USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 781 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 12 TYR OH : rot 0:sc= -2.93! USER MOD Set 1.2: A 93 LYS NZ :NH3+ -131:sc= 0.0286 (180deg=-0.0595) USER MOD Set 2.1: A 34 TYR OH : rot 130:sc= 0 USER MOD Set 2.2: A 74 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 0.0294 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -163:sc= -0.329 (180deg=-1.34) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -0.452 (180deg=-1.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.298 USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= 0.00583 (180deg=-0.00754) USER MOD Single : A 36 MET CE :methyl 141:sc= -5.43! (180deg=-9.56!) USER MOD Single : A 39 TYR OH : rot -140:sc= 0.315 USER MOD Single : A 52 ASN : amide:sc= -6.39! C(o=-6.4!,f=-8.2!) USER MOD Single : A 55 MET CE :methyl -175:sc= -1.95 (180deg=-2.08!) USER MOD Single : A 60 GLN : amide:sc= -3.76! C(o=-3.8!,f=-3.8!) USER MOD Single : A 65 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -57:sc= 0.565 USER MOD Single : A 72 MET CE :methyl -163:sc= -0.816 (180deg=-2.07) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00848 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.788 -29.482 -9.303 1.00 0.00 N ATOM 2 CA GLY A 1 17.845 -28.827 -8.009 1.00 0.00 C ATOM 3 C GLY A 1 17.697 -27.322 -8.115 1.00 0.00 C ATOM 4 O GLY A 1 18.472 -26.572 -7.521 1.00 0.00 O ATOM 0 H1 GLY A 1 17.894 -30.509 -9.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.873 -29.281 -9.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.557 -29.126 -9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.056 -29.223 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.794 -29.063 -7.527 1.00 0.00 H new ATOM 8 N SER A 2 16.700 -26.879 -8.874 1.00 0.00 N ATOM 9 CA SER A 2 16.456 -25.453 -9.060 1.00 0.00 C ATOM 10 C SER A 2 15.241 -25.001 -8.256 1.00 0.00 C ATOM 11 O SER A 2 14.416 -25.816 -7.845 1.00 0.00 O ATOM 12 CB SER A 2 16.246 -25.139 -10.542 1.00 0.00 C ATOM 13 OG SER A 2 17.486 -24.981 -11.211 1.00 0.00 O ATOM 0 H SER A 2 16.048 -27.487 -9.370 1.00 0.00 H new ATOM 0 HA SER A 2 17.330 -24.910 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.677 -25.942 -11.010 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.656 -24.228 -10.644 1.00 0.00 H new ATOM 0 HG SER A 2 17.324 -24.783 -12.157 1.00 0.00 H new ATOM 19 N SER A 3 15.139 -23.694 -8.035 1.00 0.00 N ATOM 20 CA SER A 3 14.027 -23.131 -7.276 1.00 0.00 C ATOM 21 C SER A 3 13.734 -21.702 -7.722 1.00 0.00 C ATOM 22 O SER A 3 14.647 -20.907 -7.938 1.00 0.00 O ATOM 23 CB SER A 3 14.339 -23.156 -5.779 1.00 0.00 C ATOM 24 OG SER A 3 14.424 -24.487 -5.298 1.00 0.00 O ATOM 0 H SER A 3 15.812 -23.005 -8.370 1.00 0.00 H new ATOM 0 HA SER A 3 13.144 -23.741 -7.466 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.279 -22.637 -5.592 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.564 -22.618 -5.234 1.00 0.00 H new ATOM 0 HG SER A 3 14.626 -24.476 -4.339 1.00 0.00 H new ATOM 30 N GLY A 4 12.450 -21.383 -7.858 1.00 0.00 N ATOM 31 CA GLY A 4 12.057 -20.051 -8.278 1.00 0.00 C ATOM 32 C GLY A 4 10.714 -20.036 -8.981 1.00 0.00 C ATOM 33 O GLY A 4 10.447 -20.876 -9.841 1.00 0.00 O ATOM 0 H GLY A 4 11.675 -22.024 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.015 -19.397 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.817 -19.645 -8.945 1.00 0.00 H new ATOM 37 N SER A 5 9.866 -19.081 -8.614 1.00 0.00 N ATOM 38 CA SER A 5 8.541 -18.965 -9.211 1.00 0.00 C ATOM 39 C SER A 5 8.634 -18.439 -10.641 1.00 0.00 C ATOM 40 O SER A 5 9.698 -18.011 -11.088 1.00 0.00 O ATOM 41 CB SER A 5 7.659 -18.038 -8.372 1.00 0.00 C ATOM 42 OG SER A 5 7.615 -18.464 -7.021 1.00 0.00 O ATOM 0 H SER A 5 10.073 -18.376 -7.906 1.00 0.00 H new ATOM 0 HA SER A 5 8.092 -19.958 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.044 -17.019 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.650 -18.019 -8.784 1.00 0.00 H new ATOM 0 HG SER A 5 7.047 -17.855 -6.504 1.00 0.00 H new ATOM 48 N SER A 6 7.512 -18.475 -11.352 1.00 0.00 N ATOM 49 CA SER A 6 7.466 -18.006 -12.732 1.00 0.00 C ATOM 50 C SER A 6 6.906 -16.589 -12.806 1.00 0.00 C ATOM 51 O SER A 6 5.885 -16.280 -12.193 1.00 0.00 O ATOM 52 CB SER A 6 6.615 -18.948 -13.585 1.00 0.00 C ATOM 53 OG SER A 6 5.285 -19.014 -13.100 1.00 0.00 O ATOM 0 H SER A 6 6.622 -18.824 -10.995 1.00 0.00 H new ATOM 0 HA SER A 6 8.484 -17.996 -13.120 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.612 -18.604 -14.619 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.056 -19.945 -13.582 1.00 0.00 H new ATOM 0 HG SER A 6 5.034 -18.148 -12.715 1.00 0.00 H new ATOM 59 N GLY A 7 7.583 -15.730 -13.562 1.00 0.00 N ATOM 60 CA GLY A 7 7.139 -14.356 -13.704 1.00 0.00 C ATOM 61 C GLY A 7 8.036 -13.379 -12.970 1.00 0.00 C ATOM 62 O GLY A 7 7.799 -13.065 -11.804 1.00 0.00 O ATOM 0 H GLY A 7 8.431 -15.962 -14.079 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.110 -14.094 -14.762 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.121 -14.265 -13.325 1.00 0.00 H new ATOM 66 N GLN A 8 9.070 -12.899 -13.654 1.00 0.00 N ATOM 67 CA GLN A 8 10.007 -11.953 -13.057 1.00 0.00 C ATOM 68 C GLN A 8 9.440 -10.538 -13.080 1.00 0.00 C ATOM 69 O GLN A 8 9.745 -9.751 -13.976 1.00 0.00 O ATOM 70 CB GLN A 8 11.344 -11.992 -13.799 1.00 0.00 C ATOM 71 CG GLN A 8 12.204 -13.193 -13.442 1.00 0.00 C ATOM 72 CD GLN A 8 13.680 -12.948 -13.684 1.00 0.00 C ATOM 73 OE1 GLN A 8 14.278 -12.051 -13.088 1.00 0.00 O ATOM 74 NE2 GLN A 8 14.277 -13.745 -14.563 1.00 0.00 N ATOM 0 H GLN A 8 9.280 -13.149 -14.620 1.00 0.00 H new ATOM 0 HA GLN A 8 10.167 -12.243 -12.019 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.154 -11.998 -14.872 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.899 -11.080 -13.579 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.049 -13.447 -12.393 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.882 -14.053 -14.029 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.743 -14.476 -15.034 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.269 -13.627 -14.767 1.00 0.00 H new ATOM 83 N ASP A 9 8.614 -10.221 -12.089 1.00 0.00 N ATOM 84 CA ASP A 9 8.005 -8.899 -11.994 1.00 0.00 C ATOM 85 C ASP A 9 9.029 -7.859 -11.552 1.00 0.00 C ATOM 86 O ASP A 9 10.181 -8.188 -11.270 1.00 0.00 O ATOM 87 CB ASP A 9 6.830 -8.925 -11.015 1.00 0.00 C ATOM 88 CG ASP A 9 6.132 -10.270 -10.983 1.00 0.00 C ATOM 89 OD1 ASP A 9 6.678 -11.208 -10.365 1.00 0.00 O ATOM 90 OD2 ASP A 9 5.039 -10.385 -11.576 1.00 0.00 O ATOM 0 H ASP A 9 8.351 -10.861 -11.340 1.00 0.00 H new ATOM 0 HA ASP A 9 7.638 -8.623 -12.983 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.189 -8.681 -10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.112 -8.153 -11.293 1.00 0.00 H new ATOM 95 N PHE A 10 8.601 -6.602 -11.495 1.00 0.00 N ATOM 96 CA PHE A 10 9.482 -5.513 -11.090 1.00 0.00 C ATOM 97 C PHE A 10 9.981 -5.719 -9.662 1.00 0.00 C ATOM 98 O PHE A 10 9.668 -6.724 -9.023 1.00 0.00 O ATOM 99 CB PHE A 10 8.753 -4.172 -11.198 1.00 0.00 C ATOM 100 CG PHE A 10 7.980 -4.012 -12.476 1.00 0.00 C ATOM 101 CD1 PHE A 10 6.709 -4.548 -12.604 1.00 0.00 C ATOM 102 CD2 PHE A 10 8.525 -3.325 -13.549 1.00 0.00 C ATOM 103 CE1 PHE A 10 5.995 -4.403 -13.779 1.00 0.00 C ATOM 104 CE2 PHE A 10 7.815 -3.176 -14.726 1.00 0.00 C ATOM 105 CZ PHE A 10 6.549 -3.716 -14.841 1.00 0.00 C ATOM 0 H PHE A 10 7.650 -6.313 -11.724 1.00 0.00 H new ATOM 0 HA PHE A 10 10.342 -5.507 -11.760 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.070 -4.069 -10.354 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.481 -3.364 -11.119 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.271 -5.085 -11.776 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.515 -2.901 -13.465 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.005 -4.826 -13.866 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.250 -2.638 -15.555 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.993 -3.601 -15.760 1.00 0.00 H new ATOM 115 N ASP A 11 10.758 -4.761 -9.170 1.00 0.00 N ATOM 116 CA ASP A 11 11.300 -4.836 -7.818 1.00 0.00 C ATOM 117 C ASP A 11 10.187 -4.739 -6.780 1.00 0.00 C ATOM 118 O ASP A 11 9.477 -3.736 -6.709 1.00 0.00 O ATOM 119 CB ASP A 11 12.323 -3.722 -7.593 1.00 0.00 C ATOM 120 CG ASP A 11 13.228 -3.997 -6.408 1.00 0.00 C ATOM 121 OD1 ASP A 11 14.256 -4.681 -6.593 1.00 0.00 O ATOM 122 OD2 ASP A 11 12.908 -3.528 -5.296 1.00 0.00 O ATOM 0 H ASP A 11 11.027 -3.924 -9.687 1.00 0.00 H new ATOM 0 HA ASP A 11 11.795 -5.801 -7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.930 -3.604 -8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.800 -2.779 -7.436 1.00 0.00 H new ATOM 127 N TYR A 12 10.040 -5.787 -5.977 1.00 0.00 N ATOM 128 CA TYR A 12 9.011 -5.821 -4.945 1.00 0.00 C ATOM 129 C TYR A 12 9.521 -5.203 -3.647 1.00 0.00 C ATOM 130 O TYR A 12 10.000 -5.906 -2.757 1.00 0.00 O ATOM 131 CB TYR A 12 8.559 -7.261 -4.694 1.00 0.00 C ATOM 132 CG TYR A 12 7.654 -7.808 -5.774 1.00 0.00 C ATOM 133 CD1 TYR A 12 6.530 -7.104 -6.190 1.00 0.00 C ATOM 134 CD2 TYR A 12 7.922 -9.030 -6.379 1.00 0.00 C ATOM 135 CE1 TYR A 12 5.700 -7.601 -7.176 1.00 0.00 C ATOM 136 CE2 TYR A 12 7.098 -9.534 -7.367 1.00 0.00 C ATOM 137 CZ TYR A 12 5.989 -8.815 -7.762 1.00 0.00 C ATOM 138 OH TYR A 12 5.165 -9.314 -8.745 1.00 0.00 O ATOM 0 H TYR A 12 10.621 -6.624 -6.021 1.00 0.00 H new ATOM 0 HA TYR A 12 8.161 -5.236 -5.295 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.438 -7.900 -4.611 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.039 -7.308 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.302 -6.152 -5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.789 -9.595 -6.072 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.830 -7.042 -7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.321 -10.485 -7.827 1.00 0.00 H new ATOM 0 HH TYR A 12 4.428 -8.687 -8.904 1.00 0.00 H new ATOM 148 N PHE A 13 9.413 -3.882 -3.546 1.00 0.00 N ATOM 149 CA PHE A 13 9.863 -3.167 -2.358 1.00 0.00 C ATOM 150 C PHE A 13 8.675 -2.655 -1.549 1.00 0.00 C ATOM 151 O PHE A 13 7.604 -2.387 -2.096 1.00 0.00 O ATOM 152 CB PHE A 13 10.767 -1.997 -2.752 1.00 0.00 C ATOM 153 CG PHE A 13 10.033 -0.870 -3.420 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.188 -0.048 -2.691 1.00 0.00 C ATOM 155 CD2 PHE A 13 10.187 -0.632 -4.776 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.510 0.989 -3.304 1.00 0.00 C ATOM 157 CE2 PHE A 13 9.513 0.404 -5.394 1.00 0.00 C ATOM 158 CZ PHE A 13 8.674 1.216 -4.656 1.00 0.00 C ATOM 0 H PHE A 13 9.018 -3.285 -4.273 1.00 0.00 H new ATOM 0 HA PHE A 13 10.430 -3.863 -1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.265 -1.617 -1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.546 -2.360 -3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.058 -0.220 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.842 -1.264 -5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.852 1.621 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.642 0.578 -6.452 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.147 2.027 -5.136 1.00 0.00 H new ATOM 168 N THR A 14 8.870 -2.522 -0.241 1.00 0.00 N ATOM 169 CA THR A 14 7.816 -2.044 