 1.00 0.00 O ATOM 1408 CB THR A 86 -10.523 12.353 -2.538 1.00 0.00 C ATOM 1409 OG1 THR A 86 -11.315 12.903 -1.501 1.00 0.00 O ATOM 1410 CG2 THR A 86 -10.559 13.319 -3.703 1.00 0.00 C ATOM 0 H THR A 86 -10.409 10.114 -1.073 1.00 0.00 H new ATOM 0 HA THR A 86 -11.957 11.029 -3.428 1.00 0.00 H new ATOM 0 HB THR A 86 -9.487 12.229 -2.222 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.989 13.801 -1.282 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.204 14.296 -3.376 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.918 12.949 -4.503 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.581 13.409 -4.070 1.00 0.00 H new ATOM 1418 N SER A 87 -8.963 9.693 -3.211 1.00 0.00 N ATOM 1419 CA SER A 87 -7.922 8.998 -3.959 1.00 0.00 C ATOM 1420 C SER A 87 -7.171 8.026 -3.056 1.00 0.00 C ATOM 1421 O SER A 87 -6.388 8.438 -2.200 1.00 0.00 O ATOM 1422 CB SER A 87 -6.945 9.997 -4.577 1.00 0.00 C ATOM 1423 OG SER A 87 -7.573 11.246 -4.814 1.00 0.00 O ATOM 0 H SER A 87 -8.824 9.694 -2.200 1.00 0.00 H new ATOM 0 HA SER A 87 -8.400 8.434 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.093 10.136 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.557 9.598 -5.514 1.00 0.00 H new ATOM 0 HG SER A 87 -6.926 11.868 -5.208 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.414 6.736 -3.251 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.761 5.707 -2.452 1.00 0.00 C ATOM 1431 C VAL A 88 -5.793 4.886 -3.296 1.00 0.00 C ATOM 1432 O VAL A 88 -6.192 4.243 -4.265 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.790 4.759 -1.804 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.108 3.804 -0.835 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.882 5.552 -1.104 1.00 0.00 C ATOM 0 H VAL A 88 -8.059 6.377 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.208 6.222 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.253 4.166 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.853 3.144 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.369 3.208 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.613 4.375 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.598 4.865 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.438 6.175 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.393 6.185 -1.829 1.00 0.00 H new ATOM 1445 N THR A 89 -4.520 4.909 -2.916 1.00 0.00 N ATOM 1446 CA THR A 89 -3.498 4.158 -3.635 1.00 0.00 C ATOM 1447 C THR A 89 -3.344 2.767 -3.035 1.00 0.00 C ATOM 1448 O THR A 89 -3.010 2.624 -1.860 1.00 0.00 O ATOM 1449 CB THR A 89 -2.162 4.901 -3.591 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.760 5.133 -2.253 1.00 0.00 O ATOM 1451 CG2 THR A 89 -2.196 6.238 -4.299 1.00 0.00 C ATOM 0 H THR A 89 -4.172 5.438 -2.116 1.00 0.00 H new ATOM 0 HA THR A 89 -3.809 4.059 -4.675 1.00 0.00 H new ATOM 0 HB THR A 89 -1.455 4.253 -4.109 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.903 5.608 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.217 6.711 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.453 6.088 -5.348 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.943 6.879 -3.830 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.596 1.743 -3.842 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.493 0.366 -3.375 1.00 0.00 C ATOM 1461 C LEU A 90 -2.143 -0.243 -3.734 1.00 0.00 C ATOM 1462 O LEU A 90 -1.577 0.047 -4.789 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.618 -0.481 -3.972 1.00 0.00 C ATOM 1464 CG LEU A 90 -6.018 0.131 -3.864 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.444 0.722 -5.198 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -7.028 -0.908 -3.399 1.00 0.00 C ATOM 0 H LEU A 90 -3.872 