USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 862 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 113 THR OG1 : rot -103:sc= 0.0615 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0.0604 USER MOD Set 2.1: A 75 ASN : amide:sc= -0.0788 X(o=-0.079,f=0) USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0782 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 25:sc= 1.03 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 6 SER OG : rot 180:sc= -0.297 USER MOD Single : A 9 SER OG : rot 72:sc= 0.552 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.0425 (180deg=-0.259) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 60:sc= 0.531 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0609 USER MOD Single : A 63 GLN : amide:sc= -0.0869 X(o=-0.087,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= -1.62 (180deg=-2.75) USER MOD Single : A 73 HIS : no HD1:sc=-0.00649 K(o=-0.0065,f=-1.5) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0134) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -111:sc= -0.843 USER MOD Single : A 84 TYR OH : rot 150:sc= -1.71! USER MOD Single : A 88 LYS NZ :NH3+ 172:sc=-0.00755 (180deg=-0.106) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 170:sc= 0.512 USER MOD Single : A 93 MET CE :methyl -125:sc= -2.8 (180deg=-4.46!) USER MOD Single : A 97 THR OG1 : rot 130:sc= -1.49! USER MOD Single : A 98 TYR OH : rot 137:sc= 0.429 USER MOD Single : A 106 SER OG : rot -67:sc= 0.00539 USER MOD Single : A 108 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 114 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.41) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.090 -17.863 -40.460 1.00 0.00 N ATOM 2 CA GLY A 1 -11.017 -19.054 -39.635 1.00 0.00 C ATOM 3 C GLY A 1 -10.971 -18.732 -38.155 1.00 0.00 C ATOM 4 O GLY A 1 -10.778 -17.580 -37.769 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.993 -17.853 -40.977 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.027 -17.018 -39.857 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.302 -17.862 -41.139 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.880 -19.687 -39.839 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.130 -19.627 -39.907 1.00 0.00 H new ATOM 8 N SER A 2 -11.151 -19.754 -37.323 1.00 0.00 N ATOM 9 CA SER A 2 -11.135 -19.573 -35.876 1.00 0.00 C ATOM 10 C SER A 2 -10.942 -20.908 -35.164 1.00 0.00 C ATOM 11 O SER A 2 -10.873 -21.959 -35.801 1.00 0.00 O ATOM 12 CB SER A 2 -12.436 -18.916 -35.409 1.00 0.00 C ATOM 13 OG SER A 2 -12.225 -18.141 -34.241 1.00 0.00 O ATOM 0 H SER A 2 -11.309 -20.715 -37.626 1.00 0.00 H new ATOM 0 HA SER A 2 -10.297 -18.923 -35.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.833 -18.283 -36.203 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.184 -19.684 -35.210 1.00 0.00 H new ATOM 0 HG SER A 2 -13.071 -17.730 -33.964 1.00 0.00 H new ATOM 19 N SER A 3 -10.857 -20.858 -33.839 1.00 0.00 N ATOM 20 CA SER A 3 -10.668 -22.062 -33.039 1.00 0.00 C ATOM 21 C SER A 3 -11.058 -21.815 -31.585 1.00 0.00 C ATOM 22 O SER A 3 -11.387 -20.694 -31.200 1.00 0.00 O ATOM 23 CB SER A 3 -9.212 -22.528 -33.115 1.00 0.00 C ATOM 24 OG SER A 3 -8.972 -23.254 -34.308 1.00 0.00 O ATOM 0 H SER A 3 -10.916 -19.996 -33.296 1.00 0.00 H new ATOM 0 HA SER A 3 -11.314 -22.841 -33.444 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.548 -21.665 -33.071 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.981 -23.153 -32.252 1.00 0.00 H new ATOM 0 HG SER A 3 -9.619 -22.982 -34.992 1.00 0.00 H new ATOM 30 N GLY A 4 -11.020 -22.873 -30.780 1.00 0.00 N ATOM 31 CA GLY A 4 -11.372 -22.752 -29.378 1.00 0.00 C ATOM 32 C GLY A 4 -12.052 -23.996 -28.841 1.00 0.00 C ATOM 33 O GLY A 4 -12.755 -24.692 -29.572 1.00 0.00 O ATOM 0 H GLY A 4 -10.751 -23.812 -31.075 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.472 -22.554 -28.796 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.032 -21.895 -29.245 1.00 0.00 H new ATOM 37 N SER A 5 -11.840 -24.278 -27.559 1.00 0.00 N ATOM 38 CA SER A 5 -12.433 -25.450 -26.926 1.00 0.00 C ATOM 39 C SER A 5 -12.562 -25.247 -25.419 1.00 0.00 C ATOM 40 O SER A 5 -11.874 -24.411 -24.833 1.00 0.00 O ATOM 41 CB SER A 5 -11.589 -26.693 -27.214 1.00 0.00 C ATOM 42 OG SER A 5 -12.172 -27.849 -26.638 1.00 0.00 O ATOM 0 H SER A 5 -11.262 -23.711 -26.939 1.00 0.00 H new ATOM 0 HA SER A 5 -13.430 -25.592 -27.343 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.492 -26.829 -28.291 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.583 -26.553 -26.818 1.00 0.00 H new ATOM 0 HG SER A 5 -11.615 -28.630 -26.837 1.00 0.00 H new ATOM 48 N SER A 6 -13.449 -26.018 -24.798 1.00 0.00 N ATOM 49 CA SER A 6 -13.673 -25.920 -23.361 1.00 0.00 C ATOM 50 C SER A 6 -13.003 -27.079 -22.627 1.00 0.00 C ATOM 51 O SER A 6 -12.085 -26.878 -21.834 1.00 0.00 O ATOM 52 CB SER A 6 -15.172 -25.907 -23.056 1.00 0.00 C ATOM 53 OG SER A 6 -15.436 -25.255 -21.826 1.00 0.00 O ATOM 0 H SER A 6 -14.024 -26.717 -25.268 1.00 0.00 H new ATOM 0 HA SER A 6 -13.231 -24.987 -23.012 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.706 -25.402 -23.861 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.547 -26.930 -23.017 1.00 0.00 H new ATOM 0 HG SER A 6 -16.401 -25.258 -21.654 1.00 0.00 H new ATOM 59 N GLY A 7 -13.471 -28.293 -22.900 1.00 0.00 N ATOM 60 CA GLY A 7 -12.908 -29.467 -22.259 1.00 0.00 C ATOM 61 C GLY A 7 -12.898 -29.353 -20.748 1.00 0.00 C ATOM 62 O GLY A 7 -12.035 -28.688 -20.175 1.00 0.00 O ATOM 0 H GLY A 7 -14.230 -28.484 -23.554 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.482 -30.347 -22.550 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.889 -29.619 -22.616 1.00 0.00 H new ATOM 66 N ARG A 8 -13.860 -30.003 -20.101 1.00 0.00 N ATOM 67 CA ARG A 8 -13.960 -29.969 -18.647 1.00 0.00 C ATOM 68 C ARG A 8 -14.652 -31.222 -18.120 1.00 0.00 C ATOM 69 O ARG A 8 -15.408 -31.875 -18.839 1.00 0.00 O ATOM 70 CB ARG A 8 -14.725 -28.723 -18.195 1.00 0.00 C ATOM 71 CG ARG A 8 -13.977 -27.424 -18.448 1.00 0.00 C ATOM 72 CD ARG A 8 -14.339 -26.364 -17.420 1.00 0.00 C ATOM 73 NE ARG A 8 -13.777 -25.059 -17.759 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.363 -24.198 -18.583 1.00 0.00 C ATOM 75 NH1 ARG A 8 -15.523 -24.502 -19.149 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.790 -23.030 -18.842 1.00 0.00 N ATOM 0 H ARG A 8 -14.581 -30.559 -20.561 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.949 -29.934 -18.240 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.683 -28.687 -18.713 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.941 -28.806 -17.130 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.903 -27.609 -18.419 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.210 -27.057 -19.448 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.424 -26.284 -17.348 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.976 -26.671 -16.439 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.886 -24.795 -17.340 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.967 -25.399 -18.952 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.971 -23.839 -19.782 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.898 -22.792 -18.408 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.241 -22.370 -19.475 1.00 0.00 H new ATOM 90 N SER A 9 -14.387 -31.553 -16.860 1.00 0.00 N ATOM 91 CA SER A 9 -14.981 -32.731 -16.238 1.00 0.00 C ATOM 92 C SER A 9 -15.453 -32.418 -14.821 1.00 0.00 C ATOM 93 O SER A 9 -14.900 -31.561 -14.131 1.00 0.00 O ATOM 94 CB SER A 9 -13.974 -33.882 -16.210 1.00 0.00 C ATOM 95 OG SER A 9 -12.861 -33.566 -15.391 1.00 0.00 O ATOM 0 H SER A 9 -13.765 -31.022 -16.250 1.00 0.00 H new ATOM 0 HA SER A 9 -15.845 -33.028 -16.832 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.459 -34.785 -15.838 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.635 -34.097 -17.223 1.00 0.00 H new ATOM 0 HG SER A 9 -13.131 -33.588 -14.449 1.00 0.00 H new ATOM 101 N PRO A 10 -16.499 -33.129 -14.376 1.00 0.00 N ATOM 102 CA PRO A 10 -17.069 -32.946 -13.038 1.00 0.00 C ATOM 103 C PRO A 10 -16.137 -33.444 -11.938 1.00 0.00 C ATOM 104 O PRO A 10 -16.162 -34.621 -11.576 1.00 0.00 O ATOM 105 CB PRO A 10 -18.347 -33.787 -13.078 1.00 0.00 C ATOM 106 CG PRO A 10 -18.086 -34.823 -14.116 1.00 0.00 C ATOM 107 CD PRO A 10 -17.207 -34.167 -15.145 1.00 0.00 C ATOM 0 HA PRO A 10 -17.242 -31.894 -12.809 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.553 -34.241 -12.109 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -19.214 -33.178 -13.335 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -17.596 -35.695 -13.683 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -19.017 -35.171 -14.563 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.513 -34.878 -15.593 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -17.792 -33.736 -15.958 1.00 0.00 H new ATOM 115 N PHE A 11 -15.317 -32.542 -11.410 1.00 0.00 N ATOM 116 CA PHE A 11 -14.376 -32.891 -10.351 1.00 0.00 C ATOM 117 C PHE A 11 -13.659 -31.649 -9.831 1.00 0.00 C ATOM 118 O PHE A 11 -12.953 -30.968 -10.575 1.00 0.00 O ATOM 119 CB PHE A 11 -13.354 -33.908 -10.863 1.00 0.00 C ATOM 120 CG PHE A 11 -12.122 -33.277 -11.446 1.00 0.00 C ATOM 121 CD1 PHE A 11 -12.195 -32.528 -12.609 1.00 0.00 C ATOM 122 CD2 PHE A 11 -10.890 -33.435 -10.831 1.00 0.00 C ATOM 123 CE1 PHE A 11 -11.063 -31.946 -13.148 1.00 0.00 C ATOM 124 CE2 PHE A 11 -9.755 -32.855 -11.365 1.00 0.00 C ATOM 125 CZ PHE A 11 -9.841 -32.111 -12.526 1.00 0.00 C ATOM 0 H PHE A 11 -15.285 -31.564 -11.698 1.00 0.00 H new ATOM 0 HA PHE A 11 -14.939 -33.335 -9.530 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.063 -34.564 -10.042 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.825 -34.535 -11.620 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.148 -32.397 -13.100 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.816 -34.018 -9.925 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.134 -31.363 -14.054 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.801 -32.983 -10.875 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.955 -31.659 -12.946 1.00 0.00 H new ATOM 135 N LYS A 12 -13.845 -31.360 -8.547 1.00 0.00 N ATOM 136 CA LYS A 12 -13.216 -30.202 -7.924 1.00 0.00 C ATOM 137 C LYS A 12 -12.965 -30.451 -6.440 1.00 0.00 C ATOM 138 O LYS A 12 -13.904 -30.578 -5.655 1.00 0.00 O ATOM 139 CB LYS A 12 -14.094 -28.961 -8.103 1.00 0.00 C ATOM 140 CG LYS A 12 -13.790 -28.177 -9.367 1.00 0.00 C ATOM 141 CD LYS A 12 -12.728 -27.118 -9.125 1.00 0.00 C ATOM 142 CE LYS A 12 -13.309 -25.893 -8.436 1.00 0.00 C ATOM 143 NZ LYS A 12 -12.275 -24.849 -8.195 1.00 0.00 N ATOM 0 H LYS A 12 -14.427 -31.913 -7.918 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.256 -30.034 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.140 -29.266 -8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.965 -28.307 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.453 -28.860 -10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.702 -27.703 -9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.929 -27.536 -8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.282 -26.825 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.109 -25.477 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.755 -26.188 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.711 -24.031 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.524 -25.237 -7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.867 -24.549 -9.103 1.00 0.00 H new ATOM 157 N VAL A 13 -11.692 -30.518 -6.063 1.00 0.00 N ATOM 158 CA VAL A 13 -11.319 -30.749 -4.673 1.00 0.00 C ATOM 159 C VAL A 13 -11.144 -29.433 -3.924 1.00 0.00 C ATOM 160 O VAL A 13 -10.521 -28.497 -4.428 1.00 0.00 O ATOM 161 CB VAL A 13 -10.015 -31.563 -4.570 1.00 0.00 C ATOM 162 CG1 VAL A 13 -8.819 -30.705 -4.955 1.00 0.00 C ATOM 163 CG2 VAL A 13 -9.848 -32.127 -3.167 1.00 0.00 C ATOM 0 H VAL A 13 -10.902 -30.416 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.131 -31.317 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.072 -32.399 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.907 -31.296 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.937 -30.355 -5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.755 -29.848 -4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.922 -32.699 -3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.812 -31.309 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.691 -32.778 -2.934 1.00 0.00 H new ATOM 173 N LYS A 14 -11.696 -29.366 -2.718 1.00 0.00 N ATOM 174 CA LYS A 14 -11.600 -28.165 -1.897 1.00 0.00 C ATOM 175 C LYS A 14 -10.397 -28.239 -0.962 1.00 0.00 C ATOM 176 O LYS A 14 -10.335 -29.096 -0.080 1.00 0.00 O ATOM 177 CB LYS A 14 -12.882 -27.976 -1.082 1.00 0.00 C ATOM 178 CG LYS A 14 -13.072 -26.560 -0.568 1.00 0.00 C ATOM 179 CD LYS A 14 -13.685 -25.659 -1.628 1.00 0.00 C ATOM 180 CE LYS A 14 -14.519 -24.551 -1.003 1.00 0.00 C ATOM 181 NZ LYS A 14 -15.773 -25.077 -0.395 1.00 0.00 N ATOM 0 H LYS A 14 -12.215 -30.131 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.469 -27.311 -2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.738 -28.248 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.869 -28.662 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.713 -26.575 0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.110 -26.153 -0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.894 -25.221 -2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.309 -26.253 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.932 -24.041 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.767 -23.810 -1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.465 -24.306 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.166 -25.824 -1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.565 -25.469 0.546 1.00 0.00 H new ATOM 195 N VAL A 15 -9.443 -27.335 -1.161 1.00 0.00 N ATOM 196 CA VAL A 15 -8.243 -27.297 -0.334 1.00 0.00 C ATOM 197 C VAL A 15 -7.990 -25.892 0.203 1.00 0.00 C ATOM 198 O VAL A 15 -8.763 -24.969 -0.054 1.00 0.00 O ATOM 199 CB VAL A 15 -7.004 -27.765 -1.120 1.00 0.00 C ATOM 200 CG1 VAL A 15 -7.132 -29.234 -1.493 1.00 0.00 C ATOM 201 CG2 VAL A 15 -6.805 -26.906 -2.361 1.00 0.00 C ATOM 0 H VAL A 15 -9.478 -26.620 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.412 -27.977 0.501 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.127 -27.652 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.247 -29.547 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.223 -29.833 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.018 -29.376 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.925 -27.250 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.682 -26.985 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.665 -25.866 -2.065 1.00 0.00 H new ATOM 211 N LEU A 16 -6.902 -25.737 0.949 1.00 0.00 N ATOM 212 CA LEU A 16 -6.545 -24.444 1.522 1.00 0.00 C ATOM 213 C LEU A 16 -5.506 -23.734 0.660 1.00 0.00 C ATOM 214 O LEU A 16 -4.615 -24.355 0.081 1.00 0.00 O ATOM 215 CB LEU A 16 -6.009 -24.624 2.943 1.00 0.00 C ATOM 216 CG LEU A 16 -6.934 -25.346 3.924 1.00 0.00 C ATOM 217 CD1 LEU A 16 -6.684 -26.846 3.888 1.00 0.00 C ATOM 218 CD2 LEU A 16 -6.744 -24.805 5.333 1.00 0.00 C ATOM 0 H LEU A 16 -6.252 -26.491 1.171 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.444 -23.829 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.070 -25.174 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.778 -23.640 3.350 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.965 -25.163 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.351 -27.343 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.872 -27.222 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.649 -27.049 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.410 -25.330 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.711 -24.957 5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.975 -23.740 5.348 1.00 0.00 H new ATOM 230 N PRO A 17 -5.620 -22.400 0.574 1.00 0.00 N ATOM 231 CA PRO A 17 -4.697 -21.576 -0.213 1.00 0.00 C ATOM 232 C PRO A 17 -3.304 -21.516 0.405 1.00 0.00 C ATOM 233 O PRO A 17 -3.119 -21.836 1.580 1.00 0.00 O ATOM 234 CB PRO A 17 -5.351 -20.193 -0.192 1.00 0.00 C ATOM 235 CG PRO A 17 -6.176 -20.182 1.049 1.00 0.00 C ATOM 236 CD PRO A 17 -6.657 -21.594 1.238 1.00 0.00 C ATOM 0 HA PRO A 17 -4.546 -21.976 -1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.602 -19.401 -0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.966 -20.033 -1.078 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.588 -19.852 1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.015 -19.493 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.749 -21.849 2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.637 -21.749 0.786 1.00 0.00 H new ATOM 244 N THR A 18 -2.325 -21.103 -0.394 1.00 0.00 N ATOM 245 CA THR A 18 -0.948 -21.002 0.073 1.00 0.00 C ATOM 246 C THR A 18 -0.633 -19.589 0.552 1.00 0.00 C ATOM 247 O THR A 18 0.273 -19.385 1.361 1.00 0.00 O ATOM 248 CB THR A 18 0.051 -21.391 -1.032 1.00 0.00 C ATOM 249 OG1 THR A 18 -0.231 -22.713 -1.504 1.00 0.00 O ATOM 250 CG2 THR A 18 1.481 -21.326 -0.517 1.00 0.00 C ATOM 0 H THR A 18 -2.461 -20.833 -1.368 1.00 0.00 H new ATOM 0 HA THR A 18 -0.845 -21.698 0.906 1.00 0.00 H new ATOM 0 HB THR A 18 -0.055 -20.682 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.408 -22.952 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.168 -21.605 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.703 -20.312 -0.185 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.598 -22.015 0.320 1.00 0.00 H new ATOM 258 N TYR A 19 -1.386 -18.617 0.050 1.00 0.00 N ATOM 259 CA TYR A 19 -1.186 -17.223 0.425 1.00 0.00 C ATOM 260 C TYR A 19 -1.504 -17.005 1.902 1.00 0.00 C ATOM 261 O TYR A 19 -2.377 -17.666 2.464 1.00 0.00 O ATOM 262 CB TYR A 19 -2.060 -16.310 -0.436 1.00 0.00 C ATOM 263 CG TYR A 19 -3.472 -16.158 0.084 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.777 -15.218 1.061 1.00 0.00 C ATOM 265 CD2 TYR A 19 -4.502 -16.953 -0.403 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.065 -15.076 1.539 1.00 0.00 C ATOM 267 CE2 TYR A 19 -5.794 -16.817 0.068 1.00 0.00 C ATOM 268 CZ TYR A 19 -6.070 -15.878 1.039 1.00 0.00 C ATOM 269 OH TYR A 19 -7.355 -15.739 1.511 1.00 0.00 O ATOM 0 H TYR A 19 -2.141 -18.769 -0.618 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.138 -16.975 0.257 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.595 -15.326 -0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.096 -16.707 -1.451 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.993 -14.587 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.289 -17.690 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.284 -14.341 2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.583 -17.443 -0.322 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.671 -14.828 1.336 1.00 0.00 H new ATOM 279 N ASP A 20 -0.788 -16.074 2.523 1.00 0.00 N ATOM 280 CA ASP A 20 -0.994 -15.766 3.933 1.00 0.00 C ATOM 281 C ASP A 20 -0.712 -14.294 4.215 1.00 0.00 C ATOM 282 O ASP A 20 0.438 -13.857 4.192 1.00 0.00 O ATOM 283 CB ASP A 20 -0.097 -16.646 4.805 1.00 0.00 C ATOM 284 CG ASP A 20 -0.718 -17.998 5.096 1.00 0.00 C ATOM 285 OD1 ASP A 20 -1.783 -18.033 5.747 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.139 -19.021 4.673 1.00 0.00 O ATOM 0 H ASP A 20 -0.060 -15.520 2.072 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.037 -15.970 4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.861 -16.790 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.107 -16.133 5.745 1.00 0.00 H new ATOM 291 N ALA A 21 -1.769 -13.534 4.480 1.00 0.00 N ATOM 292 CA ALA A 21 -1.635 -12.111 4.768 1.00 0.00 C ATOM 293 C ALA A 21 -0.730 -11.877 5.972 1.00 0.00 C ATOM 294 O ALA A 21 0.096 -10.964 5.972 1.00 0.00 O ATOM 295 CB ALA A 21 -3.004 -11.490 5.005 1.00 0.00 C ATOM 0 H ALA A 21 -2.728 -13.880 4.501 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.175 -11.632 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.889 -10.427 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.620 -11.617 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.485 -11.981 5.851 1.00 0.00 H new ATOM 301 N SER A 22 -0.890 -12.708 6.997 1.00 0.00 N ATOM 302 CA SER A 22 -0.089 -12.588 8.210 1.00 0.00 C ATOM 303 C SER A 22 1.400 -12.558 7.877 1.00 0.00 C ATOM 304 O SER A 22 2.202 -11.984 8.614 1.00 0.00 O ATOM 305 CB SER A 22 -0.388 -13.749 9.160 1.00 0.00 C ATOM 306 OG SER A 22 -0.280 -14.995 8.494 1.00 0.00 O ATOM 0 H SER A 22 -1.567 -13.471 7.012 1.00 0.00 H new ATOM 0 HA SER A 22 -0.353 -11.650 8.699 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.304 -13.722 10.001 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.392 -13.638 9.570 1.00 0.00 H new ATOM 0 HG SER A 22 -0.474 -15.720 9.124 1.00 0.00 H new ATOM 312 N LYS A 23 1.763 -13.182 6.762 1.00 0.00 N ATOM 313 CA LYS A 23 3.154 -13.227 6.328 1.00 0.00 C ATOM 314 C LYS A 23 3.475 -12.056 5.405 1.00 0.00 C ATOM 315 O LYS A 23 4.285 -12.180 4.486 1.00 0.00 O ATOM 316 CB LYS A 23 3.444 -14.549 5.612 1.00 0.00 C ATOM 317 CG LYS A 23 3.480 -15.749 6.542 1.00 0.00 C ATOM 318 CD LYS A 23 4.692 -15.709 7.457 1.00 0.00 C ATOM 319 CE LYS A 23 4.647 -16.822 8.492 1.00 0.00 C ATOM 320 NZ LYS A 23 5.867 -16.837 9.345 1.00 0.00 N ATOM 0 H LYS A 23 1.112 -13.664 6.142 1.00 0.00 H new ATOM 0 HA LYS A 23 3.787 -13.153 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.683 -14.714 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.401 -14.471 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.570 -15.773 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.497 -16.666 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.601 -15.800 6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.737 -14.744 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.766 -16.697 9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.545 -17.783 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.797 -17.610 10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.706 -16.982 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.951 -15.930 9.846 1.00 0.00 H new ATOM 334 N VAL A 24 2.836 -10.918 5.657 1.00 0.00 N ATOM 335 CA VAL A 24 3.056 -9.723 4.851 1.00 0.00 C ATOM 336 C VAL A 24 3.634 -8.591 5.692 1.00 0.00 C ATOM 337 O VAL A 24 3.038 -8.173 6.686 1.00 0.00 O ATOM 338 CB VAL A 24 1.750 -9.243 4.191 1.00 0.00 C ATOM 339 CG1 VAL A 24 1.925 -7.847 3.613 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.305 -10.223 3.116 1.00 0.00 C ATOM 0 H VAL A 24 2.162 -10.798 6.413 1.00 0.00 H new ATOM 0 HA VAL A 24 3.770 -9.993 4.073 1.00 0.00 H new ATOM 0 HB VAL A 24 0.973 -9.199 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.992 -7.525 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.193 -7.154 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.716 -7.860 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.381 -9.868 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.079 -10.302 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.136 -11.202 3.564 1.00 0.00 H new ATOM 350 N THR A 25 4.800 -8.096 5.289 1.00 0.00 N ATOM 351 CA THR A 25 5.460 -7.012 6.005 1.00 0.00 C ATOM 352 C THR A 25 6.133 -6.044 5.039 1.00 0.00 C ATOM 353 O THR A 25 6.551 -6.431 3.948 1.00 0.00 O ATOM 354 CB THR A 25 6.513 -7.550 6.992 1.00 0.00 C ATOM 355 OG1 THR A 25 7.366 -8.492 6.333 1.00 0.00 O ATOM 356 CG2 THR A 25 5.845 -8.213 8.188 1.00 0.00 C ATOM 0 H THR A 25 5.307 -8.429 4.469 1.00 0.00 H new ATOM 0 HA THR A 25 4.686 -6.485 6.563 1.00 0.00 H new ATOM 0 HB THR A 25 7.108 -6.709 7.348 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.034 -8.828 6.967 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.609 -8.585 8.871 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.219 -7.485 8.705 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.228 -9.044 7.846 1.00 0.00 H new ATOM 364 N ALA A 26 6.235 -4.783 5.447 1.00 0.00 N ATOM 365 CA ALA A 26 6.860 -3.760 4.618 1.00 0.00 C ATOM 366 C ALA A 26 7.798 -2.884 5.442 1.00 0.00 C ATOM 367 O ALA A 26 7.605 -2.711 6.645 1.00 0.00 O ATOM 368 CB ALA A 26 5.797 -2.907 3.941 1.00 0.00 C ATOM 0 H ALA A 26 5.893 -4.446 6.347 1.00 0.00 H new ATOM 0 HA ALA A 26 7.452 -4.260 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.278 -2.147 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.169 -3.539 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.181 -2.423 4.699 1.00 0.00 H new ATOM 374 N SER A 27 8.814 -2.333 4.786 1.00 0.00 N ATOM 375 CA SER A 27 9.785 -1.478 5.459 1.00 0.00 C ATOM 376 C SER A 27 10.268 -0.369 4.529 1.00 0.00 C ATOM 377 O SER A 27 10.275 -0.524 3.309 1.00 0.00 O ATOM 378 CB SER A 27 10.976 -2.307 5.944 1.00 0.00 C ATOM 379 OG SER A 27 10.597 -3.178 6.995 1.00 0.00 O ATOM 0 H SER A 27 8.986 -2.463 3.789 1.00 0.00 H new ATOM 0 HA SER A 27 9.296 -1.020 6.319 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.381 -2.887 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.770 -1.643 6.286 1.00 0.00 H new ATOM 0 HG SER A 27 11.375 -3.698 7.286 1.00 0.00 H new ATOM 385 N GLY A 28 10.672 0.754 5.117 1.00 0.00 N ATOM 386 CA GLY A 28 11.151 1.874 4.329 1.00 0.00 C ATOM 387 C GLY A 28 10.713 3.210 4.894 1.00 0.00 C ATOM 388 O GLY A 28 10.136 3.291 5.979 1.00 0.00 O ATOM 0 H GLY A 28 10.676 0.907 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.240 1.842 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.785 1.778 3.307 1.00 0.00 H new ATOM 392 N PRO A 29 10.991 4.291 4.151 1.00 0.00 N ATOM 393 CA PRO A 29 10.632 5.651 4.565 1.00 0.00 C ATOM 394 C PRO A 29 9.126 5.890 4.526 1.00 0.00 C ATOM 395 O PRO A 29 8.580 6.605 5.365 1.00 0.00 O ATOM 396 CB PRO A 29 11.340 6.534 3.535 1.00 0.00 C ATOM 397 CG PRO A 29 11.488 5.669 2.331 1.00 0.00 C ATOM 398 CD PRO A 29 11.677 4.270 2.848 1.00 0.00 C ATOM 0 HA PRO A 29 10.926 5.854 5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.756 7.427 3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.310 6.871 3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.607 5.734 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.341 5.981 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.240 3.531 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.733 4.020 2.954 1.00 0.00 H new ATOM 406 N GLY A 30 8.461 5.286 3.546 1.00 0.00 N ATOM 407 CA GLY A 30 7.024 5.446 3.416 1.00 0.00 C ATOM 408 C GLY A 30 6.281 5.051 4.677 1.00 0.00 C ATOM 409 O GLY A 30 5.173 5.527 4.929 1.00 0.00 O ATOM 0 H GLY A 30 8.891 4.689 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.797 6.484 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.668 4.840 2.583 