0.645 1.00 0.00 C ATOM 170 C THR A 14 7.911 -0.536 0.850 1.00 0.00 C ATOM 171 O THR A 14 8.965 0.064 0.640 1.00 0.00 O ATOM 172 CB THR A 14 7.876 -2.742 2.017 1.00 0.00 C ATOM 173 OG1 THR A 14 9.178 -2.584 2.591 1.00 0.00 O ATOM 174 CG2 THR A 14 7.550 -4.222 1.886 1.00 0.00 C ATOM 0 H THR A 14 9.749 -2.739 0.229 1.00 0.00 H new ATOM 0 HA THR A 14 6.867 -2.283 0.165 1.00 0.00 H new ATOM 0 HB THR A 14 7.134 -2.279 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.207 -3.029 3.464 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.599 -4.694 2.868 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.547 -4.339 1.477 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.271 -4.696 1.220 1.00 0.00 H new ATOM 182 N VAL A 15 6.803 0.071 1.262 1.00 0.00 N ATOM 183 CA VAL A 15 6.761 1.509 1.497 1.00 0.00 C ATOM 184 C VAL A 15 6.462 1.819 2.960 1.00 0.00 C ATOM 185 O VAL A 15 5.683 1.118 3.607 1.00 0.00 O ATOM 186 CB VAL A 15 5.702 2.193 0.612 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.632 3.682 0.916 1.00 0.00 C ATOM 188 CG2 VAL A 15 6.004 1.954 -0.859 1.00 0.00 C ATOM 0 H VAL A 15 5.922 -0.411 1.440 1.00 0.00 H new ATOM 0 HA VAL A 15 7.745 1.900 1.240 1.00 0.00 H new ATOM 0 HB VAL A 15 4.729 1.756 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.878 4.148 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.365 3.827 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.602 4.139 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.246 2.444 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.985 2.363 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.998 0.883 -1.062 1.00 0.00 H new ATOM 198 N ASP A 16 7.086 2.872 3.475 1.00 0.00 N ATOM 199 CA ASP A 16 6.885 3.276 4.862 1.00 0.00 C ATOM 200 C ASP A 16 6.695 4.787 4.966 1.00 0.00 C ATOM 201 O ASP A 16 7.581 5.560 4.603 1.00 0.00 O ATOM 202 CB ASP A 16 8.074 2.839 5.720 1.00 0.00 C ATOM 203 CG ASP A 16 7.870 3.146 7.191 1.00 0.00 C ATOM 204 OD1 ASP A 16 6.750 2.918 7.694 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.830 3.615 7.838 1.00 0.00 O ATOM 0 H ASP A 16 7.735 3.461 2.954 1.00 0.00 H new ATOM 0 HA ASP A 16 5.982 2.788 5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.235 1.768 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.976 3.341 5.369 1.00 0.00 H new ATOM 210 N MET A 17 5.534 5.199 5.464 1.00 0.00 N ATOM 211 CA MET A 17 5.228 6.617 5.615 1.00 0.00 C ATOM 212 C MET A 17 4.229 6.840 6.746 1.00 0.00 C ATOM 213 O MET A 17 3.569 5.903 7.196 1.00 0.00 O ATOM 214 CB MET A 17 4.672 7.183 4.308 1.00 0.00 C ATOM 215 CG MET A 17 5.120 6.416 3.074 1.00 0.00 C ATOM 216 SD MET A 17 4.544 7.170 1.541 1.00 0.00 S ATOM 217 CE MET A 17 2.796 7.348 1.886 1.00 0.00 C ATOM 0 H MET A 17 4.790 4.572 5.770 1.00 0.00 H new ATOM 0 HA MET A 17 6.153 7.138 5.863 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.583 7.178 4.354 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.982 8.224 4.211 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.209 6.361 3.061 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.750 5.393 3.133 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.256 7.511 0.953 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.426 6.442 2.366 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.641 8.199 2.549 1.00 0.00 H new ATOM 227 N GLU A 18 4.123 8.085 7.199 1.00 0.00 N ATOM 228 CA GLU A 18 3.204 8.428 8.278 1.00 0.00 C ATOM 229 C GLU A 18 2.148 9.421 7.798 1.00 0.00 C ATOM 230 O GLU A 18 2.195 9.894 6.663 1.00 0.00 O ATOM 231 CB GLU A 18 3.971 9.017 9.464 1.00 0.00 C ATOM 232 CG GLU A 18 4.328 7.991 10.527 1.00 0.00 C ATOM 233 CD GLU A 18 5.608 8.336 11.263 1.00 0.00 C ATOM 234 OE1 GLU A 18 5.619 9.352 11.989 1.00 0.00 O ATOM 235 OE2 GLU A 18 6.599 7.590 11.114 1.00 0.00 O ATOM 0 H GLU A 18 4.661 8.872 6.836 1.00 0.00 H new ATOM 0 HA GLU A 18 2.702 7.515 8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.886 9.483 9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.371 9.805 9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.510 7.916 11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.434 7.012 10.060 1.00 0.00 H new ATOM 242 N LYS A 19 1.196 9.731 8.672 1.00 0.00 N ATOM 243 CA LYS A 19 0.129 10.667 8.340 1.00 0.00 C ATOM 244 C LYS A 19 0.653 12.099 8.304 1.00 0.00 C ATOM 245 O LYS A 19 1.706 12.399 8.864 1.00 0.00 O ATOM 246 CB LYS A 19 -1.010 10.555 9.356 1.00 0.00 C ATOM 247 CG LYS A 19 -2.373 10.901 8.783 1.00 0.00 C ATOM 248 CD LYS A 19 -2.964 9.737 8.006 1.00 0.00 C ATOM 249 CE LYS A 19 -3.961 8.954 8.847 1.00 0.00 C ATOM 250 NZ LYS A 19 -4.924 9.851 9.544 1.00 0.00 N ATOM 0 H LYS A 19 1.142 9.347 9.616 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.249 10.412 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.037 9.538 9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.801 11.215 10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.048 11.180 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.284 11.768 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.457 10.110 7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.164 9.074 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.508 8.260 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.424 8.355 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.836 9.363 9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.550 10.100 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.059 10.717 8.984 1.00 0.00 H new ATOM 264 N GLY A 20 -0.092 12.981 7.643 1.00 0.00 N ATOM 265 CA GLY A 20 0.314 14.371 7.548 1.00 0.00 C ATOM 266 C GLY A 20 -0.805 15.327 7.910 1.00 0.00 C ATOM 267 O GLY A 20 -1.743 14.958 8.617 1.00 0.00 O ATOM 0 H GLY A 20 -0.969 12.757 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.164 14.544 8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.652 14.579 6.533 1.00 0.00 H new ATOM 271 N ALA A 21 -0.707 16.561 7.426 1.00 0.00 N ATOM 272 CA ALA A 21 -1.719 17.573 7.702 1.00 0.00 C ATOM 273 C ALA A 21 -3.112 17.070 7.336 1.00 0.00 C ATOM 274 O ALA A 21 -4.012 17.039 8.176 1.00 0.00 O ATOM 275 CB ALA A 21 -1.403 18.855 6.946 1.00 0.00 C ATOM 0 H ALA A 21 0.063 16.884 6.841 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.706 17.783 8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.167 19.602 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.429 19.231 7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.386 18.651 5.875 1.00 0.00 H new ATOM 281 N LYS A 22 -3.283 16.679 6.078 1.00 0.00 N ATOM 282 CA LYS A 22 -4.566 16.177 5.601 1.00 0.00 C ATOM 283 C LYS A 22 -4.475 14.694 5.253 1.00 0.00 C ATOM 284 O LYS A 22 -5.189 14.207 4.377 1.00 0.00 O ATOM 285 CB LYS A 22 -5.024 16.972 4.376 1.00 0.00 C ATOM 286 CG LYS A 22 -5.288 18.439 4.667 1.00 0.00 C ATOM 287 CD LYS A 22 -6.602 18.634 5.405 1.00 0.00 C ATOM 288 CE LYS A 22 -6.798 20.084 5.819 1.00 0.00 C ATOM 289 NZ LYS A 22 -8.239 20.425 5.978 1.00 0.00 N ATOM 0 H LYS A 22 -2.549 16.700 5.370 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.296 16.300 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.264 16.896 3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.933 16.520 3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.471 18.845 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.309 18.998 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.429 18.322 4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.623 17.996 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.276 20.267 6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.350 20.739 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.331 21.422 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.733 20.274 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.661 19.818 6.709 1.00 0.00 H new ATOM 303 N GLY A 23 -3.592 13.981 5.946 1.00 0.00 N ATOM 304 CA GLY A 23 -3.425 12.562 5.696 1.00 0.00 C ATOM 305 C GLY A 23 -2.062 12.230 5.123 1.00 0.00 C ATOM 306 O GLY A 23 -1.202 13.102 5.004 1.00 0.00 O ATOM 0 H GLY A 23 -2.990 14.361 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.568 12.013 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.198 12.225 5.005 1.00 0.00 H new ATOM 310 N PHE A 24 -1.863 10.965 4.767 1.00 0.00 N ATOM 311 CA PHE A 24 -0.593 10.519 4.206 1.00 0.00 C ATOM 312 C PHE A 24 -0.208 11.363 2.994 1.00 0.00 C ATOM 313 O PHE A 24 0.964 11.450 2.631 1.00 0.00 O ATOM 314 CB PHE A 24 -0.677 9.044 3.808 1.00 0.00 C ATOM 315 CG PHE A 24 -0.758 8.111 4.982 1.00 0.00 C ATOM 316 CD1 PHE A 24 0.393 7.676 5.619 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.985 7.667 5.448 1.00 0.00 C ATOM 318 CE1 PHE A 24 0.322 6.817 6.700 1.00 0.00 C ATOM 319 CE2 PHE A 24 -2.063 6.809 6.528 1.00 0.00 C ATOM 320 CZ PHE A 24 -0.908 6.382 7.154 1.00 0.00 C ATOM 0 H PHE A 24 -2.565 10.231 4.857 1.00 0.00 H new ATOM 0 HA PHE A 24 0.175 10.639 4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.552 8.896 3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.197 8.787 3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.357 8.012 5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.891 7.996 4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.227 6.487 7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.026 6.472 6.883 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.967 5.709 7.997 1.00 0.00 H new ATOM 330 N GLY A 25 -1.206 11.984 2.372 1.00 0.00 N ATOM 331 CA GLY A 25 -0.952 12.813 1.208 1.00 0.00 C ATOM 332 C GLY A 25 -0.756 11.995 -0.054 1.00 0.00 C ATOM 333 O GLY A 25 0.110 12.303 -0.873 1.00 0.00 O ATOM 0 H GLY A 25 -2.185 11.928 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.786 13.500 1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.065 13.421 1.385 1.00 0.00 H new ATOM 337 N PHE A 26 -1.560 10.949 -0.210 1.00 0.00 N ATOM 338 CA PHE A 26 -1.469 10.083 -1.380 1.00 0.00 C ATOM 339 C PHE A 26 -2.814 9.426 -1.677 1.00 0.00 C ATOM 340 O PHE A 26 -3.553 9.060 -0.763 1.00 0.00 O ATOM 341 CB PHE A 26 -0.401 9.009 -1.163 1.00 0.00 C ATOM 342 CG PHE A 26 -0.935 7.749 -0.543 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.834 6.950 -1.231 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.536 7.363 0.726 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.327 5.791 -0.662 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.026 6.205 1.300 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.922 5.417 0.604 1.00 0.00 C ATOM 0 H PHE A 26 -2.282 10.680 0.459 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.189 10.698 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.059 8.766 -2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.385 9.413 -0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.153 7.236 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.166 7.974 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.029 5.178 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.709 5.917 2.291 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.305 4.510 1.049 1.00 0.00 H new ATOM 357 N SER A 27 -3.124 9.281 -2.961 1.00 0.00 N ATOM 358 CA SER A 27 -4.382 8.673 -3.379 1.00 0.00 C ATOM 359 C SER A 27 -4.129 7.402 -4.184 1.00 0.00 C ATOM 360 O SER A 27 -2.998 7.120 -4.580 1.00 0.00 O ATOM 