1.840 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.584 0.376 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.397 -0.661 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.623 -1.452 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.983 0.930 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.441 1.153 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.739 1.500 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.458 -0.062 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.015 -0.451 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.059 -1.731 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.735 -1.288 -2.420 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.636 -1.092 -2.846 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.355 -1.753 -3.056 1.00 0.00 C ATOM 1480 C LEU A 91 -0.441 -3.226 -2.657 1.00 0.00 C ATOM 1481 O LEU A 91 -1.235 -3.590 -1.790 1.00 0.00 O ATOM 1482 CB LEU A 91 0.729 -1.054 -2.242 1.00 0.00 C ATOM 1483 CG LEU A 91 1.463 0.075 -2.969 1.00 0.00 C ATOM 1484 CD1 LEU A 91 0.858 1.423 -2.609 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.947 0.049 -2.637 1.00 0.00 C ATOM 0 H LEU A 91 -2.096 -1.339 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.101 -1.695 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.277 -0.648 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.461 -1.798 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 91 1.350 -0.077 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.393 2.214 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.192 1.440 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.940 1.583 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.452 0.859 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.082 0.175 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.372 -0.906 -2.947 1.00 0.00 H new ATOM 1497 N LYS A 92 0.371 -4.071 -3.289 1.00 0.00 N ATOM 1498 CA LYS A 92 0.358 -5.498 -2.976 1.00 0.00 C ATOM 1499 C LYS A 92 0.933 -5.767 -1.588 1.00 0.00 C ATOM 1500 O LYS A 92 2.084 -5.430 -1.293 1.00 0.00 O ATOM 1501 CB LYS A 92 1.127 -6.286 -4.042 1.00 0.00 C ATOM 1502 CG LYS A 92 0.221 -7.072 -4.978 1.00 0.00 C ATOM 1503 CD LYS A 92 0.413 -6.662 -6.428 1.00 0.00 C ATOM 1504 CE LYS A 92 0.231 -7.842 -7.369 1.00 0.00 C ATOM 1505 NZ LYS A 92 1.236 -7.836 -8.468 1.00 0.00 N ATOM 0 H LYS A 92 1.038 -3.798 -4.011 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.679 -5.833 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.733 -5.595 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.815 -6.974 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.426 -8.137 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.819 -6.917 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.300 -5.878 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.410 -6.241 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.314 -8.772 -6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.772 -7.816 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.969 -8.539 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.269 -6.892 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.173 -8.073 -8.083 1.00 0.00 H new ATOM 1519 N ALA A 93 0.113 -6.388 -0.741 1.00 0.00 N ATOM 1520 CA ALA A 93 0.505 -6.714 0.626 1.00 0.00 C ATOM 1521 C ALA A 93 1.842 -7.439 0.670 1.00 0.00 C ATOM 1522 O ALA A 93 2.680 -7.156 1.521 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.573 -7.555 1.294 1.00 0.00 C ATOM 0 H ALA A 93 -0.835 -6.677 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 93 0.619 -5.777 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.270 -7.792 