1.00 0.00 H new ATOM 413 N LEU A 31 6.889 4.176 5.471 1.00 0.00 N ATOM 414 CA LEU A 31 6.277 3.715 6.712 1.00 0.00 C ATOM 415 C LEU A 31 7.131 4.099 7.916 1.00 0.00 C ATOM 416 O LEU A 31 7.017 3.502 8.986 1.00 0.00 O ATOM 417 CB LEU A 31 6.082 2.198 6.674 1.00 0.00 C ATOM 418 CG LEU A 31 5.347 1.646 5.452 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.686 0.179 5.243 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.844 1.832 5.604 1.00 0.00 C ATOM 0 H LEU A 31 7.805 3.772 5.277 1.00 0.00 H new ATOM 0 HA LEU A 31 5.305 4.198 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.062 1.724 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.534 1.900 7.568 1.00 0.00 H new ATOM 0 HG LEU A 31 5.674 2.202 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.154 -0.196 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.760 0.072 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.388 -0.392 6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.337 1.433 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.500 1.303 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.617 2.893 5.703 1.00 0.00 H new ATOM 432 N SER A 32 7.986 5.100 7.733 1.00 0.00 N ATOM 433 CA SER A 32 8.861 5.563 8.804 1.00 0.00 C ATOM 434 C SER A 32 8.047 6.103 9.975 1.00 0.00 C ATOM 435 O SER A 32 7.317 7.085 9.838 1.00 0.00 O ATOM 436 CB SER A 32 9.809 6.646 8.284 1.00 0.00 C ATOM 437 OG SER A 32 10.643 7.134 9.321 1.00 0.00 O ATOM 0 H SER A 32 8.092 5.606 6.854 1.00 0.00 H new ATOM 0 HA SER A 32 9.448 4.714 9.153 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.423 6.241 7.480 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.231 7.467 7.861 1.00 0.00 H new ATOM 0 HG SER A 32 11.240 7.824 8.963 1.00 0.00 H new ATOM 443 N SER A 33 8.178 5.455 11.128 1.00 0.00 N ATOM 444 CA SER A 33 7.452 5.866 12.324 1.00 0.00 C ATOM 445 C SER A 33 7.940 7.226 12.815 1.00 0.00 C ATOM 446 O SER A 33 7.171 8.012 13.368 1.00 0.00 O ATOM 447 CB SER A 33 7.616 4.823 13.430 1.00 0.00 C ATOM 448 OG SER A 33 8.920 4.865 13.982 1.00 0.00 O ATOM 0 H SER A 33 8.781 4.643 11.259 1.00 0.00 H new ATOM 0 HA SER A 33 6.396 5.949 12.067 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.880 5.001 14.214 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.420 3.829 13.028 1.00 0.00 H new ATOM 0 HG SER A 33 8.998 4.190 14.688 1.00 0.00 H new ATOM 454 N TYR A 34 9.224 7.496 12.608 1.00 0.00 N ATOM 455 CA TYR A 34 9.818 8.758 13.032 1.00 0.00 C ATOM 456 C TYR A 34 9.172 9.934 12.305 1.00 0.00 C ATOM 457 O TYR A 34 9.088 11.039 12.840 1.00 0.00 O ATOM 458 CB TYR A 34 11.325 8.750 12.773 1.00 0.00 C ATOM 459 CG TYR A 34 12.075 7.727 13.596 1.00 0.00 C ATOM 460 CD1 TYR A 34 12.279 7.917 14.957 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.581 6.572 13.013 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.964 6.986 15.713 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.266 5.635 13.761 1.00 0.00 C ATOM 464 CZ TYR A 34 13.455 5.846 15.111 1.00 0.00 C ATOM 465 OH TYR A 34 14.139 4.916 15.860 1.00 0.00 O ATOM 0 H TYR A 34 9.874 6.857 12.149 1.00 0.00 H new ATOM 0 HA TYR A 34 9.641 8.873 14.101 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.502 8.554 11.716 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.727 9.741 12.986 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.895 8.808 15.432 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.436 6.404 11.956 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.114 7.150 16.770 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.652 4.742 13.292 1.00 0.00 H new ATOM 0 HH TYR A 34 14.416 4.173 15.285 1.00 0.00 H new ATOM 475 N GLY A 35 8.716 9.687 11.081 1.00 0.00 N ATOM 476 CA GLY A 35 8.083 10.733 10.299 1.00 0.00 C ATOM 477 C GLY A 35 8.554 10.746 8.858 1.00 0.00 C ATOM 478 O GLY A 35 9.651 10.279 8.552 1.00 0.00 O ATOM 0 H GLY A 35 8.774 8.781 10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.002 10.597 10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.293 11.701 10.755 1.00 0.00 H new ATOM 482 N VAL A 36 7.722 11.282 7.970 1.00 0.00 N ATOM 483 CA VAL A 36 8.059 11.353 6.554 1.00 0.00 C ATOM 484 C VAL A 36 8.020 12.792 6.051 1.00 0.00 C ATOM 485 O VAL A 36 7.273 13.632 6.555 1.00 0.00 O ATOM 486 CB VAL A 36 7.099 10.499 5.705 1.00 0.00 C ATOM 487 CG1 VAL A 36 7.316 9.019 5.981 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.655 10.894 5.974 1.00 0.00 C ATOM 0 H VAL A 36 6.810 11.673 8.207 1.00 0.00 H new ATOM 0 HA VAL A 36 9.071 10.962 6.450 1.00 0.00 H new ATOM 0 HB VAL A 36 7.311 10.683 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.629 8.431 5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.343 8.749 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.132 8.815 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.991 10.280 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.426 10.741 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.512 11.944 5.721 1.00 0.00 H new ATOM 498 N PRO A 37 8.843 13.086 5.034 1.00 0.00 N ATOM 499 CA PRO A 37 8.921 14.424 4.440 1.00 0.00 C ATOM 500 C PRO A 37 7.664 14.784 3.655 1.00 0.00 C ATOM 501 O PRO A 37 7.357 14.163 2.638 1.00 0.00 O ATOM 502 CB PRO A 37 10.127 14.327 3.503 1.00 0.00 C ATOM 503 CG PRO A 37 10.228 12.879 3.164 1.00 0.00 C ATOM 504 CD PRO A 37 9.761 12.135 4.385 1.00 0.00 C ATOM 0 HA PRO A 37 9.015 15.201 5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.984 14.934 2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.035 14.684 3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.610 12.637 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.253 12.608 2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.256 11.206 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.593 11.871 5.037 1.00 0.00 H new ATOM 512 N ALA A 38 6.941 15.791 4.134 1.00 0.00 N ATOM 513 CA ALA A 38 5.719 16.235 3.476 1.00 0.00 C ATOM 514 C ALA A 38 5.995 16.671 2.041 1.00 0.00 C ATOM 515 O ALA A 38 7.147 16.864 1.652 1.00 0.00 O ATOM 516 CB ALA A 38 5.078 17.370 4.261 1.00 0.00 C ATOM 0 H ALA A 38 7.181 16.315 4.976 1.00 0.00 H new ATOM 0 HA ALA A 38 5.027 15.394 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.166 17.691 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.835 17.025 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.773 18.208 4.323 1.00 0.00 H new ATOM 522 N SER A 39 4.932 16.825 1.259 1.00 0.00 N ATOM 523 CA SER A 39 5.061 17.235 -0.135 1.00 0.00 C ATOM 524 C SER A 39 6.274 16.576 -0.784 1.00 0.00 C ATOM 525 O SER A 39 7.034 17.222 -1.507 1.00 0.00 O ATOM 526 CB SER A 39 5.180 18.757 -0.232 1.00 0.00 C ATOM 527 OG SER A 39 4.728 19.224 -1.491 1.00 0.00 O ATOM 0 H SER A 39 3.972 16.672 1.566 1.00 0.00 H new ATOM 0 HA SER A 39 4.166 16.913 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.597 19.222 0.563 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.218 19.054 -0.081 1.00 0.00 H new ATOM 0 HG SER A 39 4.813 20.200 -1.528 1.00 0.00 H new ATOM 533 N LEU A 40 6.450 15.285 -0.523 1.00 0.00 N ATOM 534 CA LEU A 40 7.570 14.537 -1.081 1.00 0.00 C ATOM 535 C LEU A 40 7.142 13.125 -1.469 1.00 0.00 C ATOM 536 O LEU A 40 6.561 12.385 -0.675 1.00 0.00 O ATOM 537 CB LEU A 40 8.720 14.475 -0.074 1.00 0.00 C ATOM 538 CG LEU A 40 10.131 14.485 -0.665 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.377 13.225 -1.479 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.341 15.725 -1.521 1.00 0.00 C ATOM 0 H LEU A 40 5.831 14.735 0.072 1.00 0.00 H new ATOM 0 HA LEU A 40 7.909 15.054 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.627 15.321 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.605 13.571 0.524 1.00 0.00 H new ATOM 0 HG LEU A 40 10.848 14.508 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.386 13.250 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.269 12.350 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.653 13.170 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.350 15.716 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.616 15.732 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.208 16.617 -0.909 1.00 0.00 H new ATOM 552 N PRO A 41 7.438 12.740 -2.720 1.00 0.00 N ATOM 553 CA PRO A 41 7.095 11.413 -3.241 1.00 0.00 C ATOM 554 C PRO A 41 7.925 10.306 -2.599 1.00 0.00 C ATOM 555 O PRO A 41 9.057 10.048 -3.008 1.00 0.00 O ATOM 556 CB PRO A 41 7.416 11.525 -4.734 1.00 0.00 C ATOM 557 CG PRO A 41 8.450 12.594 -4.820 1.00 0.00 C ATOM 558 CD PRO A 41 8.129 13.569 -3.721 1.00 0.00 C ATOM 0 HA PRO A 41 6.058 11.148 -3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.789 10.581 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.529 11.785 -5.311 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.451 12.180 -4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.427 13.082 -5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.031 14.024 -3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.495 14.381 -4.077 1.00 0.00 H new ATOM 566 N VAL A 42 7.354 9.654 -1.591 1.00 0.00 N ATOM 567 CA VAL A 42 8.041 8.573 -0.894 1.00 0.00 C ATOM 568 C VAL A 42 7.376 7.230 -1.172 1.00 0.00 C ATOM 569 O VAL A 42 6.153 7.141 -1.278 1.00 0.00 O ATOM 570 CB VAL A 42 8.068 8.815 0.627 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.654 8.894 1.181 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.862 7.721 1.326 1.00 0.00 C ATOM 0 H VAL A 42 6.418 9.855 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 42 9.064 8.553 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 42 8.561 9.769 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.694 9.065 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.121 9.715 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.132 7.958 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.871 7.908 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.400 6.754 1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.885 7.717 0.950 1.00 0.00 H new ATOM 582 N ASP A 43 8.190 6.186 -1.290 1.00 0.00 N ATOM 583 CA ASP A 43 7.681 4.846 -1.555 1.00 0.00 C ATOM 584 C ASP A 43 8.384 3.815 -0.677 1.00 0.00 C ATOM 585 O ASP A 43 9.532 4.005 -0.276 1.00 0.00 O ATOM 586 CB ASP A 43 7.866 4.489 -3.030 1.00 0.00 C ATOM 587 CG ASP A 43 9.216 4.924 -3.567 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.191 4.162 -3.405 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.296 6.027 -4.147 1.00 0.00 O ATOM 0 H ASP A 43 9.205 6.243 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 43 6.617 4.835 -1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.758 3.412 -3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.077 4.959 -3.616 1.00 0.00 H new ATOM 594 N PHE A 44 7.686 2.722 -0.382 1.00 0.00 N ATOM 595 CA PHE A 44 8.243 1.662 0.450 1.00 0.00 C ATOM 596 C PHE A 44 8.341 0.354 -0.331 1.00 0.00 C ATOM 597 O PHE A 44 8.039 0.306 -1.523 1.00 0.00 O ATOM 598 CB PHE A 44 7.382 1.460 1.699 1.00 0.00 C ATOM 599 CG PHE A 44 5.913 1.361 1.405 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.336 0.141 1.090 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.108 2.488 1.443 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.984 0.048 0.818 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.755 2.401 1.173 1.00 0.00 C ATOM 604 CZ PHE A 44 3.192 1.179 0.861 1.00 0.00 C ATOM 0 H PHE A 44 6.735 2.548 -0.707 1.00 0.00 H new ATOM 0 HA PHE A 44 9.247 1.960 0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.704 0.552 2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.552 2.289 2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.950 -0.747 1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.543 3.446 1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.547 -0.908 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.139 3.287 1.206 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.135 1.108 0.651 1.00 0.00 H new ATOM 614 N ALA A 45 8.767 -0.704 0.352 1.00 0.00 N ATOM 615 CA ALA A 45 8.905 -2.013 -0.276 1.00 0.00 C ATOM 616 C ALA A 45 8.272 -3.102 0.583 1.00 0.00 C ATOM 617 O ALA A 45 8.572 -3.221 1.771 1.00 0.00 O ATOM 618 CB ALA A 45 10.372 -2.324 -0.531 1.00 0.00 C ATOM 0 H ALA A 45 9.022 -0.680 1.339 1.00 0.00 H new ATOM 0 HA ALA A 45 8.380 -1.989 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.460 -3.304 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.795 -1.567 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.914 -2.325 0.415 1.00 0.00 H new ATOM 624 N ILE A 46 7.397 -3.895 -0.026 1.00 0.00 N ATOM 625 CA ILE A 46 6.723 -4.975 0.684 1.00 0.00 C ATOM 626 C ILE A 46 7.429 -6.308 0.456 1.00 0.00 C ATOM 627 O ILE A 46 7.274 -6.933 -0.593 1.00 0.00 O ATOM 628 CB ILE A 46 5.252 -5.105 0.246 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.512 -3.785 0.470 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.572 -6.235 1.004 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.379 -3.555 -0.505 1.00 0.00 C ATOM 0 H ILE A 46 7.138 -3.810 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 46 6.757 -4.725 1.744 1.00 0.00 H new ATOM 0 HB ILE A 46 5.224 -5.339 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.116 -3.767 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.222 -2.962 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.533 -6.315 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.088 -7.173 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.607 -6.028 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.899 -2.601 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.771 -3.540 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.648 -4.358 -0.410 1.00 0.00 H new ATOM 643 N ASP A 47 8.204 -6.737 1.446 1.00 0.00 N ATOM 644 CA ASP A 47 8.932 -7.997 1.355 1.00 0.00 C ATOM 645 C ASP A 47 8.099 -9.148 1.910 1.00 0.00 C ATOM 646 O ASP A 47 7.759 -9.167 3.093 1.00 0.00 O ATOM 647 CB ASP A 47 10.258 -7.900 2.111 1.00 0.00 C ATOM 648 CG ASP A 47 10.930 -9.249 2.277 1.00 0.00 C ATOM 649 OD1 ASP A 47 11.153 -9.930 1.255 1.00 0.00 O ATOM 650 OD2 ASP A 47 11.231 -9.624 3.430 1.00 0.00 O ATOM 0 H ASP A 47 8.344 -6.231 2.320 1.00 0.00 H new ATOM 0 HA ASP A 47 9.136 -8.195 0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.929 -7.227 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.082 -7.462 3.093 1.00 0.00 H new ATOM 655 N ALA A 48 7.772 -10.105 1.048 1.00 0.00 N ATOM 656 CA ALA A 48 6.979 -11.259 1.452 1.00 0.00 C ATOM 657 C ALA A 48 7.834 -12.520 1.509 1.00 0.00 C ATOM 658 O ALA A 48 8.490 -12.881 0.532 1.00 0.00 O ATOM 659 CB ALA A 48 5.809 -11.456 0.500 1.00 0.00 C ATOM 0 H ALA A 48 8.044 -10.104 0.065 1.00 0.00 H new ATOM 0 HA ALA A 48 6.591 -11.069 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.226 -12.322 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.176 -10.568 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.185 -11.619 -0.510 1.00 0.00 H new ATOM 665 N ARG A 49 7.823 -13.186 2.659 1.00 0.00 N ATOM 666 CA ARG A 49 8.600 -14.406 2.844 1.00 0.00 C ATOM 667 C ARG A 49 7.741 -15.641 2.590 1.00 0.00 C ATOM 668 O ARG A 49 8.065 -16.471 1.741 1.00 0.00 O ATOM 669 CB ARG A 49 9.181 -14.457 4.258 1.00 0.00 C ATOM 670 CG ARG A 49 10.208 -13.371 4.534 1.00 0.00 C ATOM 671 CD ARG A 49 10.728 -13.446 5.961 1.00 0.00 C ATOM 672 NE ARG A 49 9.669 -13.225 6.942 1.00 0.00 N ATOM 673 CZ ARG A 49 9.827 -13.405 8.248 1.00 0.00 C ATOM 674 NH1 ARG A 49 10.995 -13.808 8.728 1.00 0.00 N ATOM 675 NH2 ARG A 49 8.815 -13.182 9.077 1.00 0.00 N ATOM 0 H ARG A 49 7.284 -12.901 3.477 1.00 0.00 H new ATOM 0 HA ARG A 49 9.418 -14.399 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.368 -14.368 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.643 -15.431 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.040 -13.470 3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.760 -12.393 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.181 -14.423 6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.512 -12.702 6.101 1.00 0.00 H new ATOM 0 HE ARG A 49 8.757 -12.915 6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.775 -13.981 8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.114 -13.946 9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.915 -12.872 8.711 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.937 -13.321 10.080 1.00 0.00 H new ATOM 689 N ASP A 50 6.645 -15.755 3.332 1.00 0.00 N ATOM 690 CA ASP A 50 5.738 -16.889 3.188 1.00 0.00 C ATOM 691 C ASP A 50 4.325 -16.416 2.861 1.00 0.00 C ATOM 692 O ASP A 50 3.347 -17.099 3.161 1.00 0.00 O ATOM 693 CB ASP A 50 5.727 -17.726 4.467 1.00 0.00 C ATOM 694 CG ASP A 50 6.783 -18.814 4.457 1.00 0.00 C ATOM 695 OD1 ASP A 50 6.846 -19.571 3.466 1.00 0.00 O ATOM 696 OD2 ASP A 50 7.547 -18.907 5.440 1.00 0.00 O ATOM 0 H ASP A 50 6.363 -15.076 4.039 1.00 0.00 H new ATOM 0 HA ASP A 50 6.095 -17.506 2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.889 -17.074 5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.744 -18.179 4.592 1.00 0.00 H new ATOM 701 N ALA A 51 4.227 -15.242 2.247 1.00 0.00 N ATOM 702 CA ALA A 51 2.934 -14.678 1.879 1.00 0.00 C ATOM 703 C ALA A 51 2.447 -15.242 0.549 1.00 0.00 C ATOM 704 O ALA A 51 1.556 -14.680 -0.087 1.00 0.00 O ATOM 705 CB ALA A 51 3.019 -13.160 1.811 1.00 0.00 C ATOM 0 H ALA A 51 5.027 -14.663 1.994 1.00 0.00 H new ATOM 0 HA ALA A 51 2.213 -14.956 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.046 -12.753 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.313 -12.768 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.758 -12.870 1.064 1.00 0.00 H new ATOM 711 N GLY A 52 3.039 -16.358 0.132 1.00 0.00 N ATOM 712 CA GLY A 52 2.652 -16.979 -1.121 1.00 0.00 C ATOM 713 C GLY A 52 2.363 -15.962 -2.207 1.00 0.00 C ATOM 714 O GLY A 52 3.098 -14.988 -2.365 1.00 0.00 O ATOM 0 H GLY A 52 3.779 -16.842 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.448 -17.645 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.767 -17.595 -0.960 1.00 0.00 H new ATOM 718 N GLU A 53 1.289 -16.189 -2.958 1.00 0.00 N ATOM 719 CA GLU A 53 0.907 -15.286 -4.036 1.00 0.00 C ATOM 720 C GLU A 53 -0.577 -14.939 -3.955 1.00 0.00 C ATOM 721 O GLU A 53 -1.436 -15.816 -4.028 1.00 0.00 O ATOM 722 CB GLU A 53 1.221 -15.915 -5.395 1.00 0.00 C ATOM 723 CG GLU A 53 2.635 -15.644 -5.879 1.00 0.00 C ATOM 724 CD GLU A 53 2.966 -16.387 -7.160 1.00 0.00 C ATOM 725 OE1 GLU A 53 2.301 -16.126 -8.184 1.00 0.00 O ATOM 726 OE2 GLU A 53 3.888 -17.228 -7.137 1.00 0.00 O ATOM 0 H GLU A 53 0.669 -16.990 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 53 1.484 -14.368 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.068 -16.992 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.514 -15.536 -6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.760 -14.574 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.343 -15.934 -5.102 1.00 0.00 H new ATOM 733 N GLY A 54 -0.870 -13.651 -3.803 1.00 0.00 N ATOM 734 CA GLY A 54 -2.250 -13.209 -3.713 1.00 0.00 C ATOM 735 C GLY A 54 -2.445 -11.803 -4.244 1.00 0.00 C ATOM 736 O GLY A 54 -1.476 -11.113 -4.565 1.00 0.00 O ATOM 0 H GLY A 54 -0.177 -12.906 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.885 -13.896 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.574 -13.249 -2.673 1.00 0.00 H new ATOM 740 N LEU A 55 -3.699 -11.377 -4.339 1.00 0.00 N ATOM 741 CA LEU A 55 -4.018 -10.043 -4.837 1.00 0.00 C ATOM 742 C LEU A 55 -3.736 -8.984 -3.776 1.00 0.00 C ATOM 743 O LEU A 55 -4.428 -8.907 -2.760 1.00 0.00 O ATOM 744 CB LEU A 55 -5.486 -9.975 -5.264 1.00 0.00 C ATOM 745 CG LEU A 55 -5.900 -8.727 -6.045 1.00 0.00 C ATOM 746 CD1 LEU A 55 -5.672 -8.929 -7.535 1.00 0.00 C ATOM 747 CD2 LEU A 55 -7.356 -8.383 -5.768 1.00 0.00 C ATOM 0 H LEU A 55 -4.512 -11.935 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.384 -9.843 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.707 -10.851 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.107 -10.043 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.281 -7.893 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.972 -8.031 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.616 -9.126 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.264 -9.776 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.633 -7.492 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.991 -9.216 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.489 -8.194 -4.703 1.00 0.00 H new ATOM 759 N LEU A 56 -2.716 -8.168 -4.020 1.00 0.00 N ATOM 760 CA LEU A 56 -2.343 -7.111 -3.086 1.00 0.00 C ATOM 761 C LEU A 56 -3.117 -5.829 -3.378 1.00 0.00 C ATOM 762 O LEU A 56 -3.263 -5.429 -4.532 1.00 0.00 O ATOM 763 CB LEU A 56 -0.839 -6.841 -3.166 1.00 0.00 C ATOM 764 CG LEU A 56 -0.328 -5.648 -2.358 1.00 0.00 C ATOM 765 CD1 LEU A 56 -0.194 -6.016 -0.888 1.00 0.00 C ATOM 766 CD2 LEU A 56 1.003 -5.160 -2.911 1.00 0.00 C ATOM 0 H LEU A 56 -2.133 -8.218 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.594 -7.444 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.311 -7.734 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.573 -6.687 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.053 -4.839 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.171 -5.154 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.167 -6.316 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.510 -6.842 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.352 -4.311 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.737 -5.964 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.876 -4.855 -3.950 1.00 0.00 H new ATOM 778 N ALA A 57 -3.610 -5.189 -2.322 1.00 0.00 N ATOM 779 CA ALA A 57 -4.365 -3.950 -2.464 1.00 0.00 C ATOM 780 C ALA A 57 -3.805 -2.859 -1.558 1.00 0.00 C ATOM 781 O ALA A 57 -3.370 -3.130 -0.439 1.00 0.00 O ATOM 782 CB ALA A 57 -5.836 -4.191 -2.157 1.00 0.00 C ATOM 0 H ALA A 57 -3.500 -5.508 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.271 -3.612 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.388 -3.258 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.235 -4.933 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.939 -4.556 -1.135 1.00 0.00 H new ATOM 788 N VAL A 58 -3.818 -1.624 -2.050 1.00 0.00 N ATOM 789 CA VAL A 58 -3.312 -0.491 -1.284 1.00 0.00 C ATOM 790 C VAL A 58 -4.392 0.566 -1.088 1.00 0.00 C ATOM 791 O VAL A 58 -5.192 0.824 -1.987 1.00 0.00 O ATOM 792 CB VAL A 58 -2.096 0.155 -1.975 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.601 1.351 -1.177 1.00 0.00 C ATOM 794 CG2 VAL A 58 -0.985 -0.867 -2.164 1.00 0.00 C ATOM 0 H VAL A 58 -4.173 -1.383 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.006 -0.877 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.405 0.508 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.742 1.794 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.397 2.091 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.308 1.026 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.134 -0.393 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.676 -1.253 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.348 -1.689 -2.782 1.00 0.00 H new ATOM 804 N GLN A 59 -4.408 1.175 0.093 1.00 0.00 N ATOM 805 CA GLN A 59 -5.392 2.205 0.408 1.00 0.00 C ATOM 806 C GLN A 59 -4.769 3.313 1.252 1.00 0.00 C ATOM 807 O GLN A 59 -4.211 3.054 2.319 1.00 0.00 O ATOM 808 CB GLN A 59 -6.584 1.594 1.146 1.00 0.00 C ATOM 809 CG GLN A 59 -7.674 1.080 0.220 1.00 0.00 C ATOM 810 CD GLN A 59 -8.686 2.149 -0.141 1.00 0.00 C ATOM 811 OE1 GLN A 59 -9.478 2.579 0.698 1.00 0.00 O ATOM 812 NE2 GLN A 59 -8.665 2.586 -1.395 1.00 0.00 N ATOM 0 H GLN A 59 -3.752 0.974 0.847 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.739 2.639 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.232 0.773 1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.010 2.343 1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.218 0.694 -0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.188 0.246 0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.991 2.202 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.322 3.306 -1.695 1.00 0.00 H new ATOM 821 N ILE A 60 -4.868 4.546 0.767 1.00 0.00 N ATOM 822 CA ILE A 60 -4.315 5.692 1.477 1.00 0.00 C ATOM 823 C ILE A 60 -5.388 6.742 1.747 1.00 0.00 C ATOM 824 O ILE A 60 -6.245 7.001 0.902 1.00 0.00 O ATOM 825 CB ILE A 60 -3.164 6.342 0.688 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.020 5.344 0.496 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.670 7.591 1.402 1.00 0.00 C ATOM 828 CD1 ILE A 60 -0.943 5.833 -0.447 1.00 0.00 C ATOM 0 H ILE A 60 -5.326 4.777 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.929 5.318 2.425 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.536 6.633 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.572 5.127 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.426 4.407 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.856 8.039 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.487 8.307 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.312 7.324 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.165 5.075 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.378 6.023 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.509 6.754 -0.058 1.00 0.00 H new ATOM 840 N THR A 61 -5.334 7.345 2.931 1.00 0.00 N ATOM 841 CA THR A 61 -6.300 8.367 3.312 1.00 0.00 C ATOM 842 C THR A 61 -5.630 9.494 4.090 1.00 0.00 C ATOM 843 O THR A 61 -4.494 9.358 4.543 1.00 0.00 O ATOM 844 CB THR A 61 -7.437 7.774 4.167 1.00 0.00 C ATOM 845 OG1 THR A 61 -6.897 6.889 5.154 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.433 7.024 3.296 1.00 0.00 C ATOM 0 H THR A 61 -4.631 7.143 3.642 1.00 0.00 H new ATOM 0 HA THR A 61 -6.719 8.766 2.388 1.00 0.00 H new ATOM 0 HB THR A 61 -7.957 8.595 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.626 6.518 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.226 6.614 3.921 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.864 7.708 2.565 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.924 6.212 2.777 1.00 0.00 H new ATOM 854 N ASP A 62 -6.341 10.606 4.241 1.00 0.00 N ATOM 855 CA ASP A 62 -5.815 11.757 4.966 1.00 0.00 C ATOM 856 C ASP A 62 -6.497 11.903 6.322 1.00 0.00 C ATOM 857 O ASP A 62 -7.315 11.068 6.708 1.00 0.00 O ATOM 858 CB ASP A 62 -6.005 13.034 4.145 1.00 0.00 C ATOM 859 CG ASP A 62 -7.235 12.976 3.261 1.00 0.00 C ATOM 860 OD1 ASP A 62 -7.132 12.446 2.134 1.00 0.00 O ATOM 861 OD2 ASP A 62 -8.301 13.459 3.695 1.00 0.00 O ATOM 0 H ASP A 62 -7.283 10.735 3.871 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.750 11.596 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.085 13.887 4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.123 13.199 3.526 1.00 0.00 H new ATOM 866 N GLN A 63 -6.154 12.967 7.040 1.00 