361 CB SER A 27 -5.200 9.663 -4.211 1.00 0.00 C ATOM 362 OG SER A 27 -6.411 9.077 -4.655 1.00 0.00 O ATOM 0 H SER A 27 -2.522 9.576 -3.730 1.00 0.00 H new ATOM 0 HA SER A 27 -4.945 8.410 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.418 10.550 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.615 9.992 -5.070 1.00 0.00 H new ATOM 0 HG SER A 27 -6.916 9.730 -5.183 1.00 0.00 H new ATOM 368 N ILE A 28 -5.191 6.639 -4.422 1.00 0.00 N ATOM 369 CA ILE A 28 -5.085 5.398 -5.180 1.00 0.00 C ATOM 370 C ILE A 28 -6.139 5.335 -6.280 1.00 0.00 C ATOM 371 O ILE A 28 -7.065 6.145 -6.314 1.00 0.00 O ATOM 372 CB ILE A 28 -5.236 4.166 -4.268 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.061 4.520 -3.029 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.868 3.634 -3.867 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.648 3.314 -2.330 1.00 0.00 C ATOM 0 H ILE A 28 -6.134 6.858 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.092 5.387 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.760 3.385 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.431 5.066 -2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.870 5.191 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.991 2.763 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.312 3.349 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.320 4.408 -3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.220 3.640 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.304 2.779 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.844 2.653 -2.008 1.00 0.00 H new ATOM 387 N ARG A 29 -5.992 4.366 -7.178 1.00 0.00 N ATOM 388 CA ARG A 29 -6.932 4.196 -8.280 1.00 0.00 C ATOM 389 C ARG A 29 -7.096 2.720 -8.631 1.00 0.00 C ATOM 390 O ARG A 29 -6.295 1.881 -8.221 1.00 0.00 O ATOM 391 CB ARG A 29 -6.457 4.974 -9.508 1.00 0.00 C ATOM 392 CG ARG A 29 -5.540 4.174 -10.419 1.00 0.00 C ATOM 393 CD ARG A 29 -6.327 3.425 -11.482 1.00 0.00 C ATOM 394 NE ARG A 29 -5.559 3.252 -12.712 1.00 0.00 N ATOM 395 CZ ARG A 29 -5.354 4.224 -13.594 1.00 0.00 C ATOM 396 NH1 ARG A 29 -5.857 5.432 -13.382 1.00 0.00 N ATOM 397 NH2 ARG A 29 -4.643 3.989 -14.689 1.00 0.00 N ATOM 0 H ARG A 29 -5.231 3.687 -7.164 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.899 4.586 -7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.326 5.302 -10.078 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.935 5.872 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.826 4.844 -10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.963 3.465 -9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.618 2.448 -11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.246 3.968 -11.702 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.158 2.334 -12.905 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.403 5.617 -12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.698 6.177 -14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.253 3.061 -14.854 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.486 4.736 -15.365 1.00 0.00 H new ATOM 411 N GLY A 30 -8.141 2.411 -9.394 1.00 0.00 N ATOM 412 CA GLY A 30 -8.391 1.037 -9.787 1.00 0.00 C ATOM 413 C GLY A 30 -8.993 0.214 -8.666 1.00 0.00 C ATOM 414 O GLY A 30 -9.339 0.746 -7.612 1.00 0.00 O ATOM 0 H GLY A 30 -8.818 3.088 -9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.064 1.024 -10.645 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.456 0.578 -10.109 1.00 0.00 H new ATOM 418 N GLY A 31 -9.120 -1.090 -8.893 1.00 0.00 N ATOM 419 CA GLY A 31 -9.686 -1.967 -7.885 1.00 0.00 C ATOM 420 C GLY A 31 -10.744 -2.894 -8.451 1.00 0.00 C ATOM 421 O GLY A 31 -11.234 -2.683 -9.560 1.00 0.00 O ATOM 0 H GLY A 31 -8.841 -1.555 -9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.890 -2.561 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.123 -1.365 -7.088 1.00 0.00 H new ATOM 425 N ARG A 32 -11.095 -3.924 -7.688 1.00 0.00 N ATOM 426 CA ARG A 32 -12.099 -4.888 -8.121 1.00 0.00 C ATOM 427 C ARG A 32 -13.329 -4.178 -8.680 1.00 0.00 C ATOM 428 O ARG A 32 -13.990 -4.684 -9.586 1.00 0.00 O ATOM 429 CB ARG A 32 -12.505 -5.793 -6.956 1.00 0.00 C ATOM 430 CG ARG A 32 -11.549 -6.951 -6.722 1.00 0.00 C ATOM 431 CD ARG A 32 -11.658 -7.994 -7.823 1.00 0.00 C ATOM 432 NE ARG A 32 -12.777 -8.906 -7.604 1.00 0.00 N ATOM 433 CZ ARG A 32 -12.954 -10.030 -8.290 1.00 0.00 C ATOM 434 NH1 ARG A 32 -12.090 -10.378 -9.233 1.00 0.00 N ATOM 435 NH2 ARG A 32 -13.998 -10.808 -8.032 1.00 0.00 N ATOM 0 H ARG A 32 -10.699 -4.112 -6.767 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.662 -5.499 -8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.567 -5.195 -6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.503 -6.189 -7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.527 -6.576 -6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.764 -7.413 -5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.780 -7.495 -8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.731 -8.564 -7.875 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.460 -8.667 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.287 -9.782 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.228 -11.241 -9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.665 -10.543 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.134 -11.671 -8.559 1.00 0.00 H new ATOM 449 N GLU A 33 -13.628 -3.005 -8.132 1.00 0.00 N ATOM 450 CA GLU A 33 -14.779 -2.227 -8.576 1.00 0.00 C ATOM 451 C GLU A 33 -14.677 -1.905 -10.064 1.00 0.00 C ATOM 452 O GLU A 33 -15.681 -1.892 -10.777 1.00 0.00 O ATOM 453 CB GLU A 33 -14.888 -0.931 -7.769 1.00 0.00 C ATOM 454 CG GLU A 33 -15.941 0.028 -8.299 1.00 0.00 C ATOM 455 CD GLU A 33 -17.354 -0.464 -8.056 1.00 0.00 C ATOM 456 OE1 GLU A 33 -17.562 -1.695 -8.058 1.00 0.00 O ATOM 457 OE2 GLU A 33 -18.253 0.382 -7.863 1.00 0.00 O ATOM 0 H GLU A 33 -13.090 -2.573 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.675 -2.826 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.121 -1.176 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.920 -0.430 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.813 1.001 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.790 0.173 -9.369 1.00 0.00 H new ATOM 464 N TYR A 34 -13.459 -1.647 -10.526 1.00 0.00 N ATOM 465 CA TYR A 34 -13.226 -1.322 -11.928 1.00 0.00 C ATOM 466 C TYR A 34 -12.507 -2.465 -12.639 1.00 0.00 C ATOM 467 O TYR A 34 -12.108 -2.338 -13.797 1.00 0.00 O ATOM 468 CB TYR A 34 -12.405 -0.037 -12.046 1.00 0.00 C ATOM 469 CG TYR A 34 -12.748 0.999 -11.000 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.924 1.735 -11.083 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.897 1.243 -9.929 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.242 2.683 -10.130 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.207 2.189 -8.971 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.381 2.906 -9.075 1.00 0.00 C ATOM 475 OH TYR A 34 -13.693 3.849 -8.124 1.00 0.00 O ATOM 0 H TYR A 34 -12.617 -1.657 -9.950 1.00 0.00 H new ATOM 0 HA TYR A 34 -14.194 -1.172 -12.406 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.346 -0.284 -11.967 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.559 0.393 -13.036 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.601 1.563 -11.907 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.977 0.683 -9.844 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.160 3.247 -10.210 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.534 2.366 -8.145 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.600 3.456 -7.231 1.00 0.00 H new ATOM 485 N LYS A 35 -12.347 -3.582 -11.938 1.00 0.00 N ATOM 486 CA LYS A 35 -11.679 -4.750 -12.500 1.00 0.00 C ATOM 487 C LYS A 35 -10.256 -4.408 -12.930 1.00 0.00 C ATOM 488 O LYS A 35 -9.870 -4.646 -14.074 1.00 0.00 O ATOM 489 CB LYS A 35 -12.469 -5.288 -13.695 1.00 0.00 C ATOM 490 CG LYS A 35 -13.882 -5.721 -13.345 1.00 0.00 C ATOM 491 CD LYS A 35 -13.883 -6.929 -12.422 1.00 0.00 C ATOM 492 CE LYS A 35 -15.289 -7.471 -12.215 1.00 0.00 C ATOM 493 NZ LYS A 35 -16.147 -6.515 -11.462 1.00 0.00 N ATOM 0 H LYS A 35 -12.671 -3.703 -10.979 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.632 -5.518 -11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.514 -4.519 -14.466 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.933 -6.136 -14.122 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.408 -4.895 -12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.427 -5.959 -14.258 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.249 -7.710 -12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.453 -6.653 -11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.743 -7.681 -13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.238 -8.416 -11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.833 -7.044 -10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.552 -5.929 -10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.656 -5.903 -12.132 1.00 0.00 H new ATOM 507 N MET A 36 -9.481 -3.852 -12.005 1.00 0.00 N ATOM 508 CA MET A 36 -8.100 -3.481 -12.289 1.00 0.00 C ATOM 509 C MET A 36 -7.286 -3.389 -11.002 1.00 0.00 C ATOM 510 O MET A 36 -7.843 -3.252 -9.912 1.00 0.00 O ATOM 511 CB MET A 36 -8.050 -2.145 -13.033 1.00 0.00 C ATOM 512 CG MET A 36 -8.759 -1.016 -12.303 1.00 0.00 C ATOM 513 SD MET A 36 -9.268 0.314 -13.409 1.00 0.00 S ATOM 514 CE MET A 36 -8.119 1.605 -12.938 1.00 0.00 C ATOM 0 H MET A 36 -9.786 -3.649 -11.053 1.00 0.00 H new ATOM 0 HA MET A 36 -7.665 -4.256 -12.920 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.008 -1.866 -13.192 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.501 -2.270 -14.018 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.636 -1.413 -11.791 1.00 0.00 H new ATOM 0 HG3 MET A 36 -8.098 -0.613 -11.536 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.795 2.146 -13.827 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.609 2.296 -12.252 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.253 1.160 -12.448 1.00 0.00 H new ATOM 524 N ASP A 37 -5.966 -3.466 -11.135 1.00 0.00 N ATOM 525 CA ASP A 37 -5.076 -3.390 -9.982 1.00 0.00 C ATOM 526 C ASP A 37 -5.173 -2.025 -9.309 1.00 0.00 C ATOM 527 O ASP A 37 -5.795 -1.103 -9.838 1.00 0.00 O ATOM 528 CB ASP A 37 -3.632 -3.662 -10.407 1.00 0.00 C ATOM 529 CG ASP A 37 -3.532 -4.758 -11.451 1.00 0.00 C ATOM 530 OD1 ASP A 37 -4.335 -5.712 -11.388 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.652 -4.660 -12.330 1.00 0.00 O ATOM 0 H ASP A 37 -5.489 -3.581 -12.029 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.385 -4.151 -9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.194 -2.746 -10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.046 -3.943 -9.532 1.00 0.00 H new ATOM 536 N LEU A 38 -4.555 -1.903 -8.139 1.00 0.00 N ATOM 537 CA LEU A 38 -4.572 -0.650 -7.392 1.00 0.00 C ATOM 538 C LEU A 38 -3.292 0.144 -7.631 1.00 0.00 C ATOM 539 O LEU A 38 -2.196 -0.316 -7.310 1.00 0.00 O ATOM 540 CB LEU A 38 -4.744 -0.926 -5.898 1.00 0.00 C ATOM 541 CG LEU A 38 -6.105 -1.475 -5.468 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.957 -2.378 -4.253 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.071 -0.336 -5.175 1.00 0.00 C ATOM 0 H LEU A 38 -4.036 -2.656 -7.687 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.416 -0.057 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.975 -1.634 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.561 0.001 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.512 -2.068 -6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.936 -2.759 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.301 -3.213 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.528 -1.810 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.034 -0.745 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.670 0.284 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.201 0.270 -6.071 1.00 0.00 H new ATOM 555 N TYR A 39 -3.438 1.338 -8.193 1.00 0.00 N ATOM 556 CA TYR A 39 -2.293 2.196 -8.474 1.00 0.00 C ATOM 557 C TYR A 39 -2.395 3.510 -7.705 1.00 0.00 C ATOM 558 O TYR A 39 -3.440 3.833 -7.140 1.00 0.00 O ATOM 559 CB TYR A 39 -2.196 2.477 -9.975 1.00 0.00 C ATOM 560 CG TYR A 39 -2.455 1.261 -10.836 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.736 0.741 -10.970 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.418 0.633 -11.515 1.00 0.00 C ATOM 563 CE1 TYR A 39 -3.977 -0.370 -11.756 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.650 -0.477 -12.303 1.00 0.00 C ATOM 565 CZ TYR A 39 -2.931 -0.975 -12.420 1.00 0.00 C ATOM 566 OH TYR A 39 -3.166 -2.082 -13.204 1.00 0.00 O ATOM 0 H TYR A 39 -4.338 1.734 -8.463 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.392 1.675 -8.149 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.911 3.257 -10.237 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.203 2.866 -10.200 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.557 1.213 -10.451 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.414 1.020 -11.425 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.979 -0.762 -11.850 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.833 -0.953 -12.825 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.439 -2.728 -13.084 1.00 0.00 H new ATOM 576 N VAL A 40 -1.301 4.265 -7.689 1.00 0.00 N ATOM 577 CA VAL A 40 -1.265 5.544 -6.992 1.00 0.00 C ATOM 578 C VAL A 40 -1.796 6.667 -7.876 1.00 0.00 C ATOM 579 O VAL A 40 -1.094 7.161 -8.760 1.00 0.00 O ATOM 580 CB VAL A 40 0.164 5.896 -6.537 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.205 7.295 -5.940 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.674 4.867 -5.540 1.00 0.00 C ATOM 0 H VAL A 40 -0.428 4.012 -8.151 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.903 5.444 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 40 0.819 5.879 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.222 7.526 -5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.116 8.020 -6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.462 7.343 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.685 5.131 -5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.019 4.849 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.684 3.882 -6.007 1.00 0.00 H new ATOM 592 N LEU A 41 -3.039 7.067 -7.632 1.00 0.00 N ATOM 593 CA LEU A 41 -3.666 8.133 -8.406 1.00 0.00 C ATOM 594 C LEU A 41 -2.749 9.348 -8.501 1.00 0.00 C ATOM 595 O LEU A 41 -2.255 9.683 -9.578 1.00 0.00 O ATOM 596 CB LEU A 41 -4.999 8.534 -7.772 1.00 0.00 C ATOM 597 CG LEU A 41 -5.916 9.404 -8.633 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.163 10.614 -9.162 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.498 8.592 -9.781 1.00 0.00 C ATOM 0 H LEU A 41 -3.633 6.669 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.848 7.759 -9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.539 7.626 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.792 9.067 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.738 9.758 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.832 11.221 -9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.796 11.208 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.320 10.282 -9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.148 9.227 -10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.689 8.208 -10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.075 7.758 -9.381 1.00 0.00 H new ATOM 611 N ARG A 42 -2.523 10.003 -7.367 1.00 0.00 N ATOM 612 CA ARG A 42 -1.664 11.180 -7.322 1.00 0.00 C ATOM 613 C ARG A 42 -0.931 11.268 -5.987 1.00 0.00 C ATOM 614 O ARG A 42 -1.099 10.412 -5.117 1.00 0.00 O ATOM 615 CB ARG A 42 -2.489 12.449 -7.548 1.00 0.00 C ATOM 616 CG ARG A 42 -3.481 12.736 -6.433 1.00 0.00 C ATOM 617 CD ARG A 42 -2.857 13.584 -5.336 1.00 0.00 C ATOM 618 NE ARG A 42 -2.361 14.859 -5.845 1.00 0.00 N ATOM 619 CZ ARG A 42 -3.152 15.847 -6.249 1.00 0.00 C ATOM 620 NH1 ARG A 42 -4.470 15.707 -6.202 1.00 0.00 N ATOM 621 NH2 ARG A 42 -2.626 16.978 -6.700 1.00 0.00 N ATOM 0 H ARG A 42 -2.923 9.738 -6.467 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.924 11.089 -8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.813 13.298 -7.649 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.030 12.358 -8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.351 13.251 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.836 11.796 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.596 13.768 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.037 13.034 -4.875 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.352 14.999 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.879 14.839 -5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.075 16.467 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.613 17.090 -6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.235 17.736 -7.010 1.00 0.00 H new ATOM 635 N LEU A 43 -0.118 12.307 -5.831 1.00 0.00 N ATOM 636 CA LEU A 43 0.641 12.507 -4.602 1.00 0.00 C ATOM 637 C LEU A 43 0.492 13.938 -4.096 1.00 0.00 C ATOM 638 O LEU A 43 0.298 14.867 -4.880 1.00 0.00 O ATOM 639 CB LEU A 43 2.119 12.188 -4.835 1.00 0.00 C ATOM 640 CG LEU A 43 2.547 10.747 -4.555 1.00 0.00 C ATOM 641 CD1 LEU A 43 3.987 10.524 -4.991 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.377 10.417 -3.080 1.00 0.00 C ATOM 0 H LEU A 43 0.032 13.024 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 43 0.244 11.831 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.362 12.423 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.716 12.851 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 43 1.907 10.079 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.274 9.493 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.078 10.719 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.642 11.200 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.686 9.388 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.992 11.091 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.331 10.536 -2.799 1.00 0.00 H new ATOM 654 N ALA A 44 0.584 14.108 -2.781 1.00 0.00 N ATOM 655 CA ALA A 44 0.463 15.427 -2.171 1.00 0.00 C ATOM 656 C ALA A 44 1.813 16.134 -2.121 1.00 0.00 C ATOM 657 O ALA A 44 2.753 15.652 -1.490 1.00 0.00 O ATOM 658 CB ALA A 44 -0.126 15.309 -0.774 1.00 0.00 C ATOM 0 H ALA A 44 0.742 13.349 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.208 16.026 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.211 16.301 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.114 14.852 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.524 14.689 -0.156 1.00 0.00 H new ATOM 664 N GLU A 45 1.902 17.279 -2.790 1.00 0.00 N ATOM 665 CA GLU A 45 3.138 18.051 -2.822 1.00 0.00 C ATOM 666 C GLU A 45 3.574 18.439 -1.412 1.00 0.00 C ATOM 667 O GLU A 45 4.767 18.524 -1.121 1.00 0.00 O ATOM 668 CB GLU A 45 2.959 19.308 -3.676 1.00 0.00 C ATOM 669 CG GLU A 45 1.654 20.040 -3.415 1.00 0.00 C ATOM 670 CD GLU A 45 1.582 21.378 -4.126 1.00 0.00 C ATOM 671 OE1 GLU A 45 1.634 21.390 -5.373 1.00 0.00 O ATOM 672 OE2 GLU A 45 1.474 22.412 -3.434 1.00 0.00 O ATOM 0 H GLU A 45 1.133 17.692 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 45 3.914 17.427 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.791 19.987 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.006 19.031 -4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.821 19.416 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.538 20.196 -2.343 1.00 0.00 H new ATOM 679 N ASP A 46 2.599 18.673 -0.541 1.00 0.00 N ATOM 680 CA ASP A 46 2.880 19.051 0.839 1.00 0.00 C ATOM 681 C ASP A 46 2.476 17.937 1.801 1.00 0.00 C ATOM 682 O ASP A 46 1.992 18.199 2.901 1.00 0.00 O ATOM 683 CB ASP A 46 2.143 20.343 1.197 1.00 0.00 C ATOM 684 CG ASP A 46 2.973 21.579 0.914 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.398 21.757 -0.247 1.00 0.00 O ATOM 686 OD2 ASP A 46 3.197 22.370 1.854 1.00 0.00 O ATOM 0 H ASP A 46 1.606 18.608 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 46 3.953 19.216 0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.213 20.396 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.873 20.324 2.253 1.00 0.00 H new ATOM 691 N GLY A 47 2.678 16.693 1.376 1.00 0.00 N ATOM 692 CA GLY A 47 2.329 15.559 2.211 1.00 0.00 C ATOM 693 C GLY A 47 3.524 14.684 2.531 1.00 0.00 C ATOM 694 O GLY A 47 4.579 14.784 1.904 1.00 0.00 O ATOM 0 H GLY A 47 3.077 16.451 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.887 15.919 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.570 14.961 1.707 1.00 0.00 H new ATOM 698 N PRO A 48 3.368 13.803 3.530 1.00 0.00 N ATOM 699 CA PRO A 48 4.433 12.891 3.956 1.00 0.00 C ATOM 700 C PRO A 48 4.721 11.811 2.918 1.00 0.00 C ATOM 701 O PRO A 48 5.759 11.152 2.966 1.00 0.00 O ATOM 702 CB PRO A 48 3.875 12.267 5.237 1.00 0.00 C ATOM 703 CG PRO A 48 2.396 12.365 5.093 1.00 0.00 C ATOM 704 CD PRO A 48 2.138 13.630 4.322 1.00 0.00 C ATOM 0 HA PRO A 48 5.381 13.409 4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.194 11.230 5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.223 12.801 6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.997 11.498 4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.910 12.396 6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.259 13.540 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.965 14.477 4.986 1.00 0.00 H new ATOM 712 N ALA A 49 3.794 11.636 1.982 1.00 0.00 N ATOM 713 CA ALA A 49 3.950 10.637 0.931 1.00 0.00 C ATOM 714 C ALA A 49 4.973 11.087 -0.107 1.00 0.00 C ATOM 715 O ALA A 49 5.992 10.428 -0.314 1.00 0.00 O ATOM 716 CB ALA A 49 2.610 10.357 0.267 1.00 0.00 C ATOM 0 H ALA A 49 2.928 12.172 1.930 1.00 0.00 H new ATOM 0 HA ALA A 49 4.316 9.718 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.741 9.610 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.906 9.984 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.222 11.277 -0.171 1.00 0.00 H new ATOM 722 N ILE A 50 4.694 12.212 -0.756 1.00 0.00 N ATOM 723 CA ILE A 50 5.591 12.749 -1.772 1.00 0.00 C ATOM 724 C ILE A 50 6.997 12.944 -1.217 1.00 0.00 C ATOM 725 O ILE A 50 7.955 13.115 -1.971 1.00 0.00 O ATOM 726 CB ILE A 50 5.078 14.094 -2.322 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.631 14.339 -3.727 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.465 15.230 -1.388 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.865 