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.509 -6.997 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.713 -8.479 0.733 1.00 0.00 H new ATOM 1529 N SER A 94 2.035 -8.378 -0.246 1.00 0.00 N ATOM 1530 CA SER A 94 3.274 -9.142 -0.301 1.00 0.00 C ATOM 1531 C SER A 94 4.480 -8.220 -0.444 1.00 0.00 C ATOM 1532 O SER A 94 5.523 -8.444 0.175 1.00 0.00 O ATOM 1533 CB SER A 94 3.234 -10.134 -1.464 1.00 0.00 C ATOM 1534 OG SER A 94 2.730 -11.390 -1.047 1.00 0.00 O ATOM 0 H SER A 94 1.351 -8.629 -0.960 1.00 0.00 H new ATOM 0 HA SER A 94 3.372 -9.692 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.610 -9.736 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.236 -10.259 -1.874 1.00 0.00 H new ATOM 0 HG SER A 94 2.713 -12.005 -1.810 1.00 0.00 H new ATOM 1540 N GLU A 95 4.336 -7.181 -1.262 1.00 0.00 N ATOM 1541 CA GLU A 95 5.422 -6.233 -1.479 1.00 0.00 C ATOM 1542 C GLU A 95 5.695 -5.421 -0.223 1.00 0.00 C ATOM 1543 O GLU A 95 6.840 -5.300 0.214 1.00 0.00 O ATOM 1544 CB GLU A 95 5.091 -5.302 -2.643 1.00 0.00 C ATOM 1545 CG GLU A 95 5.230 -5.964 -4.005 1.00 0.00 C ATOM 1546 CD GLU A 95 4.165 -5.507 -4.978 1.00 0.00 C ATOM 1547 OE1 GLU A 95 3.656 -4.379 -4.810 1.00 0.00 O ATOM 1548 OE2 GLU A 95 3.841 -6.274 -5.908 1.00 0.00 O ATOM 0 H GLU A 95 3.483 -6.976 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 95 6.320 -6.800 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.071 -4.937 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.747 -4.433 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.214 -5.740 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.172 -7.046 -3.888 1.00 0.00 H new ATOM 1555 N VAL A 96 4.637 -4.869 0.358 1.00 0.00 N ATOM 1556 CA VAL A 96 4.770 -4.072 1.568 1.00 0.00 C ATOM 1557 C VAL A 96 5.347 -4.904 2.702 1.00 0.00 C ATOM 1558 O VAL A 96 6.313 -4.506 3.351 1.00 0.00 O ATOM 1559 CB VAL A 96 3.418 -3.481 2.012 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.624 -2.422 3.084 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.668 -2.903 0.820 1.00 0.00 C ATOM 0 H VAL A 96 3.682 -4.959 0.012 1.00 0.00 H new ATOM 0 HA VAL A 96 5.449 -3.252 1.335 1.00 0.00 H new ATOM 0 HB VAL A 96 2.815 -4.284 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.658 -2.016 3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.115 -2.870 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.247 -1.620 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.716 -2.491 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.265 -2.114 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.486 -3.690 0.088 1.00 0.00 H new ATOM 1571 N GLU A 97 4.756 -6.070 2.925 1.00 0.00 N ATOM 1572 CA GLU A 97 5.210 -6.970 3.977 1.00 0.00 C ATOM 1573 C GLU A 97 6.693 -7.279 3.816 1.00 0.00 C ATOM 1574 O GLU A 97 7.438 -7.306 4.795 1.00 0.00 O ATOM 1575 CB GLU A 97 4.397 -8.268 3.958 1.00 0.00 C ATOM 1576 CG GLU A 97 3.533 -8.461 5.194 1.00 0.00 C ATOM 1577 CD GLU A 97 3.401 -9.919 5.592 1.00 0.00 C ATOM 1578 OE1 GLU A 97 3.177 -10.760 4.697 1.00 0.00 O ATOM 1579 OE2 GLU A 97 3.524 -10.219 6.798 1.00 0.00 O ATOM 0 H GLU A 97 3.959 -6.416 2.390 1.00 0.00 H new ATOM 0 HA GLU A 97 5.060 -6.476 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.759 -8.275 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.079 -9.113 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.962 -7.899 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.542 -8.048 5.008 1.00 0.00 H new ATOM 1586 N GLU A 98 7.120 -7.512 2.579 1.00 0.00 N ATOM 1587 CA GLU A 98 8.514 -7.816 2.304 1.00 0.00 C ATOM 1588 C GLU A 98 9.422 -6.661 2.729 1.00 0.00 C ATOM 1589 O GLU A 98 10.419 -6.859 3.433 1.00 0.00 O ATOM 