0.00 N ATOM 867 CA GLN A 63 -6.732 13.220 8.355 1.00 0.00 C ATOM 868 C GLN A 63 -8.256 13.229 8.286 1.00 0.00 C ATOM 869 O GLN A 63 -8.930 12.768 9.207 1.00 0.00 O ATOM 870 CB GLN A 63 -6.227 14.553 8.909 1.00 0.00 C ATOM 871 CG GLN A 63 -6.622 15.753 8.063 1.00 0.00 C ATOM 872 CD GLN A 63 -5.946 17.033 8.515 1.00 0.00 C ATOM 873 OE1 GLN A 63 -6.610 18.020 8.833 1.00 0.00 O ATOM 874 NE2 GLN A 63 -4.619 17.023 8.546 1.00 0.00 N ATOM 0 H GLN A 63 -5.479 13.668 6.734 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.421 12.416 9.022 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.615 14.687 9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.140 14.516 8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.365 15.559 7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.703 15.883 8.106 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.109 16.183 8.274 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.109 17.856 8.842 1.00 0.00 H new ATOM 883 N GLU A 64 -8.791 13.757 7.190 1.00 0.00 N ATOM 884 CA GLU A 64 -10.236 13.827 7.003 1.00 0.00 C ATOM 885 C GLU A 64 -10.782 12.499 6.485 1.00 0.00 C ATOM 886 O GLU A 64 -11.949 12.172 6.694 1.00 0.00 O ATOM 887 CB GLU A 64 -10.593 14.952 6.030 1.00 0.00 C ATOM 888 CG GLU A 64 -12.084 15.083 5.772 1.00 0.00 C ATOM 889 CD GLU A 64 -12.819 15.749 6.919 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.179 16.520 7.664 1.00 0.00 O ATOM 891 OE2 GLU A 64 -14.033 15.500 7.072 1.00 0.00 O ATOM 0 H GLU A 64 -8.246 14.142 6.418 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.692 14.035 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.217 15.896 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.083 14.777 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.242 15.660 4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.507 14.093 5.600 1.00 0.00 H new ATOM 898 N GLY A 65 -9.927 11.738 5.808 1.00 0.00 N ATOM 899 CA GLY A 65 -10.342 10.456 5.270 1.00 0.00 C ATOM 900 C GLY A 65 -10.676 10.528 3.793 1.00 0.00 C ATOM 901 O GLY A 65 -11.562 9.819 3.314 1.00 0.00 O ATOM 0 H GLY A 65 -8.955 11.987 5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.547 9.726 5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.213 10.100 5.819 1.00 0.00 H new ATOM 905 N LYS A 66 -9.968 11.387 3.068 1.00 0.00 N ATOM 906 CA LYS A 66 -10.194 11.550 1.637 1.00 0.00 C ATOM 907 C LYS A 66 -9.202 10.717 0.832 1.00 0.00 C ATOM 908 O LYS A 66 -8.094 10.421 1.280 1.00 0.00 O ATOM 909 CB LYS A 66 -10.073 13.025 1.246 1.00 0.00 C ATOM 910 CG LYS A 66 -11.061 13.928 1.964 1.00 0.00 C ATOM 911 CD LYS A 66 -10.846 15.388 1.603 1.00 0.00 C ATOM 912 CE LYS A 66 -11.672 15.790 0.391 1.00 0.00 C ATOM 913 NZ LYS A 66 -13.093 16.056 0.751 1.00 0.00 N ATOM 0 H LYS A 66 -9.232 11.982 3.449 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.202 11.202 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.060 13.367 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.222 13.120 0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.078 13.634 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.956 13.799 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.114 16.017 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.790 15.562 1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.240 16.681 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.629 14.998 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.622 16.327 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.514 15.198 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.136 16.829 1.445 1.00 0.00 H new ATOM 927 N PRO A 67 -9.607 10.328 -0.387 1.00 0.00 N ATOM 928 CA PRO A 67 -8.768 9.525 -1.281 1.00 0.00 C ATOM 929 C PRO A 67 -7.577 10.311 -1.819 1.00 0.00 C ATOM 930 O PRO A 67 -7.736 11.403 -2.365 1.00 0.00 O ATOM 931 CB PRO A 67 -9.720 9.151 -2.419 1.00 0.00 C ATOM 932 CG PRO A 67 -10.751 10.226 -2.421 1.00 0.00 C ATOM 933 CD PRO A 67 -10.915 10.644 -0.986 1.00 0.00 C ATOM 0 HA PRO A 67 -8.334 8.665 -0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.196 9.104 -3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.170 8.172 -2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.437 11.067 -3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.693 9.863 -2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.150 11.705 -0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.723 10.098 -0.498 1.00 0.00 H new ATOM 941 N LYS A 68 -6.384 9.748 -1.663 1.00 0.00 N ATOM 942 CA LYS A 68 -5.165 10.394 -2.135 1.00 0.00 C ATOM 943 C LYS A 68 -4.533 9.599 -3.273 1.00 0.00 C ATOM 944 O LYS A 68 -4.503 8.369 -3.241 1.00 0.00 O ATOM 945 CB LYS A 68 -4.165 10.544 -0.986 1.00 0.00 C ATOM 946 CG LYS A 68 -4.667 11.422 0.147 1.00 0.00 C ATOM 947 CD LYS A 68 -5.086 12.794 -0.355 1.00 0.00 C ATOM 948 CE LYS A 68 -3.930 13.518 -1.028 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.894 13.262 -2.495 1.00 0.00 N ATOM 0 H LYS A 68 -6.235 8.845 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.429 11.383 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.928 9.556 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.237 10.963 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.513 10.939 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.885 11.532 0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.911 12.688 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.454 13.391 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.019 14.589 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.990 13.196 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.425 14.057 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.367 12.385 -2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.865 13.165 -2.854 1.00 0.00 H new ATOM 963 N ARG A 69 -4.027 10.309 -4.276 1.00 0.00 N ATOM 964 CA ARG A 69 -3.395 9.669 -5.423 1.00 0.00 C ATOM 965 C ARG A 69 -2.264 8.748 -4.977 1.00 0.00 C ATOM 966 O ARG A 69 -1.278 9.197 -4.392 1.00 0.00 O ATOM 967 CB ARG A 69 -2.856 10.724 -6.390 1.00 0.00 C ATOM 968 CG ARG A 69 -2.537 10.178 -7.772 1.00 0.00 C ATOM 969 CD ARG A 69 -2.553 11.277 -8.823 1.00 0.00 C ATOM 970 NE ARG A 69 -3.865 11.910 -8.933 1.00 0.00 N ATOM 971 CZ ARG A 69 -4.290 12.536 -10.025 1.00 0.00 C ATOM 972 NH1 ARG A 69 -3.511 12.610 -11.096 1.00 0.00 N ATOM 973 NH2 ARG A 69 -5.496 13.087 -10.048 1.00 0.00 N ATOM 0 H ARG A 69 -4.043 11.328 -4.317 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.149 9.070 -5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.589 11.525 -6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.954 11.166 -5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.557 9.700 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.263 9.409 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.807 12.031 -8.571 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.270 10.859 -9.789 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.489 11.869 -8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.584 12.186 -11.082 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.839 13.091 -11.933 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.098 13.030 -9.227 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.821 13.567 -10.887 1.00 0.00 H new ATOM 987 N ALA A 70 -2.413 7.457 -5.256 1.00 0.00 N ATOM 988 CA ALA A 70 -1.404 6.473 -4.884 1.00 0.00 C ATOM 989 C ALA A 70 -0.978 5.642 -6.090 1.00 0.00 C ATOM 990 O ALA A 70 -1.817 5.106 -6.814 1.00 0.00 O ATOM 991 CB ALA A 70 -1.929 5.571 -3.778 1.00 0.00 C ATOM 0 H ALA A 70 -3.223 7.068 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.528 7.008 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.165 4.841 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.177 6.173 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.822 5.051 -4.126 1.00 0.00 H new ATOM 997 N ILE A 71 0.330 5.540 -6.300 1.00 0.00 N ATOM 998 CA ILE A 71 0.867 4.774 -7.418 1.00 0.00 C ATOM 999 C ILE A 71 1.214 3.351 -6.993 1.00 0.00 C ATOM 1000 O ILE A 71 1.821 3.136 -5.944 1.00 0.00 O ATOM 1001 CB ILE A 71 2.123 5.443 -8.008 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.797 6.861 -8.482 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.678 4.610 -9.153 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.015 7.749 -8.612 1.00 0.00 C ATOM 0 H ILE A 71 1.038 5.978 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 71 0.090 4.743 -8.182 1.00 0.00 H new ATOM 0 HB ILE A 71 2.883 5.506 -7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.293 6.806 -9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.097 7.318 -7.782 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.565 5.096 -9.560 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.943 3.618 -8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.924 4.518 -9.935 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.709 8.738 -8.952 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.508 7.834 -7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.706 7.315 -9.334 1.00 0.00 H new ATOM 1016 N VAL A 72 0.826 2.382 -7.816 1.00 0.00 N ATOM 1017 CA VAL A 72 1.099 0.979 -7.527 1.00 0.00 C ATOM 1018 C VAL A 72 2.208 0.439 -8.424 1.00 0.00 C ATOM 1019 O VAL A 72 1.995 0.191 -9.611 1.00 0.00 O ATOM 1020 CB VAL A 72 -0.162 0.114 -7.710 1.00 0.00 C ATOM 1021 CG1 VAL A 72 0.153 -1.351 -7.444 1.00 0.00 C ATOM 1022 CG2 VAL A 72 -1.279 0.601 -6.800 1.00 0.00 C ATOM 0 H VAL A 72 0.322 2.543 -8.688 1.00 0.00 H new ATOM 0 HA VAL A 72 1.420 0.926 -6.487 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.499 0.207 -8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.750 -1.947 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.919 -1.691 -8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.515 -1.466 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.162 -0.022 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.955 0.539 -5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.521 1.636 -7.043 1.00 0.00 H new ATOM 1032 N HIS A 73 3.392 0.259 -7.848 1.00 0.00 N ATOM 1033 CA HIS A 73 4.535 -0.254 -8.595 1.00 0.00 C ATOM 1034 C HIS A 73 4.508 -1.778 -8.652 1.00 0.00 C ATOM 1035 O HIS A 73 4.297 -2.443 -7.638 1.00 0.00 O ATOM 1036 CB HIS A 73 5.841 0.221 -7.958 1.00 0.00 C ATOM 1037 CG HIS A 73 6.965 0.371 -8.937 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.246 -0.565 -9.909 1.00 0.00 N ATOM 1039 CD2 HIS A 73 7.879 1.357 -9.090 1.00 0.00 C ATOM 1040 CE1 HIS A 73 8.286 -0.162 -10.618 1.00 0.00 C ATOM 1041 NE2 HIS A 73 8.689 1.003 -10.141 1.00 0.00 N ATOM 0 H HIS A 73 3.585 0.461 -6.867 1.00 0.00 H new ATOM 0 HA HIS A 73 4.474 0.131 -9.613 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.669 1.178 -7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.137 -0.487 -7.184 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.957 2.256 -8.496 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.731 -0.694 -11.446 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.474 1.550 -10.496 1.00 0.00 H new ATOM 1049 N ASP A 74 4.721 -2.324 -9.844 1.00 0.00 N ATOM 1050 CA ASP A 74 4.721 -3.770 -10.034 1.00 0.00 C ATOM 1051 C ASP A 74 6.118 -4.272 -10.388 1.00 0.00 C ATOM 1052 O ASP A 74 6.677 -3.902 -11.419 1.00 0.00 O ATOM 1053 CB ASP A 74 3.731 -4.162 -11.132 1.00 0.00 C ATOM 1054 CG ASP A 74 2.303 -4.225 -10.628 1.00 0.00 C ATOM 1055 OD1 ASP A 74 2.096 -4.688 -9.486 1.00 0.00 O ATOM 1056 OD2 ASP A 74 1.392 -3.810 -11.374 1.00 0.00 O ATOM 0 H ASP A 74 4.896 -1.787 -10.693 1.00 0.00 H new ATOM 0 HA ASP A 74 4.414 -4.235 -9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.794 -3.442 -11.948 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.012 -5.132 -11.541 1.00 0.00 H new ATOM 1061 N ASN A 75 6.674 -5.116 -9.526 1.00 0.00 N ATOM 1062 CA ASN A 75 8.007 -5.667 -9.747 1.00 0.00 C ATOM 1063 C ASN A 75 7.924 -7.107 -10.244 1.00 0.00 C ATOM 1064 O ASN A 75 8.735 -7.541 -11.062 1.00 0.00 O ATOM 1065 CB ASN A 75 8.827 -5.607 -8.457 1.00 0.00 C ATOM 1066 CG ASN A 75 8.768 -4.243 -7.797 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.047 -3.223 -8.428 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.403 -4.219 -6.520 1.00 0.00 N ATOM 0 H ASN A 75 6.223 -5.434 -8.668 1.00 0.00 H new ATOM 0 HA ASN A 75 8.500 -5.065 -10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.459 -6.361 -7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.865 -5.856 -8.678 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.345 -3.330 -6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.181 -5.089 -6.037 1.00 0.00 H new ATOM 1075 N LYS A 76 6.937 -7.843 -9.744 1.00 0.00 N ATOM 1076 CA LYS A 76 6.746 -9.234 -10.137 1.00 0.00 C ATOM 1077 C LYS A 76 7.969 -10.073 -9.783 1.00 0.00 C ATOM 1078 O LYS A 76 8.268 -11.064 -10.450 1.00 0.00 O ATOM 1079 CB LYS A 76 6.467 -9.327 -11.639 1.00 0.00 C ATOM 1080 CG LYS A 76 5.240 -8.549 -12.080 1.00 0.00 C ATOM 1081 CD LYS A 76 3.957 -9.241 -11.649 1.00 0.00 C ATOM 1082 CE LYS A 76 3.632 -10.424 -12.548 1.00 0.00 C ATOM 1083 NZ LYS A 76 3.068 -9.988 -13.855 1.00 0.00 N ATOM 0 H LYS A 76 6.257 -7.499 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 76 5.889 -9.626 -9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.336 -8.959 -12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.340 -10.375 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.273 -7.545 -11.657 