15.387 -4.504 1.00 0.00 C ATOM 0 H ILE A 50 3.855 12.769 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 50 5.621 12.021 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 50 3.990 14.055 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.674 14.646 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.615 13.402 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.096 16.173 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.027 15.058 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.550 15.274 -1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.313 15.508 -5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.827 15.073 -4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.903 16.336 -3.969 1.00 0.00 H new ATOM 741 N ARG A 51 7.114 12.914 0.107 1.00 0.00 N ATOM 742 CA ARG A 51 8.404 13.086 0.764 1.00 0.00 C ATOM 743 C ARG A 51 9.053 11.735 1.052 1.00 0.00 C ATOM 744 O ARG A 51 10.260 11.649 1.269 1.00 0.00 O ATOM 745 CB ARG A 51 8.236 13.871 2.067 1.00 0.00 C ATOM 746 CG ARG A 51 7.636 15.253 1.871 1.00 0.00 C ATOM 747 CD ARG A 51 7.182 15.855 3.192 1.00 0.00 C ATOM 748 NE ARG A 51 8.291 16.446 3.935 1.00 0.00 N ATOM 749 CZ ARG A 51 8.130 17.300 4.940 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.912 17.661 5.319 1.00 0.00 N ATOM 751 NH2 ARG A 51 9.190 17.795 5.567 1.00 0.00 N ATOM 0 H ARG A 51 6.331 12.772 0.745 1.00 0.00 H new ATOM 0 HA ARG A 51 9.054 13.646 0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.601 13.301 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.208 13.971 2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.372 15.908 1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.789 15.190 1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.426 16.617 3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.710 15.082 3.799 1.00 0.00 H new ATOM 0 HE ARG A 51 9.241 16.189 3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.095 17.283 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.791 18.317 6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.128 17.520 5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.066 18.451 6.338 1.00 0.00 H new ATOM 765 N ASN A 52 8.241 10.683 1.052 1.00 0.00 N ATOM 766 CA ASN A 52 8.735 9.336 1.314 1.00 0.00 C ATOM 767 C ASN A 52 9.679 8.878 0.206 1.00 0.00 C ATOM 768 O ASN A 52 10.830 8.525 0.464 1.00 0.00 O ATOM 769 CB ASN A 52 7.566 8.357 1.439 1.00 0.00 C ATOM 770 CG ASN A 52 7.894 6.989 0.873 1.00 0.00 C ATOM 771 OD1 ASN A 52 8.889 6.370 1.251 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.057 6.510 -0.040 1.00 0.00 N ATOM 0 H ASN A 52 7.238 10.737 0.874 1.00 0.00 H new ATOM 0 HA ASN A 52 9.287 9.355 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.291 8.256 2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.698 8.763 0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.227 5.595 -0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.244 7.057 -0.324 1.00 0.00 H new ATOM 779 N GLY A 53 9.185 8.887 -1.028 1.00 0.00 N ATOM 780 CA GLY A 53 9.997 8.472 -2.156 1.00 0.00 C ATOM 781 C GLY A 53 9.734 7.035 -2.562 1.00 0.00 C ATOM 782 O GLY A 53 9.441 6.756 -3.725 1.00 0.00 O ATOM 0 H GLY A 53 8.236 9.175 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.798 9.128 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.051 8.588 -1.903 1.00 0.00 H new ATOM 786 N ARG A 54 9.840 6.122 -1.603 1.00 0.00 N ATOM 787 CA ARG A 54 9.614 4.706 -1.868 1.00 0.00 C ATOM 788 C ARG A 54 8.429 4.512 -2.810 1.00 0.00 C ATOM 789 O ARG A 54 8.391 3.557 -3.585 1.00 0.00 O ATOM 790 CB ARG A 54 9.368 3.953 -0.559 1.00 0.00 C ATOM 791 CG ARG A 54 10.635 3.689 0.239 1.00 0.00 C ATOM 792 CD ARG A 54 11.460 2.572 -0.381 1.00 0.00 C ATOM 793 NE ARG A 54 12.241 1.849 0.619 1.00 0.00 N ATOM 794 CZ ARG A 54 13.118 0.897 0.320 1.00 0.00 C ATOM 795 NH1 ARG A 54 13.326 0.557 -0.945 1.00 0.00 N ATOM 796 NH2 ARG A 54 13.790 0.285 1.286 1.00 0.00 N ATOM 0 H ARG A 54 10.081 6.337 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 54 10.507 4.304 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.674 4.527 0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.884 3.002 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.232 4.600 0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.373 3.424 1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.798 1.876 -0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.131 2.990 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 54 12.106 2.088 1.601 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.812 1.027 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.000 -0.174 -1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.634 0.545 2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.463 -0.446 1.055 1.00 0.00 H new ATOM 810 N MET A 55 7.465 5.423 -2.735 1.00 0.00 N ATOM 811 CA MET A 55 6.280 5.352 -3.581 1.00 0.00 C ATOM 812 C MET A 55 6.108 6.636 -4.387 1.00 0.00 C ATOM 813 O MET A 55 6.329 7.734 -3.876 1.00 0.00 O ATOM 814 CB MET A 55 5.034 5.100 -2.730 1.00 0.00 C ATOM 815 CG MET A 55 4.440 6.365 -2.133 1.00 0.00 C ATOM 816 SD MET A 55 3.314 7.205 -3.264 1.00 0.00 S ATOM 817 CE MET A 55 1.741 6.897 -2.466 1.00 0.00 C ATOM 0 H MET A 55 7.481 6.219 -2.097 1.00 0.00 H new ATOM 0 HA MET A 55 6.411 4.523 -4.276 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.279 4.608 -3.343 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.288 4.412 -1.924 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.907 6.114 -1.216 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.246 7.045 -1.857 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.934 7.278 -3.092 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.611 5.825 -2.320 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.719 7.401 -1.500 1.00 0.00 H new ATOM 827 N ARG A 56 5.715 6.490 -5.648 1.00 0.00 N ATOM 828 CA ARG A 56 5.516 7.639 -6.523 1.00 0.00 C ATOM 829 C ARG A 56 4.185 7.534 -7.263 1.00 0.00 C ATOM 830 O ARG A 56 3.406 6.609 -7.034 1.00 0.00 O ATOM 831 CB ARG A 56 6.664 7.745 -7.529 1.00 0.00 C ATOM 832 CG ARG A 56 7.829 8.587 -7.035 1.00 0.00 C ATOM 833 CD ARG A 56 8.613 7.869 -5.947 1.00 0.00 C ATOM 834 NE ARG A 56 10.024 8.247 -5.949 1.00 0.00 N ATOM 835 CZ ARG A 56 10.876 7.901 -6.908 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.463 7.172 -7.936 1.00 0.00 N ATOM 837 NH2 ARG A 56 12.145 8.283 -6.839 1.00 0.00 N ATOM 0 H ARG A 56 5.528 5.588 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 56 5.499 8.537 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.024 6.743 -7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.285 8.173 -8.457 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.491 8.819 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.456 9.536 -6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.177 8.099 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.526 6.792 -6.088 1.00 0.00 H new ATOM 0 HE ARG A 56 10.374 8.807 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.489 6.875 -7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.120 6.908 -8.671 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.467 8.843 -6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.798 8.017 -7.576 1.00 0.00 H new ATOM 851 N VAL A 57 3.932 8.489 -8.152 1.00 0.00 N ATOM 852 CA VAL A 57 2.696 8.504 -8.926 1.00 0.00 C ATOM 853 C VAL A 57 2.863 7.753 -10.242 1.00 0.00 C ATOM 854 O VAL A 57 3.661 8.142 -11.095 1.00 0.00 O ATOM 855 CB VAL A 57 2.239 9.945 -9.225 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.974 9.939 -10.070 1.00 0.00 C ATOM 857 CG2 VAL A 57 2.021 10.713 -7.930 1.00 0.00 C ATOM 0 H VAL A 57 4.566 9.262 -8.354 1.00 0.00 H new ATOM 0 HA VAL A 57 1.937 8.008 -8.321 1.00 0.00 H new ATOM 0 HB VAL A 57 3.023 10.447 -9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.666 10.965 -10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.168 9.427 -11.012 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.180 9.421 -9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.699 11.729 -8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.255 10.215 -7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.953 10.747 -7.366 1.00 0.00 H new ATOM 867 N GLY A 58 2.104 6.673 -10.402 1.00 0.00 N ATOM 868 CA GLY A 58 2.182 5.884 -11.617 1.00 0.00 C ATOM 869 C GLY A 58 2.712 4.486 -11.367 1.00 0.00 C ATOM 870 O GLY A 58 3.177 3.817 -12.290 1.00 0.00 O ATOM 0 H GLY A 58 1.436 6.331 -9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.192 5.819 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.827 6.391 -12.335 1.00 0.00 H new ATOM 874 N ASP A 59 2.644 4.044 -10.116 1.00 0.00 N ATOM 875 CA ASP A 59 3.121 2.716 -9.747 1.00 0.00 C ATOM 876 C ASP A 59 1.953 1.761 -9.524 1.00 0.00 C ATOM 877 O ASP A 59 0.791 2.161 -9.596 1.00 0.00 O ATOM 878 CB ASP A 59 3.982 2.793 -8.485 1.00 0.00 C ATOM 879 CG ASP A 59 5.333 3.431 -8.744 1.00 0.00 C ATOM 880 OD1 ASP A 59 5.363 4.581 -9.231 1.00 0.00 O ATOM 881 OD2 ASP A 59 6.360 2.782 -8.457 1.00 0.00 O ATOM 0 H ASP A 59 2.263 4.586 -9.340 1.00 0.00 H new ATOM 0 HA ASP A 59 3.727 2.333 -10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.453 3.365 -7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.128 1.789 -8.086 1.00 0.00 H new ATOM 886 N GLN A 60 2.270 0.499 -9.254 1.00 0.00 N ATOM 887 CA GLN A 60 1.246 -0.512 -9.022 1.00 0.00 C ATOM 888 C GLN A 60 1.392 -1.127 -7.634 1.00 0.00 C ATOM 889 O GLN A 60 2.413 -1.738 -7.320 1.00 0.00 O ATOM 890 CB GLN A 60 1.329 -1.606 -10.088 1.00 0.00 C ATOM 891 CG GLN A 60 0.066 -2.445 -10.199 1.00 0.00 C ATOM 892 CD GLN A 60 0.089 -3.657 -9.288 1.00 0.00 C ATOM 893 OE1 GLN A 60 0.725 -4.666 -9.594 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.607 -3.564 -8.161 1.00 0.00 N ATOM 0 H GLN A 60 3.227 0.153 -9.191 1.00 0.00 H new ATOM 0 HA GLN A 60 0.272 -0.027 -9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.535 -1.145 -11.054 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.171 -2.260 -9.861 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.798 -1.828 -9.954 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.058 -2.773 -11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.120 -2.708 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.629 -4.348 -7.509 1.00 0.00 H new ATOM 903 N ILE A 61 0.365 -0.959 -6.807 1.00 0.00 N ATOM 904 CA ILE A 61 0.379 -1.498 -5.453 1.00 0.00 C ATOM 905 C ILE A 61 -0.113 -2.941 -5.430 1.00 0.00 C ATOM 906 O ILE A 61 -1.246 -3.227 -5.817 1.00 0.00 O ATOM 907 CB ILE A 61 -0.492 -0.656 -4.503 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.088 0.818 -4.577 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.371 -1.172 -3.076 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.215 1.771 -4.246 1.00 0.00 C ATOM 0 H ILE A 61 -0.487 -0.454 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 61 1.413 -1.464 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.533 -0.745 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.740 0.994 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.278 1.036 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.992 -0.567 -2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.702 -2.210 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.668 -1.110 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.856 2.798 -4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.035 1.623 -4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.567 1.580 -3.232 1.00 0.00 H new ATOM 922 N ILE A 62 0.746 -3.846 -4.973 1.00 0.00 N ATOM 923 CA ILE A 62 0.397 -5.260 -4.897 1.00 0.00 C ATOM 924 C ILE A 62 0.024 -5.658 -3.473 1.00 0.00 C ATOM 925 O ILE A 62 -0.608 -6.691 -3.253 1.00 0.00 O ATOM 926 CB ILE A 62 1.555 -6.152 -5.381 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.899 -5.477 -5.102 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.406 -6.455 -6.864 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.302 -4.473 -6.160 1.00 0.00 C ATOM 0 H ILE A 62 1.688 -3.626 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.463 -5.409 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 62 1.522 -7.093 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.851 -4.975 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.672 -6.242 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.232 -7.086 -7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.463 -6.973 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.416 -5.523 -7.429 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.264 -4.034 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.383 -4.974 -7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.549 -3.687 -6.221 1.00 0.00 H new ATOM 941 N GLU A 63 0.418 -4.830 -2.510 1.00 0.00 N ATOM 942 CA GLU A 63 0.123 -5.096 -1.107 1.00 0.00 C ATOM 943 C GLU A 63 -0.208 -3.804 -0.366 1.00 0.00 C ATOM 944 O GLU A 63 0.263 -2.727 -0.734 1.00 0.00 O ATOM 945 CB GLU A 63 1.310 -5.791 -0.437 1.00 0.00 C ATOM 946 CG GLU A 63 0.914 -6.681 0.730 1.00 0.00 C ATOM 947 CD GLU A 63 1.969 -7.721 1.053 1.00 0.00 C ATOM 948 OE1 GLU A 63 2.733 -8.095 0.139 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.030 -8.162 2.220 1.00 0.00 O ATOM 0 H GLU A 63 0.942 -3.970 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.746 -5.752 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.835 -6.392 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.012 -5.035 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.737 -6.063 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.026 -7.182 0.498 1.00 0.00 H new ATOM 956 N ILE A 64 -1.022 -3.919 0.678 1.00 0.00 N ATOM 957 CA ILE A 64 -1.416 -2.761 1.471 1.00 0.00 C ATOM 958 C ILE A 64 -1.514 -3.116 2.950 1.00 0.00 C ATOM 959 O ILE A 64 -2.335 -3.942 3.348 1.00 0.00 O ATOM 960 CB ILE A 64 -2.767 -2.190 1.000 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.623 -1.557 -0.385 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.289 -1.172 2.002 1.00 0.00 C ATOM 963 CD1 ILE A 64 -3.935 -1.086 -0.973 1.00 0.00 C ATOM 0 H ILE A 64 -1.422 -4.803 0.994 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.643 -2.005 1.332 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.486 -3.006 0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.939 -0.711 -0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.170 -2.282 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.244 -0.777 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.425 -1.652 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.573 -0.356 2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.757 -0.648 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.615 -1.933 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.380 -0.337 -0.317 1.00 0.00 H new ATOM 975 N ASN A 65 -0.672 -2.484 3.762 1.00 0.00 N ATOM 976 CA ASN A 65 -0.665 -2.731 5.199 1.00 0.00 C ATOM 977 C ASN A 65 -0.456 -4.213 5.495 1.00 0.00 C ATOM 978 O ASN A 65 -0.895 -4.719 6.527 1.00 0.00 O ATOM 979 CB ASN A 65 -1.976 -2.254 5.826 1.00 0.00 C ATOM 980 CG ASN A 65 -1.916 -0.801 6.256 1.00 0.00 C ATOM 981 OD1 ASN A 65 -0.838 -0.217 6.360 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.079 -0.210 6.508 1.00 0.00 N ATOM 0 H ASN A 65 0.014 -1.797 3.449 1.00 0.00 H new ATOM 0 HA ASN A 65 0.163 -2.171 5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.787 -2.385 5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.210 -2.876 6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.102 0.767 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.949 -0.733 6.409 1.00 0.00 H new ATOM 989 N GLY A 66 0.218 -4.905 4.580 1.00 0.00 N ATOM 990 CA GLY A 66 0.473 -6.322 4.761 1.00 0.00 C ATOM 991 C GLY A 66 -0.743 -7.174 4.459 1.00 0.00 C ATOM 992 O GLY A 66 -0.779 -8.357 4.794 1.00 0.00 O ATOM 0 H GLY A 66 0.591 -4.509 3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.295 -6.626 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.793 -6.502 5.787 1.00 0.00 H new ATOM 996 N GLU A 67 -1.744 -6.570 3.825 1.00 0.00 N ATOM 997 CA GLU A 67 -2.969 -7.282 3.480 1.00 0.00 C ATOM 998 C GLU A 67 -3.074 -7.484 1.971 1.00 0.00 C ATOM 999 O GLU A 67 -3.342 -6.542 1.225 1.00 0.00 O ATOM 1000 CB GLU A 67 -4.191 -6.515 3.989 1.00 0.00 C ATOM 1001 CG GLU A 67 -4.067 -6.062 5.434 1.00 0.00 C ATOM 1002 CD GLU A 67 -5.414 -5.826 6.089 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -6.307 -6.686 5.937 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -5.576 -4.781 6.753 1.00 0.00 O ATOM 0 H GLU A 67 -1.730 -5.591 3.540 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.938 -8.261 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.351 -5.642 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.073 -7.147 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.518 -6.814 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.482 -5.143 5.474 1.00 0.00 H new ATOM 1011 N SER A 68 -2.861 -8.719 1.529 1.00 0.00 N ATOM 1012 CA SER A 68 -2.927 -9.045 0.110 1.00 0.00 C ATOM 1013 C SER A 68 -3.993 -8.208 -0.591 1.00 0.00 C ATOM 1014 O SER A 68 -5.172 -8.261 -0.240 1.00 0.00 O ATOM 1015 CB SER A 68 -3.225 -10.534 -0.080 1.00 0.00 C ATOM 1016 OG SER A 68 -2.206 -11.335 0.492 1.00 0.00 O ATOM 0 H SER A 68 -2.641 -9.510 2.134 1.00 0.00 H new ATOM 0 HA SER A 68 -1.959 -8.816 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.184 -10.778 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.314 -10.758 -1.143 1.00 0.00 H new ATOM 0 HG SER A 68 -2.421 -12.282 0.359 1.00 0.00 H new ATOM 1022 N THR A 69 -3.569 -7.435 -1.586 1.00 0.00 N ATOM 1023 CA THR A 69 -4.485 -6.585 -2.336 1.00 0.00 C ATOM 1024 C THR A 69 -5.179 -7.368 -3.445 1.00 0.00 C ATOM 1025 O THR A 69 -5.075 -7.022 -4.621 1.00 0.00 O ATOM 1026 CB THR A 69 -3.753 -5.379 -2.956 1.00 0.00 C ATOM 1027 OG1 THR A 69 -2.850 -5.825 -3.974 1.00 0.00 O ATOM 1028 CG2 THR A 69 -2.987 -4.607 -1.893 1.00 0.00 C ATOM 0 H THR A 69 -2.597 -7.380 -1.891 1.00 0.00 H new ATOM 0 HA THR A 69 -5.231 -6.224 -1.628 1.00 0.00 H new ATOM 0 HB THR A 69 -4.498 -4.717 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.224 -6.475 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.478 -3.760 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.682 -4.244 -1.135 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.251 -5.262 -1.427 1.00 0.00 H new ATOM 1036 N ARG A 70 -5.888 -8.425 -3.062 1.00 0.00 N ATOM 1037 CA ARG A 70 -6.598 -9.258 -4.024 1.00 0.00 C ATOM 1038 C ARG A 70 -8.098 -9.257 -3.741 1.00 0.00 C ATOM 1039 O ARG A 70 -8.523 -9.126 -2.593 1.00 0.00 O ATOM 1040 CB ARG A 70 -6.062 -10.691 -3.985 1.00 0.00 C ATOM 1041 CG ARG A 70 -5.952 -11.262 -2.581 1.00 0.00 C ATOM 1042 CD ARG A 70 -5.595 -12.740 -2.607 1.00 0.00 C ATOM 1043 NE ARG A 70 -5.585 -13.324 -1.269 1.00 0.00 N ATOM 1044 CZ ARG A 70 -5.217 -14.576 -1.017 1.00 0.00 C ATOM 1045 NH1 ARG A 70 -4.832 -15.370 -2.006 1.00 0.00 N ATOM 1046 NH2 ARG A 70 -5.235 -15.035 0.228 1.00 0.00 N ATOM 0 H ARG A 70 -5.986 -8.724 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.432 -8.843 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.716 -11.331 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.079 -10.715 -4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.194 -10.713 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.897 -11.124 -2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.311 -13.275 -3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.615 -12.868 -3.066 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.876 -12.740 -0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.817 -15.021 -2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.550 -16.330 -1.809 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.531 -14.427 0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.953 -15.996 0.421 1.00 0.00 H new ATOM 1060 N ASP A 71 -8.893 -9.404 -4.795 1.00 0.00 N ATOM 1061 CA ASP A 71 -10.345 -9.421 -4.660 1.00 0.00 C ATOM 1062 C ASP A 71 -10.825 -8.254 -3.803 1.00 0.00 C ATOM 1063 O ASP A 71 -11.865 -8.337 -3.151 1.00 0.00 O ATOM 1064 CB ASP A 71 -10.807 -10.744 -4.047 1.00 0.00 C ATOM 1065 CG ASP A 71 -10.660 -11.909 -5.006 1.00 0.00 C ATOM 1066 OD1 ASP A 71 -11.130 -11.793 -6.157 1.00 0.00 O ATOM 1067 OD2 ASP A 71 -10.075 -12.938 -4.605 1.00 0.00 O ATOM 0 H ASP A 71 -8.557 -9.513 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.778 -9.320 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.229 -10.945 -3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.850 -10.656 -3.744 1.00 0.00 H new ATOM 1072 N MET A 72 -10.059 -7.168 -3.808 1.00 0.00 N ATOM 1073 CA MET A 72 -10.406 -5.984 -3.031 1.00 0.00 C ATOM 1074 C MET A 72 -10.915 -4.868 -3.938 1.00 0.00 C ATOM 1075 O MET A 72 -10.563 -4.802 -5.116 1.00 0.00 O ATOM 1076 CB MET A 72 -9.194 -5.497 -2.234 1.00 0.00 C ATOM 1077 CG MET A 72 -8.424 -6.618 -1.554 1.00 0.00 C ATOM 1078 SD MET A 72 -7.473 -6.044 -0.133 1.00 0.00 S ATOM 1079 CE MET A 72 -6.931 -4.439 -0.715 1.00 0.00 C ATOM 0 H MET A 72 -9.194 -7.084 -4.342 1.00 0.00 H new ATOM 0 HA MET A 72 -11.202 -6.256 -2.338 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.522 -4.959 -2.903 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.528 -4.786 -1.478 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.123 -7.390 -1.231 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.750 -7.080 -2.275 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.103 -4.089 -0.099 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.603 -4.519 -1.751 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.757 -3.730 -0.649 1.00 0.00 H new ATOM 1089 N THR A 73 -11.746 -3.992 -3.381 1.00 0.00 N ATOM 1090 CA THR A 73 -12.304 -2.880 -4.140 1.00 0.00 C ATOM 1091 C THR A 73 -11.653 -1.561 -3.741 1.00 0.00 C ATOM 1092 O THR A 73 -11.296 -1.359 -2.580 1.00 0.00 O ATOM 1093 CB THR A 73 -13.827 -2.771 -3.938 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.134 -2.738 -2.540 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.546 -3.941 -4.592 1.00 0.00 C ATOM 0 H THR A 73 -12.047 -4.031 -2.407 1.00 0.00 H new ATOM 0 HA THR A 73 -12.098 -3.079 -5.192 1.00 0.00 H new ATOM 0 HB THR A 73 -14.168 -1.848 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.104 -2.667 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.620 -3.841 -4.436 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.334 -3.947 