1590 CB GLU A 98 8.684 -8.085 0.810 1.00 0.00 C ATOM 1591 CG GLU A 98 9.279 -9.441 0.502 1.00 0.00 C ATOM 1592 CD GLU A 98 8.619 -10.115 -0.686 1.00 0.00 C ATOM 1593 OE1 GLU A 98 7.427 -10.475 -0.578 1.00 0.00 O ATOM 1594 OE2 GLU A 98 9.293 -10.282 -1.724 1.00 0.00 O ATOM 0 H GLU A 98 6.520 -7.495 1.755 1.00 0.00 H new ATOM 0 HA GLU A 98 8.799 -8.699 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.713 -8.005 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.321 -7.312 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.345 -9.329 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.183 -10.083 1.378 1.00 0.00 H new ATOM 1601 N ILE A 99 9.065 -5.448 2.322 1.00 0.00 N ATOM 1602 CA ILE A 99 9.851 -4.277 2.681 1.00 0.00 C ATOM 1603 C ILE A 99 9.854 -4.102 4.191 1.00 0.00 C ATOM 1604 O ILE A 99 10.874 -3.761 4.789 1.00 0.00 O ATOM 1605 CB ILE A 99 9.334 -2.989 2.006 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.028 -3.237 0.525 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.364 -1.877 2.147 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.837 -2.454 0.014 1.00 0.00 C ATOM 0 H ILE A 99 8.244 -5.252 1.749 1.00 0.00 H new ATOM 0 HA ILE A 99 10.866 -4.446 2.321 1.00 0.00 H new ATOM 0 HB ILE A 99 8.412 -2.687 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.905 -2.976 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.845 -4.301 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.990 -0.972 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.544 -1.680 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.296 -2.182 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.679 -2.679 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.949 -2.732 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.025 -1.387 0.133 1.00 0.00 H new ATOM 1620 N LEU A 100 8.704 -4.359 4.801 1.00 0.00 N ATOM 1621 CA LEU A 100 8.567 -4.255 6.248 1.00 0.00 C ATOM 1622 C LEU A 100 9.408 -5.327 6.933 1.00 0.00 C ATOM 1623 O LEU A 100 9.973 -5.102 8.003 1.00 0.00 O ATOM 1624 CB LEU A 100 7.102 -4.401 6.662 1.00 0.00 C ATOM 1625 CG LEU A 100 6.168 -3.292 6.172 1.00 0.00 C ATOM 1626 CD1 LEU A 100 4.841 -3.363 6.905 1.00 0.00 C ATOM 1627 CD2 LEU A 100 6.811 -1.924 6.353 1.00 0.00 C ATOM 0 H LEU A 100 7.852 -4.641 4.316 1.00 0.00 H new ATOM 0 HA LEU A 100 8.920 -3.271 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.731 -5.356 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.052 -4.441 7.750 1.00 0.00 H new ATOM 0 HG LEU A 100 5.985 -3.439 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.185 -2.569 6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.374 -4.330 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.009 -3.241 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.129 -1.152 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.027 -1.760 7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.738 -1.879 5.782 1.00 0.00 H new ATOM 1639 N ASP A 101 9.496 -6.490 6.294 1.00 0.00 N ATOM 1640 CA ASP A 101 10.281 -7.600 6.822 1.00 0.00 C ATOM 1641 C ASP A 101 11.766 -7.363 6.559 1.00 0.00 C ATOM 1642 O ASP A 101 12.627 -8.025 7.138 1.00 0.00 O ATOM 1643 CB ASP A 101 9.839 -8.918 6.182 1.00 0.00 C ATOM 1644 CG ASP A 101 8.772 -9.626 6.995 1.00 0.00 C ATOM 1645 OD1 ASP A 101 7.734 -10.004 6.411 1.00 0.00 O ATOM 1646 OD2 ASP A 101 8.974 -9.804 8.214 1.00 0.00 O ATOM 0 H ASP A 101 9.032 -6.688 5.408 1.00 0.00 H new ATOM 0 HA ASP A 101 10.116 -7.662 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.458 -8.722 5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.703 -9.573 6.072 1.00 0.00 H new ATOM 1651 N GLY A 102 12.048 -6.407 5.678 1.00 0.00 N ATOM 