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.248 -8.438 -13.164 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.055 -9.582 -10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.133 -8.528 -11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.536 -11.009 -12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.920 -11.078 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.750 -10.821 -14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.261 -9.353 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.799 -9.485 -14.398 1.00 0.00 H new ATOM 1097 N ASP A 77 8.672 -9.671 -8.730 1.00 0.00 N ATOM 1098 CA ASP A 77 9.862 -10.388 -8.286 1.00 0.00 C ATOM 1099 C ASP A 77 9.759 -10.747 -6.807 1.00 0.00 C ATOM 1100 O ASP A 77 10.764 -10.796 -6.098 1.00 0.00 O ATOM 1101 CB ASP A 77 11.113 -9.545 -8.533 1.00 0.00 C ATOM 1102 CG ASP A 77 12.371 -10.387 -8.620 1.00 0.00 C ATOM 1103 OD1 ASP A 77 12.510 -11.331 -7.814 1.00 0.00 O ATOM 1104 OD2 ASP A 77 13.216 -10.102 -9.493 1.00 0.00 O ATOM 0 H ASP A 77 8.439 -8.853 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 77 9.936 -11.311 -8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.991 -8.982 -9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.221 -8.817 -7.729 1.00 0.00 H new ATOM 1109 N GLY A 78 8.537 -10.997 -6.346 1.00 0.00 N ATOM 1110 CA GLY A 78 8.326 -11.347 -4.954 1.00 0.00 C ATOM 1111 C GLY A 78 8.299 -10.131 -4.048 1.00 0.00 C ATOM 1112 O GLY A 78 8.575 -10.232 -2.852 1.00 0.00 O ATOM 0 H GLY A 78 7.689 -10.963 -6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.385 -11.889 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.118 -12.022 -4.628 1.00 0.00 H new ATOM 1116 N THR A 79 7.968 -8.977 -4.619 1.00 0.00 N ATOM 1117 CA THR A 79 7.910 -7.736 -3.856 1.00 0.00 C ATOM 1118 C THR A 79 6.921 -6.756 -4.476 1.00 0.00 C ATOM 1119 O THR A 79 6.395 -6.994 -5.564 1.00 0.00 O ATOM 1120 CB THR A 79 9.293 -7.065 -3.768 1.00 0.00 C ATOM 1121 OG1 THR A 79 9.866 -6.949 -5.076 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.226 -7.864 -2.870 1.00 0.00 C ATOM 0 H THR A 79 7.736 -8.876 -5.607 1.00 0.00 H new ATOM 0 HA THR A 79 7.577 -7.998 -2.852 1.00 0.00 H new ATOM 0 HB THR A 79 9.163 -6.071 -3.339 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.745 -6.520 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.197 -7.371 -2.823 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.802 -7.926 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.349 -8.869 -3.275 1.00 0.00 H new ATOM 1130 N TYR A 80 6.672 -5.653 -3.779 1.00 0.00 N ATOM 1131 CA TYR A 80 5.744 -4.637 -4.261 1.00 0.00 C ATOM 1132 C TYR A 80 6.142 -3.253 -3.758 1.00 0.00 C ATOM 1133 O TYR A 80 6.561 -3.094 -2.611 1.00 0.00 O ATOM 1134 CB TYR A 80 4.319 -4.964 -3.812 1.00 0.00 C ATOM 1135 CG TYR A 80 3.806 -6.286 -4.339 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.270 -6.385 -5.617 1.00 0.00 C ATOM 1137 CD2 TYR A 80 3.858 -7.434 -3.559 1.00 0.00 C ATOM 1138 CE1 TYR A 80 2.800 -7.590 -6.102 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.392 -8.644 -4.037 1.00 0.00 C ATOM 1140 CZ TYR A 80 2.863 -8.716 -5.309 1.00 0.00 C ATOM 1141 OH TYR A 80 2.396 -9.919 -5.788 1.00 0.00 O ATOM 0 H TYR A 80 7.100 -5.440 -2.878 1.00 0.00 H new ATOM 0 HA TYR A 80 5.783 -4.633 -5.350 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.285 -4.979 -2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.652 -4.168 -4.141 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.220 -5.505 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.270 -7.380 -2.562 1.00 0.00 H new ATOM 0 HE1 TYR A 80 2.385 -7.650 -7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.442 -9.528 -3.418 1.00 0.00 H new ATOM 0 HH TYR A 80 2.515 -10.611 -5.105 1.00 0.00 H new ATOM 1151 N ALA A 81 6.008 -2.254 -4.624 1.00 0.00 N ATOM 1152 CA ALA A 81 6.351 -0.883 -4.269 1.00 0.00 C ATOM 1153 C ALA A 81 5.152 0.044 -4.436 1.00 0.00 C ATOM 1154 O ALA A 81 4.333 -0.140 -5.337 1.00 0.00 O ATOM 1155 CB ALA A 81 7.519 -0.395 -5.112 1.00 0.00 C ATOM 0 H ALA A 81 5.664 -2.369 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 81 6.645 -0.869 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.764 0.631 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.385 -1.034 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.247 -0.431 -6.167 1.00 0.00 H new ATOM 1161 N VAL A 82 5.053 1.041 -3.562 1.00 0.00 N ATOM 1162 CA VAL A 82 3.954 1.997 -3.614 1.00 0.00 C ATOM 1163 C VAL A 82 4.432 3.403 -3.272 1.00 0.00 C ATOM 1164 O VAL A 82 5.021 3.632 -2.215 1.00 0.00 O ATOM 1165 CB VAL A 82 2.821 1.603 -2.647 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.678 2.602 -2.728 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.331 0.194 -2.948 1.00 0.00 C ATOM 0 H VAL A 82 5.721 1.207 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 82 3.572 1.984 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 82 3.213 1.618 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.887 2.307 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.042 3.594 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.284 2.622 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.531 -0.069 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.956 0.150 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.155 -0.510 -2.834 1.00 0.00 H new ATOM 1177 N THR A 83 4.175 4.346 -4.174 1.00 0.00 N ATOM 1178 CA THR A 83 4.580 5.730 -3.970 1.00 0.00 C ATOM 1179 C THR A 83 3.385 6.604 -3.606 1.00 0.00 C ATOM 1180 O THR A 83 2.276 6.392 -4.098 1.00 0.00 O ATOM 1181 CB THR A 83 5.261 6.308 -5.225 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.290 5.420 -5.676 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.858 7.677 -4.935 1.00 0.00 C ATOM 0 H THR A 83 3.688 4.175 -5.054 1.00 0.00 H new ATOM 0 HA THR A 83 5.293 5.732 -3.146 1.00 0.00 H new ATOM 0 HB THR A 83 4.506 6.416 -6.004 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.166 5.834 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.333 8.065 -5.836 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.068 8.359 -4.619 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.601 7.590 -4.142 1.00 0.00 H new ATOM 1191 N TYR A 84 3.618 7.588 -2.744 1.00 0.00 N ATOM 1192 CA TYR A 84 2.559 8.493 -2.313 1.00 0.00 C ATOM 1193 C TYR A 84 3.119 9.880 -2.009 1.00 0.00 C ATOM 1194 O TYR A 84 4.188 10.012 -1.413 1.00 0.00 O ATOM 1195 CB TYR A 84 1.852 7.934 -1.078 1.00 0.00 C ATOM 1196 CG TYR A 84 2.589 8.202 0.215 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.442 9.412 0.883 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.432 7.247 0.768 1.00 0.00 C ATOM 1199 CE1 TYR A 84 3.114 9.662 2.064 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.107 7.487 1.950 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.945 8.696 2.593 1.00 0.00 C ATOM 1202 OH TYR A 84 4.616 8.941 3.769 1.00 0.00 O ATOM 0 H TYR A 84 4.531 7.779 -2.330 1.00 0.00 H new ATOM 0 HA TYR A 84 1.838 8.582 -3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.854 8.367 -1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.725 6.858 -1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.791 10.170 0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.562 6.300 0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.990 10.608 2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.757 6.732 2.367 1.00 0.00 H new ATOM 0 HH TYR A 84 4.752 8.098 4.250 1.00 0.00 H new ATOM 1212 N ILE A 85 2.387 10.909 -2.422 1.00 0.00 N ATOM 1213 CA ILE A 85 2.808 12.286 -2.193 1.00 0.00 C ATOM 1214 C ILE A 85 1.853 13.002 -1.245 1.00 0.00 C ATOM 1215 O ILE A 85 0.780 13.463 -1.636 1.00 0.00 O ATOM 1216 CB ILE A 85 2.893 13.076 -3.512 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.915 12.434 -4.452 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.256 14.527 -3.238 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.596 12.630 -5.917 1.00 0.00 C ATOM 0 H ILE A 85 1.500 10.816 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 85 3.799 12.242 -1.742 1.00 0.00 H new ATOM 0 HB ILE A 85 1.917 13.051 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.900 12.852 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.970 11.366 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.312 15.072 -4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.495 14.979 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.222 14.572 -2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.363 12.149 -6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.625 12.187 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.570 13.696 -6.144 1.00 0.00 H new ATOM 1231 N PRO A 86 2.250 13.100 0.033 1.00 0.00 N ATOM 1232 CA PRO A 86 1.444 13.762 1.064 1.00 0.00 C ATOM 1233 C PRO A 86 1.377 15.272 0.866 1.00 0.00 C ATOM 1234 O PRO A 86 2.247 16.008 1.332 1.00 0.00 O ATOM 1235 CB PRO A 86 2.183 13.425 2.361 1.00 0.00 C ATOM 1236 CG PRO A 86 3.591 13.180 1.943 1.00 0.00 C ATOM 1237 CD PRO A 86 3.516 12.574 0.569 1.00 0.00 C ATOM 0 HA PRO A 86 0.407 13.427 1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.120 14.245 3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.755 12.546 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.161 14.109 1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.093 12.508 2.639 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.366 12.868 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.513 11.485 0.610 1.00 0.00 H new ATOM 1245 N ASP A 87 0.339 15.728 0.173 1.00 0.00 N ATOM 1246 CA ASP A 87 0.157 17.151 -0.085 1.00 0.00 C ATOM 1247 C ASP A 87 0.217 17.951 1.212 1.00 0.00 C ATOM 1248 O ASP A 87 1.092 18.798 1.393 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.178 17.398 -0.789 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.203 18.715 -1.539 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -0.570 19.681 -1.063 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -1.855 18.780 -2.602 1.00 0.00 O ATOM 0 H ASP A 87 -0.389 15.132 -0.220 1.00 0.00 H new ATOM 0 HA ASP A 87 0.968 17.483 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.374 16.583 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.981 17.388 -0.052 1.00 0.00 H new ATOM 1257 N LYS A 88 -0.720 17.677 2.114 1.00 0.00 N ATOM 1258 CA LYS A 88 -0.774 18.370 3.396 1.00 0.00 C ATOM 1259 C LYS A 88 -0.069 17.563 4.481 1.00 0.00 C ATOM 1260 O LYS A 88 0.377 16.439 4.244 1.00 0.00 O ATOM 1261 CB LYS A 88 -2.228 18.625 3.799 1.00 0.00 C ATOM 1262 CG LYS A 88 -2.896 19.731 3.000 1.00 0.00 C ATOM 1263 CD LYS A 88 -2.505 21.105 3.515 1.00 0.00 C ATOM 1264 CE LYS A 88 -3.094 22.212 2.653 1.00 0.00 C ATOM 1265 NZ LYS A 88 -4.583 22.204 2.682 1.00 0.00 N ATOM 0 H LYS A 88 -1.452 16.980 1.981 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.260 19.325 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.797 17.704 3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.263 18.881 4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.617 19.642 1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.979 19.616 3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.849 21.221 4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.419 21.193 3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.729 23.178 3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.750 22.094 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.944 23.049 2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.935 21.351 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.911 22.205 3.669 1.00 0.00 H new ATOM 1279 N THR A 89 0.028 18.141 5.674 1.00 0.00 N ATOM 1280 CA THR A 89 0.678 17.476 6.796 1.00 0.00 C ATOM 1281 C THR A 89 -0.345 16.991 7.816 1.00 0.00 C ATOM 1282 O THR A 89 -1.514 17.372 7.767 1.00 0.00 O ATOM 1283 CB THR A 89 1.683 18.410 7.497 1.00 0.00 C ATOM 1284 OG1 THR A 89 1.030 19.620 7.897 1.00 0.00 O ATOM 1285 CG2 THR A 89 2.850 18.737 6.578 1.00 0.00 C ATOM 0 H THR A 89 -0.336 19.070 5.888 1.00 0.00 H new ATOM 0 HA THR A 89 1.214 16.619 6.388 1.00 0.00 H new ATOM 0 HB THR A 89 2.068 17.897 8.378 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.675 20.208 8.343 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.546 19.398 7.095 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.363 17.816 6.299 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.479 19.232 5.680 1.00 0.00 H new ATOM 1293 N GLY A 90 0.102 16.147 8.741 1.00 0.00 N ATOM 1294 CA GLY A 90 -0.788 15.624 9.761 1.00 0.00 C ATOM 1295 C GLY A 90 -0.638 14.127 9.949 1.00 0.00 C ATOM 1296 O GLY A 90 0.470 13.626 10.138 1.00 0.00 O ATOM 0 H GLY A 90 1.065 15.816 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.588 16.128 10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.819 15.852 9.491 1.00 0.00 H new ATOM 1300 N ARG A 91 -1.757 13.411 9.899 1.00 0.00 N ATOM 1301 CA ARG A 91 -1.746 11.963 10.068 1.00 0.00 C ATOM 1302 C ARG A 91 -2.246 11.264 8.807 1.00 0.00 C ATOM 1303 O ARG A 91 -3.128 11.770 8.113 1.00 0.00 O ATOM 1304 CB ARG A 91 -2.611 11.562 11.264 1.00 0.00 C ATOM 1305 CG ARG A 91 -4.101 11.741 11.026 1.00 0.00 C ATOM 1306 CD ARG A 91 -4.581 13.104 11.498 1.00 0.00 C ATOM 1307 NE ARG A 91 -4.609 13.200 12.955 1.00 0.00 N ATOM 1308 CZ ARG A 91 -5.622 12.772 13.701 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -6.684 12.222 13.129 