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.200 -4.875 -4.149 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.503 -0.664 -4.711 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.896 0.638 -4.459 1.00 0.00 C ATOM 1105 C HIS A 74 -11.306 1.174 -3.091 1.00 0.00 C ATOM 1106 O HIS A 74 -10.525 1.846 -2.418 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.299 1.631 -5.550 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.467 2.877 -5.563 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.814 4.006 -6.274 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.298 3.167 -4.945 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.894 4.937 -6.094 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.963 4.453 -5.292 1.00 0.00 N ATOM 0 H HIS A 74 -11.793 -0.815 -5.677 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.813 0.515 -4.471 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.222 1.142 -6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.345 1.904 -5.413 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -11.650 4.107 -6.849 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.734 2.510 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.902 5.926 -6.529 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.535 0.872 -2.686 1.00 0.00 N ATOM 1122 CA ALA A 75 -13.047 1.322 -1.398 1.00 0.00 C ATOM 1123 C ALA A 75 -12.250 0.716 -0.248 1.00 0.00 C ATOM 1124 O ALA A 75 -11.857 1.417 0.685 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.521 0.969 -1.264 1.00 0.00 C ATOM 0 H ALA A 75 -13.195 0.317 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.938 2.405 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.891 1.311 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.085 1.454 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.645 -0.111 -1.338 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.015 -0.590 -0.321 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.266 -1.290 0.716 1.00 0.00 C ATOM 1133 C ARG A 76 -9.907 -0.633 0.942 1.00 0.00 C ATOM 1134 O ARG A 76 -9.634 -0.106 2.020 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.076 -2.759 0.334 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.038 -3.479 1.178 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.384 -3.418 2.658 1.00 0.00 C ATOM 1138 NE ARG A 76 -9.890 -4.585 3.384 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.389 -4.993 4.545 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.391 -4.333 5.109 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -9.886 -6.065 5.145 1.00 0.00 N ATOM 0 H ARG A 76 -12.332 -1.184 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.837 -1.233 1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.031 -3.276 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.784 -2.818 -0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.969 -4.520 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.058 -3.030 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.958 -2.514 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.466 -3.349 2.775 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.120 -5.116 2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.781 -3.509 4.651 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.772 -4.649 6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.116 -6.576 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.270 -6.378 6.037 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.060 -0.670 -0.081 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.731 -0.078 0.006 1.00 0.00 C ATOM 1157 C ALA A 77 -7.789 1.313 0.630 1.00 0.00 C ATOM 1158 O ALA A 77 -6.865 1.729 1.328 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.091 -0.013 -1.373 1.00 0.00 C ATOM 0 H ALA A 77 -9.271 -1.104 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.120 -0.711 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.099 0.431 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.006 -1.020 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.709 0.596 -2.033 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.881 2.026 0.373 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.059 3.369 0.910 1.00 0.00 C ATOM 1167 C ILE A 78 -9.295 3.332 2.416 1.00 0.00 C ATOM 1168 O ILE A 78 -8.896 4.245 3.139 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.238 4.093 0.235 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.930 4.350 -1.242 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.539 5.400 0.954 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.152 5.625 -1.484 1.00 0.00 C ATOM 0 H ILE A 78 -9.655 1.696 -0.203 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.140 3.916 0.702 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.120 3.455 0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.364 3.507 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.867 4.394 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.375 5.900 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.797 5.193 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.661 6.044 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.969 5.743 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.726 6.476 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.199 5.576 -0.956 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.944 2.269 2.882 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.231 2.113 4.303 1.00 0.00 C ATOM 1186 C GLU A 79 -9.038 1.508 5.037 1.00 0.00 C ATOM 1187 O GLU A 79 -8.874 1.698 6.243 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.466 1.233 4.503 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.137 -0.230 4.750 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.371 -1.067 5.026 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.406 -0.833 4.366 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.303 -1.954 5.902 1.00 0.00 O ATOM 0 H GLU A 79 -10.280 1.504 2.297 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.427 3.102 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.041 1.615 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.103 1.310 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.616 -0.633 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.454 -0.307 5.596 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.207 0.779 4.301 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.028 0.144 4.880 1.00 0.00 C ATOM 1201 C LEU A 80 -6.003 1.189 5.310 1.00 0.00 C ATOM 1202 O LEU A 80 -5.363 1.053 6.353 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.398 -0.821 3.874 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.196 -2.089 3.570 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.367 -3.056 2.740 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.658 -2.751 4.860 1.00 0.00 C ATOM 0 H LEU A 80 -8.328 0.613 3.302 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.342 -0.414 5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.236 -0.285 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.417 -1.114 4.247 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.077 -1.810 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.952 -3.952 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.087 -2.581 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.467 -3.329 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.224 -3.652 4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.790 -3.016 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.291 -2.060 5.417 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.854 2.232 4.500 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.909 3.302 4.799 1.00 0.00 C ATOM 1220 C ILE A 81 -5.297 4.036 6.078 1.00 0.00 C ATOM 1221 O ILE A 81 -4.438 4.537 6.804 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.825 4.317 3.643 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.576 3.594 2.318 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.726 5.334 3.912 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -4.980 4.401 1.104 1.00 0.00 C ATOM 0 H ILE A 81 -6.375 2.359 3.632 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.934 2.834 4.933 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.775 4.847 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.518 3.345 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.126 2.653 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.678 6.045 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.942 5.867 4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.769 4.820 4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.775 3.827 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.045 4.628 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.412 5.331 1.079 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.596 4.095 6.349 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.099 4.765 7.542 1.00 0.00 C ATOM 1239 C LYS A 82 -7.355 3.761 8.663 1.00 0.00 C ATOM 1240 O LYS A 82 -7.500 4.138 9.825 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.388 5.525 7.221 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.267 4.826 6.199 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.554 5.596 5.951 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.279 6.951 5.319 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.535 7.632 4.898 1.00 0.00 N ATOM 0 H LYS A 82 -7.320 3.687 5.758 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.341 5.473 7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.956 5.665 8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.132 6.517 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.721 4.717 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.505 3.821 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.207 5.015 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.084 5.734 6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.745 7.581 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.628 6.823 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.305 8.552 4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.033 7.042 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.146 7.777 5.727 1.00 0.00 H new ATOM 1259 N SER A 83 -7.408 2.482 8.305 1.00 0.00 N ATOM 1260 CA SER A 83 -7.649 1.425 9.280 1.00 0.00 C ATOM 1261 C SER A 83 -6.398 1.158 10.111 1.00 0.00 C ATOM 1262 O SER A 83 -6.483 0.842 11.297 1.00 0.00 O ATOM 1263 CB SER A 83 -8.089 0.141 8.573 1.00 0.00 C ATOM 1264 OG SER A 83 -8.401 -0.875 9.510 1.00 0.00 O ATOM 0 H SER A 83 -7.287 2.153 7.347 1.00 0.00 H new ATOM 0 HA SER A 83 -8.445 1.755 9.948 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.960 0.345 7.950 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.296 -0.203 7.909 1.00 0.00 H new ATOM 0 HG SER A 83 -8.681 -1.685 9.034 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.235 1.288 9.479 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.983 1.058 10.174 1.00 0.00 C ATOM 1272 C GLY A 84 -3.664 2.153 11.172 1.00 0.00 C ATOM 1273 O GLY A 84 -3.174 1.881 12.268 1.00 0.00 O ATOM 0 H GLY A 84 -5.138 1.549 8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.030 0.100 10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.175 