1652 CA GLY A 102 13.418 -6.077 5.337 1.00 0.00 C ATOM 1653 C GLY A 102 13.845 -6.671 4.013 1.00 0.00 C ATOM 1654 O GLY A 102 14.990 -6.507 3.592 1.00 0.00 O ATOM 0 H GLY A 102 11.344 -5.852 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.528 -4.993 5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.081 -6.437 6.124 1.00 0.00 H new ATOM 1658 N ASN A 103 12.911 -7.327 3.333 1.00 0.00 N ATOM 1659 CA ASN A 103 13.189 -7.900 2.027 1.00 0.00 C ATOM 1660 C ASN A 103 12.557 -7.024 0.956 1.00 0.00 C ATOM 1661 O ASN A 103 11.335 -6.956 0.849 1.00 0.00 O ATOM 1662 CB ASN A 103 12.642 -9.325 1.936 1.00 0.00 C ATOM 1663 CG ASN A 103 13.192 -10.081 0.742 1.00 0.00 C ATOM 1664 OD1 ASN A 103 12.747 -9.708 -0.452 1.00 0.00 O flip ATOM 1665 ND2 ASN A 103 14.009 -10.990 0.892 1.00 0.00 N flip ATOM 0 H ASN A 103 11.958 -7.473 3.666 1.00 0.00 H new ATOM 0 HA ASN A 103 14.268 -7.943 1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.889 -9.865 2.850 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.555 -9.290 1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.324 -11.244 1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.371 -11.489 0.080 1.00 0.00 H new ATOM 1672 N ASP A 104 13.377 -6.342 0.173 1.00 0.00 N ATOM 1673 CA ASP A 104 12.852 -5.464 -0.868 1.00 0.00 C ATOM 1674 C ASP A 104 13.914 -5.072 -1.892 1.00 0.00 C ATOM 1675 O ASP A 104 13.704 -4.153 -2.682 1.00 0.00 O ATOM 1676 CB ASP A 104 12.266 -4.205 -0.229 1.00 0.00 C ATOM 1677 CG ASP A 104 13.242 -3.521 0.708 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.432 -2.294 0.575 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.817 -4.213 1.574 1.00 0.00 O ATOM 0 H ASP A 104 14.395 -6.376 0.234 1.00 0.00 H new ATOM 0 HA ASP A 104 12.077 -6.016 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.970 -3.508 -1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.362 -4.468 0.321 1.00 0.00 H new ATOM 1684 N GLU A 105 15.045 -5.769 -1.885 1.00 0.00 N ATOM 1685 CA GLU A 105 16.128 -5.480 -2.819 1.00 0.00 C ATOM 1686 C GLU A 105 15.626 -5.498 -4.257 1.00 0.00 C ATOM 1687 O GLU A 105 16.030 -4.675 -5.079 1.00 0.00 O ATOM 1688 CB GLU A 105 17.262 -6.491 -2.649 1.00 0.00 C ATOM 1689 CG GLU A 105 16.796 -7.938 -2.678 1.00 0.00 C ATOM 1690 CD GLU A 105 17.144 -8.638 -3.978 1.00 0.00 C ATOM 1691 OE1 GLU A 105 16.542 -8.294 -5.017 1.00 0.00 O ATOM 1692 OE2 GLU A 105 18.020 -9.529 -3.956 1.00 0.00 O ATOM 0 H GLU A 105 15.236 -6.538 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 105 16.506 -4.482 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.996 -6.338 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.769 -6.300 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 105 17.249 -8.478 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.717 -7.971 -2.530 1.00 0.00 H new ATOM 1699 N LYS A 106 14.739 -6.439 -4.553 1.00 0.00 N ATOM 1700 CA LYS A 106 14.176 -6.562 -5.890 1.00 0.00 C ATOM 1701 C LYS A 106 13.321 -5.346 -6.227 1.00 0.00 C ATOM 1702 O LYS A 106 13.204 -4.959 -7.390 1.00 0.00 O ATOM 1703 CB LYS A 106 13.337 -7.837 -6.000 1.00 0.00 C ATOM 1704 CG LYS A 106 12.112 -7.838 -5.099 1.00 0.00 C ATOM 1705 CD LYS A 106 11.281 -9.099 -5.288 1.00 0.00 C ATOM 1706 CE LYS A 106 11.398 -10.029 -4.090 1.00 0.00 C ATOM 1707 NZ LYS A 106 12.389 -11.116 -4.326 1.00 0.00 N ATOM 0 H LYS A 106 14.394 -7.128 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 106 14.999 -6.618 -6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.017 -7.964 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.961 -8.695 -5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.425 -7.760 -4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.500 -6.962 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.236 -8.828 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.608 -9.620 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.692 -9.454 -3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.424 -10.467 -3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.439 -11.728 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.096 -11.680 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.325 -10.699 -4.507 1.00 0.00 H new ATOM 1721 N TYR A 107 12.720 -4.748 -5.202 1.00 0.00 N ATOM 1722 CA TYR A 107 11.875 -3.583 -5.385 1.00 0.00 C ATOM 1723 C TYR A 107 12.707 -2.310 -5.525 1.00 0.00 C ATOM 1724 O TYR A 107 12.428 -1.466 -6.376 1.00 0.00 O ATOM 1725 CB TYR A 107 10.927 -3.439 -4.201 1.00 0.00 C ATOM 1726 CG TYR A 107 10.105 -4.670 -3.898 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.348 -5.288 -4.883 1.00 0.00 C ATOM 1728 CD2 TYR A 107 10.076 -5.203 -2.615 1.00 0.00 C ATOM 1729 CE1 TYR A 107 8.583 -6.403 -4.600 1.00 0.00 C ATOM 1730 CE2 TYR A 107 9.316 -6.319 -2.324 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.570 -6.914 -3.318 1.00 0.00 C ATOM 1732 OH TYR A 107 7.810 -8.026 -3.032 1.00 0.00 O ATOM 0 H TYR A 107 12.806 -5.057 -4.234 1.00 0.00 H new ATOM 0 HA TYR A 107 11.304 -3.724 -6.303 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.509 -3.180 -3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.251 -2.606 -4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.357 -4.891 -5.887 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.657 -4.737 -1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.998 -6.872 -5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.307 -6.723 -1.323 1.00 0.00 H new ATOM 0 HH TYR A 107 8.286 -8.831 -3.324 1.00 0.00 H new ATOM 1742 N LYS A 108 13.721 -2.173 -4.674 1.00 0.00 N ATOM 1743 CA LYS A 108 14.584 -0.989 -4.698 1.00 0.00 C ATOM 1744 C LYS A 108 15.438 -0.948 -5.967 1.00 0.00 C ATOM 1745 O LYS A 108 16.079 0.062 -6.257 1.00 0.00 O ATOM 1746 CB LYS A 108 15.504 -0.937 -3.465 1.00 0.00 C ATOM 1747 CG LYS A 108 15.113 -1.877 -2.336 1.00 0.00 C ATOM 1748 CD LYS A 108 15.845 -1.539 -1.047 1.00 0.00 C ATOM 1749 CE LYS A 108 15.581 -0.107 -0.613 1.00 0.00 C ATOM 1750 NZ LYS A 108 16.803 0.738 -0.719 1.00 0.00 N ATOM 0 H LYS A 108 13.966 -2.861 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 108 13.925 -0.121 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.521 -1.172 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.516 0.083 -3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 108 14.037 -1.819 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.337 -2.904 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.530 -2.223 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.916 -1.686 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.790 0.319 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.222 -0.100 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.582 1.707 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.550 0.346 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.131 0.752 -1.706 1.00 0.00 H new ATOM 1764 N ALA A 109 15.454 -2.050 -6.713 1.00 0.00 N ATOM 1765 CA ALA A 109 16.240 -2.132 -7.939 1.00 0.00 C ATOM 1766 C ALA A 109 15.411 -1.783 -9.171 1.00 0.00 C ATOM 1767 O ALA A 109 15.806 -2.083 -10.297 1.00 0.00 O ATOM 1768 CB ALA A 109 16.826 -3.525 -8.085 1.00 0.00 C ATOM 0 H ALA A 109 14.932 -2.897 -6.489 1.00 0.00 H new ATOM 0 HA ALA A 109 17.045 -1.401 -7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.412 -3.579 -9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.468 -3.741 