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -5.573 12.894 15.021 1.00 0.00 N ATOM 0 H ARG A 91 -2.682 13.810 9.743 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.718 11.651 10.251 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.414 10.519 11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.316 12.155 12.130 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.317 11.626 9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.651 10.959 11.550 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.927 13.878 11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.579 13.294 11.103 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.807 13.619 13.426 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.725 12.127 12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.460 11.894 13.704 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.757 13.317 15.464 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.351 12.565 15.593 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.676 10.100 8.517 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.062 9.333 7.339 1.00 0.00 C ATOM 1326 C TYR A 92 -2.356 7.882 7.706 1.00 0.00 C ATOM 1327 O TYR A 92 -1.560 7.226 8.376 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.957 9.390 6.283 1.00 0.00 C ATOM 1329 CG TYR A 92 -0.989 10.644 5.439 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.802 10.728 4.315 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.207 11.745 5.765 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.834 11.871 3.541 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.234 12.893 4.997 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.049 12.951 3.886 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.078 14.093 3.118 1.00 0.00 O ATOM 0 H TYR A 92 -0.945 9.667 9.081 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.970 9.776 6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.011 9.321 6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.044 8.521 5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.419 9.885 4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.433 11.703 6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.471 11.919 2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.380 13.740 5.265 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.590 14.808 3.577 1.00 0.00 H new ATOM 1345 N MET A 93 -3.507 7.387 7.260 1.00 0.00 N ATOM 1346 CA MET A 93 -3.907 6.013 7.540 1.00 0.00 C ATOM 1347 C MET A 93 -3.817 5.154 6.282 1.00 0.00 C ATOM 1348 O MET A 93 -4.424 5.471 5.259 1.00 0.00 O ATOM 1349 CB MET A 93 -5.332 5.977 8.095 1.00 0.00 C ATOM 1350 CG MET A 93 -5.577 4.833 9.065 1.00 0.00 C ATOM 1351 SD MET A 93 -5.235 5.288 10.776 1.00 0.00 S ATOM 1352 CE MET A 93 -3.721 4.378 11.073 1.00 0.00 C ATOM 0 H MET A 93 -4.178 7.917 6.704 1.00 0.00 H new ATOM 0 HA MET A 93 -3.224 5.607 8.286 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.541 6.921 8.599 1.00 0.00 H new ATOM 0 HB3 MET A 93 -6.034 5.896 7.265 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.613 4.506 8.980 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.951 3.985 8.786 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.845 3.742 11.949 1.00 0.00 H new ATOM 0 HE2 MET A 93 -3.492 3.760 10.205 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.904 5.078 11.246 1.00 0.00 H new ATOM 1362 N ILE A 94 -3.056 4.068 6.366 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.888 3.165 5.234 1.00 0.00 C ATOM 1364 C ILE A 94 -3.311 1.745 5.597 1.00 0.00 C ATOM 1365 O ILE A 94 -2.829 1.173 6.573 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.428 3.144 4.743 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.954 4.563 4.423 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.294 2.246 3.522 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.551 4.704 4.391 1.00 0.00 C ATOM 0 H ILE A 94 -2.546 3.792 7.205 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.527 3.539 4.434 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.798 2.742 5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.360 4.864 3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.359 5.249 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.257 2.241 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.596 1.231 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.933 2.621 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.815 5.736 4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.962 4.435 5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.962 4.043 3.628 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.215 1.182 4.801 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.687 -0.167 5.054 1.00 0.00 C ATOM 1383 C GLY A 95 -4.288 -1.135 3.958 1.00 0.00 C ATOM 1384 O GLY A 95 -4.853 -1.114 2.864 1.00 0.00 O ATOM 0 H GLY A 95 -4.629 1.635 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.287 -0.516 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.773 -0.157 5.148 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.311 -1.988 4.250 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.836 -2.968 3.281 1.00 0.00 C ATOM 1390 C VAL A 96 -3.548 -4.304 3.457 1.00 0.00 C ATOM 1391 O VAL A 96 -3.621 -4.841 4.563 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.317 -3.189 3.404 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.846 -4.233 2.404 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.571 -1.877 3.209 1.00 0.00 C ATOM 0 H VAL A 96 -2.833 -2.020 5.150 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.058 -2.568 2.292 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.101 -3.558 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.230 -4.375 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.357 -5.177 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.073 -3.896 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.501 -2.051 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.792 -1.477 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.887 -1.162 3.969 1.00 0.00 H new ATOM 1404 N THR A 97 -4.073 -4.839 2.359 1.00 0.00 N ATOM 1405 CA THR A 97 -4.781 -6.112 2.391 1.00 0.00 C ATOM 1406 C THR A 97 -4.176 -7.102 1.402 1.00 0.00 C ATOM 1407 O THR A 97 -3.753 -6.723 0.310 1.00 0.00 O ATOM 1408 CB THR A 97 -6.277 -5.932 2.070 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.432 -5.176 0.865 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.994 -5.229 3.212 1.00 0.00 C ATOM 0 H THR A 97 -4.021 -4.409 1.435 1.00 0.00 H new ATOM 0 HA THR A 97 -4.679 -6.505 3.403 1.00 0.00 H new ATOM 0 HB THR A 97 -6.719 -6.919 1.938 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.048 -5.643 0.262 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.049 -5.113 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.899 -5.822 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.549 -4.247 3.372 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.139 -8.372 1.791 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.584 -9.417 0.939 1.00 0.00 C ATOM 1420 C TYR A 98 -4.541 -10.601 0.836 1.00 0.00 C ATOM 1421 O TYR A 98 -4.971 -11.155 1.847 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.233 -9.883 1.482 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.361 -10.551 0.443 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.491 -9.807 -0.345 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.405 -11.926 0.251 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.307 -10.413 -1.295 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.609 -12.541 -0.697 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.245 -11.780 -1.468 1.00 0.00 C ATOM 1429 OH TYR A 98 1.039 -12.387 -2.413 1.00 0.00 O ATOM 0 H TYR A 98 -4.487 -8.702 2.691 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.442 -9.001 -0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.701 -9.025 1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.402 -10.578 2.304 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.438 -8.737 -0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.073 -12.525 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.977 -9.819 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.655 -13.611 -0.833 1.00 0.00 H new ATOM 0 HH TYR A 98 1.420 -13.209 -2.041 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.868 -10.984 -0.394 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.770 -12.101 -0.608 1.00 0.00 C ATOM 1441 C GLY A 99 -7.067 -11.954 0.164 1.00 0.00 C ATOM 1442 O GLY A 99 -7.551 -12.913 0.764 1.00 0.00 O ATOM 0 H GLY A 99 -4.525 -10.541 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.991 -12.187 -1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.276 -13.026 -0.310 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.629 -10.750 0.150 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.871 -10.503 0.859 1.00 0.00 C ATOM 1448 C GLY A 100 -8.726 -10.670 2.359 1.00 0.00 C ATOM 1449 O GLY A 100 -9.665 -11.086 3.038 1.00 0.00 O ATOM 0 H GLY A 100 -7.247 -9.941 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.215 -9.492 0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.637 -11.187 0.493 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.545 -10.349 2.877 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.280 -10.466 4.306 1.00 0.00 C ATOM 1455 C ASP A 101 -6.288 -9.400 4.763 1.00 0.00 C ATOM 1456 O ASP A 101 -5.141 -9.373 4.317 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.737 -11.858 4.632 1.00 0.00 C ATOM 1458 CG ASP A 101 -7.842 -12.863 4.892 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.319 -13.485 3.920 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.231 -13.028 6.068 1.00 0.00 O ATOM 0 H ASP A 101 -6.756 -10.006 2.329 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.219 -10.316 4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.119 -12.207 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.091 -11.797 5.508 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.739 -8.525 5.655 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.892 -7.457 6.173 1.00 0.00 C ATOM 1467 C ASP A 102 -4.935 -7.989 7.234 1.00 0.00 C ATOM 1468 O ASP A 102 -5.303 -8.838 8.046 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.751 -6.335 6.760 1.00 0.00 C ATOM 1470 CG ASP A 102 -8.016 -6.856 7.413 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -8.004 -8.008 7.895 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -9.019 -6.112 7.441 1.00 0.00 O ATOM 0 H ASP A 102 -7.686 -8.534 6.034 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.304 -7.059 5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.167 -5.781 7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.016 -5.633 5.970 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.705 -7.486 7.221 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.695 -7.911 8.182 1.00 0.00 C ATOM 1479 C ILE A 103 -3.003 -7.375 9.576 1.00 0.00 C ATOM 1480 O ILE A 103 -3.676 -6.358 9.742 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.288 -7.444 7.763 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.319 -5.973 7.344 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.757 -8.312 6.633 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.055 -5.354 7.210 1.00 0.00 C ATOM 0 H ILE A 103 -3.384 -6.783 6.555 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.716 -9.001 8.202 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.618 -7.544 8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.842 -5.886 6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.894 -5.407 8.077 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.238 -7.970 6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.703 -9.349 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.425 -8.241 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.044 -4.311 6.910 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.574 -5.409 8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.626 -5.896 6.456 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.497 -8.074 10.603 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.703 -7.686 12.002 1.00 0.00 C ATOM 1498 C PRO A 104 -1.946 -6.414 12.367 1.00 0.00 C ATOM 1499 O PRO A 104 -1.962 -5.979 13.520 1.00 0.00 O ATOM 1500 CB PRO A 104 -2.152 -8.880 12.785 1.00 0.00 C ATOM 1501 CG PRO A 104 -1.158 -9.508 11.870 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.686 -9.296 10.478 1.00 0.00 C ATOM 0 HA PRO A 104 -3.749 -7.465 12.215 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.686 -8.561 13.717 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.945 -9.580 13.049 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -0.175 -9.051 11.989 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -1.044 -10.570 12.087 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.878 -9.170 9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.284 -10.143 10.142 1.00 0.00 H new ATOM 1510 N LEU A 105 -1.284 -5.820 11.381 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.521 -4.596 11.599 1.00 0.00 C ATOM 1512 C LEU A 105 -1.263 -3.386 11.042 1.00 0.00 C ATOM 1513 O LEU A 105 -1.046 -2.256 11.482 1.00 0.00 O ATOM 1514 CB LEU A 105 0.858 -4.708 10.946 1.00 0.00 C ATOM 1515 CG LEU A 105 1.723 -5.884 11.401 1.00 0.00 C ATOM 1516 CD1 LEU A 105 2.966 -6.001 10.533 