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.019 -4.257 -8.126 1.00 0.00 H new ATOM 1774 N VAL A 110 14.262 -1.150 -8.957 1.00 0.00 N ATOM 1775 CA VAL A 110 13.390 -0.768 -10.057 1.00 0.00 C ATOM 1776 C VAL A 110 12.923 -1.991 -10.851 1.00 0.00 C ATOM 1777 O VAL A 110 12.395 -1.857 -11.955 1.00 0.00 O ATOM 1778 CB VAL A 110 14.118 0.204 -11.000 1.00 0.00 C ATOM 1779 CG1 VAL A 110 13.184 0.712 -12.091 1.00 0.00 C ATOM 1780 CG2 VAL A 110 14.716 1.361 -10.214 1.00 0.00 C ATOM 0 H VAL A 110 13.915 -0.892 -8.033 1.00 0.00 H new ATOM 0 HA VAL A 110 12.515 -0.279 -9.629 1.00 0.00 H new ATOM 0 HB VAL A 110 14.931 -0.337 -11.485 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.725 1.397 -12.743 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.815 -0.131 -12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 110 12.342 1.233 -11.636 1.00 0.00 H new ATOM 0 HG21 VAL A 110 15.227 2.039 -10.897 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.921 1.898 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 110 15.428 0.976 -9.484 1.00 0.00 H new ATOM 1790 N SER A 111 13.119 -3.183 -10.283 1.00 0.00 N ATOM 1791 CA SER A 111 12.720 -4.431 -10.934 1.00 0.00 C ATOM 1792 C SER A 111 13.383 -5.625 -10.254 1.00 0.00 C ATOM 1793 O SER A 111 14.358 -5.467 -9.518 1.00 0.00 O ATOM 1794 CB SER A 111 13.093 -4.413 -12.422 1.00 0.00 C ATOM 1795 OG SER A 111 11.985 -4.036 -13.221 1.00 0.00 O ATOM 0 H SER A 111 13.554 -3.309 -9.369 1.00 0.00 H new ATOM 0 HA SER A 111 11.638 -4.525 -10.844 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.916 -3.718 -12.585 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.444 -5.400 -12.724 1.00 0.00 H new ATOM 0 HG SER A 111 11.658 -3.158 -12.933 1.00 0.00 H new ATOM 1801 N ILE A 112 12.853 -6.817 -10.505 1.00 0.00 N ATOM 1802 CA ILE A 112 13.402 -8.033 -9.916 1.00 0.00 C ATOM 1803 C ILE A 112 14.633 -8.508 -10.682 1.00 0.00 C ATOM 1804 O ILE A 112 15.530 -9.128 -10.110 1.00 0.00 O ATOM 1805 CB ILE A 112 12.357 -9.167 -9.887 1.00 0.00 C ATOM 1806 CG1 ILE A 112 11.054 -8.676 -9.251 1.00 0.00 C ATOM 1807 CG2 ILE A 112 12.901 -10.371 -9.132 1.00 0.00 C ATOM 1808 CD1 ILE A 112 9.813 -9.127 -9.989 1.00 0.00 C ATOM 0 H ILE A 112 12.046 -6.967 -11.111 1.00 0.00 H new ATOM 0 HA ILE A 112 13.687 -7.788 -8.893 1.00 0.00 H new ATOM 0 HB ILE A 112 12.146 -9.471 -10.912 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.005 -9.033 -8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.067 -7.587 -9.211 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.152 -11.162 -9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.803 -10.733 -9.625 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.139 -10.082 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.928 -8.742 -9.482 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.839 -8.748 -11.011 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.776 -10.216 -10.007 1.00 0.00 H new ATOM 1820 N SER A 113 14.671 -8.215 -11.978 1.00 0.00 N ATOM 1821 CA SER A 113 15.793 -8.612 -12.820 1.00 0.00 C ATOM 1822 C SER A 113 15.812 -7.809 -14.117 1.00 0.00 C ATOM 1823 O SER A 113 14.733 -7.639 -14.722 1.00 0.00 O ATOM 1824 CB SER A 113 15.718 -10.107 -13.135 1.00 0.00 C ATOM 1825 OG SER A 113 15.848 -10.884 -11.957 1.00 0.00 O ATOM 1826 OXT SER A 113 16.906 -7.356 -14.516 1.00 0.00 O ATOM 0 H SER A 113 13.937 -7.704 -12.468 1.00 0.00 H new ATOM 0 HA SER A 113 16.714 -8.408 -12.273 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.768 -10.332 -13.620 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.506 -10.373 -13.839 1.00 0.00 H new ATOM 0 HG SER A 113 16.016 -10.294 -11.193 1.00 0.00 H new TER 1832 SER A 113