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.106 -5.729 12.866 1.00 0.00 C ATOM 0 H LEU A 105 -1.260 -6.166 10.422 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.397 -4.461 12.673 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.722 -4.779 9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.405 -3.785 11.138 1.00 0.00 H new ATOM 0 HG LEU A 105 1.142 -6.800 11.292 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.569 -6.843 10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.672 -6.160 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.550 -5.084 10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.721 -6.575 13.173 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.668 -4.804 12.999 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.204 -5.697 13.477 1.00 0.00 H new ATOM 1529 N SER A 106 -2.140 -3.629 10.073 1.00 0.00 N ATOM 1530 CA SER A 106 -2.913 -2.559 9.455 1.00 0.00 C ATOM 1531 C SER A 106 -4.145 -2.226 10.291 1.00 0.00 C ATOM 1532 O SER A 106 -4.669 -3.060 11.030 1.00 0.00 O ATOM 1533 CB SER A 106 -3.336 -2.958 8.040 1.00 0.00 C ATOM 1534 OG SER A 106 -4.574 -3.647 8.053 1.00 0.00 O ATOM 0 H SER A 106 -2.333 -4.558 9.699 1.00 0.00 H new ATOM 0 HA SER A 106 -2.281 -1.673 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.418 -2.067 7.417 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.569 -3.590 7.592 1.00 0.00 H new ATOM 0 HG SER A 106 -4.463 -4.511 8.502 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.620 -0.977 10.173 1.00 0.00 N ATOM 1541 CA PRO A 107 -4.004 0.024 9.298 1.00 0.00 C ATOM 1542 C PRO A 107 -2.644 0.484 9.811 1.00 0.00 C ATOM 1543 O PRO A 107 -2.179 0.034 10.858 1.00 0.00 O ATOM 1544 CB PRO A 107 -5.005 1.182 9.324 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.724 1.032 10.620 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.794 -0.446 10.886 1.00 0.00 C ATOM 0 HA PRO A 107 -3.813 -0.370 8.300 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.498 2.145 9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.694 1.129 8.481 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -5.195 1.548 11.421 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.722 1.466 10.565 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.749 -0.665 11.953 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.722 -0.878 10.511 1.00 0.00 H new ATOM 1554 N TYR A 108 -2.010 1.385 9.067 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.702 1.905 9.446 1.00 0.00 C ATOM 1556 C TYR A 108 -0.800 3.364 9.880 1.00 0.00 C ATOM 1557 O TYR A 108 -1.509 4.160 9.263 1.00 0.00 O ATOM 1558 CB TYR A 108 0.280 1.773 8.280 1.00 0.00 C ATOM 1559 CG TYR A 108 0.772 0.360 8.060 1.00 0.00 C ATOM 1560 CD1 TYR A 108 -0.072 -0.620 7.552 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.082 0.006 8.359 1.00 0.00 C ATOM 1562 CE1 TYR A 108 0.373 -1.912 7.350 1.00 0.00 C ATOM 1563 CE2 TYR A 108 2.537 -1.283 8.158 1.00 0.00 C ATOM 1564 CZ TYR A 108 1.678 -2.238 7.655 1.00 0.00 C ATOM 1565 OH TYR A 108 2.126 -3.524 7.454 1.00 0.00 O ATOM 0 H TYR A 108 -2.381 1.770 8.198 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.337 1.318 10.289 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.201 2.127 7.369 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.136 2.423 8.462 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.094 -0.367 7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.756 0.751 8.755 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.297 -2.662 6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 108 3.559 -1.541 8.393 1.00 0.00 H new ATOM 0 HH TYR A 108 3.068 -3.587 7.718 1.00 0.00 H new ATOM 1575 N ARG A 109 -0.084 3.707 10.945 1.00 0.00 N ATOM 1576 CA ARG A 109 -0.090 5.070 11.463 1.00 0.00 C ATOM 1577 C ARG A 109 1.172 5.817 11.042 1.00 0.00 C ATOM 1578 O ARG A 109 2.287 5.337 11.248 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.204 5.058 12.989 1.00 0.00 C ATOM 1580 CG ARG A 109 0.970 4.386 13.682 1.00 0.00 C ATOM 1581 CD ARG A 109 0.870 4.511 15.194 1.00 0.00 C ATOM 1582 NE ARG A 109 0.144 3.392 15.789 1.00 0.00 N ATOM 1583 CZ ARG A 109 -0.437 3.445 16.982 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -0.378 4.555 17.704 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -1.080 2.385 17.456 1.00 0.00 N ATOM 0 H ARG A 109 0.508 3.060 11.466 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.954 5.587 11.045 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.287 6.084 13.347 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.124 4.546 13.272 1.00 0.00 H new ATOM 0 HG2 ARG A 109 1.003 3.332 13.404 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.902 4.836 13.339 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.872 4.561 15.621 1.00 0.00 H new ATOM 0 HD3 ARG A 109 0.368 5.445 15.448 1.00 0.00 H new ATOM 0 HE ARG A 109 0.080 2.523 15.259 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.115 5.372 17.344 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -0.825 4.592 18.620 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.128 1.529 16.904 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -1.526 2.427 18.372 1.00 0.00 H new ATOM 1599 N ILE A 110 0.988 6.994 10.453 1.00 0.00 N ATOM 1600 CA ILE A 110 2.112 7.807 10.004 1.00 0.00 C ATOM 1601 C ILE A 110 1.815 9.293 10.169 1.00 0.00 C ATOM 1602 O ILE A 110 0.667 9.723 10.061 1.00 0.00 O ATOM 1603 CB ILE A 110 2.458 7.524 8.530 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.492 6.017 8.272 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.792 8.159 8.169 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.845 5.656 6.846 1.00 0.00 C ATOM 0 H ILE A 110 0.072 7.406 10.276 1.00 0.00 H new ATOM 0 HA ILE A 110 2.965 7.538 10.627 1.00 0.00 H new ATOM 0 HB ILE A 110 1.685 7.964 7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.216 5.558 8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.518 5.593 8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.023 7.951 7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.735 9.237 8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.576 7.745 8.804 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.850 4.572 6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.107 6.086 6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.832 6.050 6.605 1.00 0.00 H new ATOM 1618 N ARG A 111 2.858 10.074 10.431 1.00 0.00 N ATOM 1619 CA ARG A 111 2.710 11.513 10.610 1.00 0.00 C ATOM 1620 C ARG A 111 3.603 12.277 9.637 1.00 0.00 C ATOM 1621 O ARG A 111 4.829 12.207 9.719 1.00 0.00 O ATOM 1622 CB ARG A 111 3.050 11.907 12.049 1.00 0.00 C ATOM 1623 CG ARG A 111 2.130 11.284 13.085 1.00 0.00 C ATOM 1624 CD ARG A 111 2.826 11.130 14.428 1.00 0.00 C ATOM 1625 NE ARG A 111 2.022 10.364 15.377 1.00 0.00 N ATOM 1626 CZ ARG A 111 1.830 9.053 15.286 1.00 0.00 C ATOM 1627 NH1 ARG A 111 2.382 8.365 14.296 1.00 0.00 N ATOM 1628 NH2 ARG A 111 1.085 8.426 16.188 1.00 0.00 N ATOM 0 H ARG A 111 3.815 9.734 10.524 1.00 0.00 H new ATOM 0 HA ARG A 111 1.672 11.775 10.405 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.077 11.613 12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.004 12.992 12.140 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.241 11.904 13.204 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.794 10.308 12.734 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.786 10.635 14.284 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.035 12.116 14.843 1.00 0.00 H new ATOM 0 HE ARG A 111 1.584 10.863 16.151 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.956 8.843 13.601 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.232 7.358 14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.659 8.951 16.952 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.938 7.419 16.117 1.00 0.00 H new ATOM 1642 N ALA A 112 2.980 13.006 8.718 1.00 0.00 N ATOM 1643 CA ALA A 112 3.718 13.784 7.730 1.00 0.00 C ATOM 1644 C ALA A 112 4.234 15.087 8.332 1.00 0.00 C ATOM 1645 O ALA A 112 3.463 16.010 8.596 1.00 0.00 O ATOM 1646 CB ALA A 112 2.840 14.071 6.521 1.00 0.00 C ATOM 0 H ALA A 112 1.966 13.075 8.637 1.00 0.00 H new ATOM 0 HA ALA A 112 4.578 13.196 7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.404 14.652 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.524 13.131 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.962 14.636 6.835 1.00 0.00 H new ATOM 1652 N THR A 113 5.544 15.155 8.549 1.00 0.00 N ATOM 1653 CA THR A 113 6.163 16.344 9.122 1.00 0.00 C ATOM 1654 C THR A 113 6.898 17.149 8.056 1.00 0.00 C ATOM 1655 O THR A 113 7.439 16.586 7.104 1.00 0.00 O ATOM 1656 CB THR A 113 7.153 15.976 10.244 1.00 0.00 C ATOM 1657 OG1 THR A 113 7.722 17.165 10.803 1.00 0.00 O ATOM 1658 CG2 THR A 113 8.260 15.077 9.716 1.00 0.00 C ATOM 0 H THR A 113 6.197 14.401 8.337 1.00 0.00 H new ATOM 0 HA THR A 113 5.359 16.949 9.540 1.00 0.00 H new ATOM 0 HB THR A 113 6.607 15.436 11.018 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.631 17.287 10.457 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.946 14.831 10.526 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.825 14.160 9.317 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.803 15.595 8.925 1.00 0.00 H new ATOM 1666 N GLN A 114 6.913 18.467 8.222 1.00 0.00 N ATOM 1667 CA GLN A 114 7.581 19.349 7.273 1.00 0.00 C ATOM 1668 C GLN A 114 8.792 20.020 7.913 1.00 0.00 C ATOM 1669 O GLN A 114 9.841 20.164 7.284 1.00 0.00 O ATOM 1670 CB GLN A 114 6.608 20.411 6.758 1.00 0.00 C ATOM 1671 CG GLN A 114 6.912 20.881 5.345 1.00 0.00 C ATOM 1672 CD GLN A 114 7.856 22.067 5.314 1.00 0.00 C ATOM 1673 OE1 GLN A 114 9.071 21.906 5.192 1.00 0.00 O ATOM 1674 NE2 GLN A 114 7.301 23.268 5.425 1.00 0.00 N ATOM 0 H GLN A 114 6.470 18.948 9.005 1.00 0.00 H new ATOM 0 HA GLN A 114 7.924 18.744 6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.595 20.009 6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.631 21.269 7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.349 20.059 4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.980 21.150 4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 114 6.290 23.355 5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 114 7.886 24.103 5.411 1.00 0.00 H new ATOM 1683 N THR A 115 8.641 20.430 9.169 1.00 0.00 N ATOM 1684 CA THR A 115 9.721 21.087 9.894 1.00 0.00 C ATOM 1685 C THR A 115 10.339 22.206 9.065 1.00 0.00 C ATOM 1686 O THR A 115 11.555 22.264 8.889 1.00 0.00 O ATOM 1687 CB THR A 115 10.824 20.086 10.287 1.00 0.00 C ATOM 1688 OG1 THR A 115 10.235 18.864 10.748 1.00 0.00 O ATOM 1689 CG2 THR A 115 11.718 20.665 11.373 1.00 0.00 C ATOM 0 H THR A 115 7.780 20.318 9.705 1.00 0.00 H new ATOM 0 HA THR A 115 9.283 21.508 10.799 1.00 0.00 H new ATOM 0 HB THR A 115 11.433 19.886 9.406 1.00 0.00 H new ATOM 0 HG1 THR A 115 10.943 18.232 10.994 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.489 19.940 11.634 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.187 21.579 11.009 1.00 0.00 H new ATOM 0 HG23 THR A 115 11.119 20.891 12.255 1.00 0.00 H new ATOM 1697 N GLY A 116 9.492 23.096 8.555 1.00 0.00 N ATOM 1698 CA GLY A 116 9.974 24.203 7.750 1.00 0.00 C ATOM 1699 C GLY A 116 9.321 25.519 8.123 1.00 0.00 C ATOM 1700 O GLY A 116 9.500 26.016 9.235 1.00 0.00 O ATOM 0 H GLY A 116 8.481 23.070 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 116 11.054 24.291 7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.784 23.992 6.697 1.00 0.00 H new ATOM 1704 N ASP A 117 8.562 26.085 7.191 1.00 0.00 N ATOM 1705 CA ASP A 117 7.880 27.353 7.427 1.00 0.00 C ATOM 1706 C ASP A 117 6.369 27.153 7.486 1.00 0.00 C ATOM 1707 O ASP A 117 5.868 26.053 7.257 1.00 0.00 O ATOM 1708 CB ASP A 117 8.232 28.358 6.330 1.00 0.00 C ATOM 1709 CG ASP A 117 9.702 28.728 6.334 1.00 0.00 C ATOM 1710 OD1 ASP A 117 10.543 27.815 6.465 1.00 0.00 O ATOM 1711 OD2 ASP A 117 10.012 29.932 6.208 1.00 0.00 O ATOM 0 H ASP A 117 8.403 25.686 6.266 1.00 0.00 H new ATOM 0 HA ASP A 117 8.215 27.745 8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 117 7.969 27.939 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 117 7.633 29.259 6.461 1.00 0.00 H new ATOM 1716 N ALA A 118 5.647 28.226 7.795 1.00 0.00 N ATOM 1717 CA ALA A 118 4.193 28.169 7.883 1.00 0.00 C ATOM 1718 C ALA A 118 3.584 29.565 7.810 1.00 0.00 C ATOM 1719 O ALA A 118 4.267 30.563 8.039 1.00 0.00 O ATOM 1720 CB ALA A 118 3.769 27.472 9.167 1.00 0.00 C ATOM 0 H ALA A 118 6.046 29.145 7.988 1.00 0.00 H new ATOM 0 HA ALA A 118 3.824 27.595 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.681 27.437 9.220 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.166 26.457 9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.156 28.022 10.025 1.00 0.00 H new ATOM 1726 N SER A 119 2.295 29.627 7.490 1.00 0.00 N ATOM 1727 CA SER A 119 1.595 30.902 7.382 1.00 0.00 C ATOM 1728 C SER A 119 0.448 30.978 8.385 1.00 0.00 C ATOM 1729 O SER A 119 -0.487 30.181 8.336 1.00 0.00 O ATOM 1730 CB SER A 119 1.059 31.095 5.962 1.00 0.00 C ATOM 1731 OG SER A 119 0.743 32.454 5.717 1.00 0.00 O ATOM 0 H SER A 119 1.715 28.810 7.301 1.00 0.00 H new ATOM 0 HA SER A 119 2.305 31.698 7.606 1.00 0.00 H new ATOM 0 HB2 SER A 119 1.802 30.755 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.170 30.480 5.819 1.00 0.00 H new ATOM 0 HG SER A 119 0.404 32.551 4.803 1.00 0.00 H new TER 1737 SER A 119