0.987 9.446 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.940 3.397 10.793 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.671 4.518 11.673 1.00 0.00 C ATOM 1279 C GLY A 85 -2.941 5.645 10.970 1.00 0.00 C ATOM 1280 O GLY A 85 -3.373 6.112 9.916 1.00 0.00 O ATOM 0 H GLY A 85 -4.345 3.648 9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.612 4.894 12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.076 4.176 12.520 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.831 6.085 11.555 1.00 0.00 N ATOM 1285 CA ARG A 86 -1.041 7.167 10.979 1.00 0.00 C ATOM 1286 C ARG A 86 0.086 6.615 10.111 1.00 0.00 C ATOM 1287 O ARG A 86 0.645 7.326 9.276 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.462 8.049 12.086 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.324 9.256 12.418 1.00 0.00 C ATOM 1290 CD ARG A 86 -1.186 9.654 13.879 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.709 10.994 14.132 1.00 0.00 N ATOM 1292 CZ ARG A 86 -1.080 12.108 13.776 1.00 0.00 C ATOM 1293 NH1 ARG A 86 0.089 12.044 13.155 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -1.620 13.291 14.042 1.00 0.00 N ATOM 0 H ARG A 86 -1.459 5.709 12.427 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.698 7.769 10.351 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.331 7.448 12.986 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.528 8.392 11.785 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.038 10.094 11.783 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.368 9.031 12.198 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.716 8.934 14.503 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.136 9.614 14.168 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.607 11.079 14.608 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.508 11.137 12.949 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.570 12.902 12.883 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.519 13.345 14.520 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.136 14.146 13.768 1.00 0.00 H new ATOM 1308 N ARG A 87 0.414 5.343 10.315 1.00 0.00 N ATOM 1309 CA ARG A 87 1.475 4.696 9.553 1.00 0.00 C ATOM 1310 C ARG A 87 0.899 3.671 8.581 1.00 0.00 C ATOM 1311 O ARG A 87 0.197 2.743 8.985 1.00 0.00 O ATOM 1312 CB ARG A 87 2.469 4.018 10.497 1.00 0.00 C ATOM 1313 CG ARG A 87 3.014 4.942 11.575 1.00 0.00 C ATOM 1314 CD ARG A 87 3.465 4.163 12.800 1.00 0.00 C ATOM 1315 NE ARG A 87 2.355 3.875 13.705 1.00 0.00 N ATOM 1316 CZ ARG A 87 2.516 3.485 14.965 1.00 0.00 C ATOM 1317 NH1 ARG A 87 3.735 3.338 15.466 1.00 0.00 N ATOM 1318 NH2 ARG A 87 1.457 3.242 15.726 1.00 0.00 N ATOM 0 H ARG A 87 -0.040 4.740 11.002 1.00 0.00 H new ATOM 0 HA ARG A 87 1.995 5.463 8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.982 3.166 10.972 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.301 3.625 9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.853 5.513 11.176 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.246 5.661 11.862 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.928 3.228 12.485 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.227 4.733 13.331 1.00 0.00 H new ATOM 0 HE ARG A 87 1.404 3.979 13.350 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.552 3.524 14.884 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.856 3.039 16.434 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.518 3.354 15.344 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.582 2.943 16.693 1.00 0.00 H new ATOM 1332 N VAL A 88 1.200 3.844 7.298 1.00 0.00 N ATOM 1333 CA VAL A 88 0.713 2.933 6.269 1.00 0.00 C ATOM 1334 C VAL A 88 1.868 2.330 5.478 1.00 0.00 C ATOM 1335 O VAL A 88 2.695 3.051 4.920 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.244 3.647 5.296 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.463 4.801 4.601 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.802 2.662 4.279 1.00 0.00 C ATOM 0 H VAL A 88 1.779 4.607 6.946 1.00 0.00 H new ATOM 0 HA VAL A 88 0.172 2.137 6.780 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.077 4.055 5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.229 5.293 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.809 5.518 5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.317 4.420 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.476 3.183 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.018 2.222 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.348 1.874 4.797 1.00 0.00 H new ATOM 1348 N ARG A 89 1.918 1.003 5.433 1.00 0.00 N ATOM 1349 CA ARG A 89 2.972 0.302 4.710 1.00 0.00 C ATOM 1350 C ARG A 89 2.387 -0.552 3.589 1.00 0.00 C ATOM 1351 O ARG A 89 1.694 -1.539 3.842 1.00 0.00 O ATOM 1352 CB ARG A 89 3.779 -0.577 5.668 1.00 0.00 C ATOM 1353 CG ARG A 89 4.682 -1.576 4.963 1.00 0.00 C ATOM 1354 CD ARG A 89 5.077 -2.718 5.886 1.00 0.00 C ATOM 1355 NE ARG A 89 4.138 -3.834 5.808 1.00 0.00 N ATOM 1356 CZ ARG A 89 4.159 -4.746 4.841 1.00 0.00 C ATOM 1357 NH1 ARG A 89 5.066 -4.674 3.877 1.00 0.00 N ATOM 1358 NH2 ARG A 89 3.271 -5.732 4.839 1.00 0.00 N ATOM 0 H ARG A 89 1.241 0.392 5.889 1.00 0.00 H new ATOM 0 HA ARG A 89 3.633 1.048 4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.388 0.062 6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.091 -1.117 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.171 -1.975 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.578 -1.069 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.076 -3.066 5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.124 -2.355 6.913 1.00 0.00 H new ATOM 0 HE ARG A 89 3.428 -3.918 6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.750 -3.917 3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.080 -5.375 3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.572 -5.790 5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.287 -6.432 4.097 1.00 0.00 H new ATOM 1372 N LEU A 90 2.671 -0.167 2.350 1.00 0.00 N ATOM 1373 CA LEU A 90 2.173 -0.897 1.189 1.00 0.00 C ATOM 1374 C LEU A 90 3.319 -1.297 0.265 1.00 0.00 C ATOM 1375 O LEU A 90 4.310 -0.577 0.140 1.00 0.00 O ATOM 1376 CB LEU A 90 1.159 -0.046 0.423 1.00 0.00 C ATOM 1377 CG LEU A 90 1.360 1.468 0.499 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.962 2.126 -0.813 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.563 2.055 1.655 1.00 0.00 C ATOM 0 H LEU A 90 3.243 0.646 2.123 1.00 0.00 H new ATOM 0 HA LEU A 90 1.683 -1.804 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.183 -0.343 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.162 -0.279 0.797 1.00 0.00 H new ATOM 0 HG LEU A 90 2.417 1.666 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.112 3.203 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.576 1.728 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.088 1.919 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.718 3.133 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.497 1.846 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.896 1.607 2.591 1.00 0.00 H new ATOM 1391 N LEU A 91 3.175 -2.448 -0.382 1.00 0.00 N ATOM 1392 CA LEU A 91 4.197 -2.944 -1.298 1.00 0.00 C ATOM 1393 C LEU A 91 4.022 -2.341 -2.688 1.00 0.00 C ATOM 1394 O LEU A 91 3.042 -2.622 -3.379 1.00 0.00 O ATOM 1395 CB LEU A 91 4.138 -4.470 -1.381 1.00 0.00 C ATOM 1396 CG LEU A 91 5.386 -5.161 -1.933 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.210 -6.671 -1.920 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.690 -4.669 -3.340 1.00 0.00 C ATOM 0 H LEU A 91 2.361 -3.056 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 91 5.171 -2.644 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.942 -4.861 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.288 -4.747 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 91 6.231 -4.909 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.108 -7.145 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.042 -7.009 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.354 -6.943 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.581 -5.171 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.846 -4.890 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.861 -3.593 -3.320 1.00 0.00 H new ATOM 1410 N LEU A 92 4.978 -1.512 -3.092 1.00 0.00 N ATOM 1411 CA LEU A 92 4.931 -0.870 -4.401 1.00 0.00 C ATOM 1412 C LEU A 92 6.201 -1.158 -5.195 1.00 0.00 C ATOM 1413 O LEU A 92 7.273 -1.358 -4.622 1.00 0.00 O ATOM 1414 CB LEU A 92 4.746 0.640 -4.244 1.00 0.00 C ATOM 1415 CG LEU A 92 4.154 1.373 -5.449 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.640 1.237 -5.465 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.559 2.840 -5.433 1.00 0.00 C ATOM 0 H LEU A 92 5.795 -1.269 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 92 4.082 -1.279 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.102 0.819 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.715 1.083 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 92 4.549 0.917 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.236 1.765 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.370 0.183 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.226 1.666 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.129 3.346 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.193 3.309 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.646 2.918 -5.471 1.00 0.00 H new ATOM 1429 N LYS A 93 6.075 -1.177 -6.517 1.00 0.00 N ATOM 1430 CA LYS A 93 7.212 -1.437 -7.392 1.00 0.00 C ATOM 1431 C LYS A 93 7.240 -0.452 -8.557 1.00 0.00 C ATOM 1432 O LYS A 93 6.239 -0.267 -9.248 1.00 0.00 O ATOM 1433 CB LYS A 93 7.156 -2.871 -7.923 1.00 0.00 C ATOM 1434 CG LYS A 93 6.112 -3.077 -9.008 1.00 0.00 C ATOM 1435 CD LYS A 93 5.685 -4.532 -9.101 1.00 0.00 C ATOM 1436 CE LYS A 93 4.390 -4.684 -9.884 1.00 0.00 C ATOM 1437 NZ LYS A 93 3.869 -6.077 -9.829 1.00 0.00 N ATOM 0 H LYS A 93 5.195 -1.015 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 93 8.124 -1.308 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.136 -3.142 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.946 -3.548 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.242 -2.454 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.514 -2.753 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.472 -5.113 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.555 -4.939 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.641 -4.000 -9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.558 -4.400 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.635 -6.398 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.593 -6.703 -9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.014 -6.105 -9.237 1.00 0.00 H new ATOM 1451 N ARG A 94 8.392 0.175 -8.768 1.00 0.00 N ATOM 1452 CA ARG A 94 8.549 1.140 -9.850 1.00 0.00 C ATOM 1453 C ARG A 94 8.758 0.431 -11.185 1.00 0.00 C ATOM 1454 O ARG A 94 9.448 -0.585 -11.258 1.00 0.00 O ATOM 1455 CB ARG A 94 9.729 2.071 -9.564 1.00 0.00 C ATOM 1456 CG ARG A 94 10.017 3.052 -10.688 1.00 0.00 C ATOM 1457 CD ARG A 94 9.155 4.300 -10.573 1.00 0.00 C ATOM 1458 NE ARG A 94 9.822 5.478 -11.119 1.00 0.00 N ATOM 1459 CZ ARG A 94 9.897 5.744 -12.419 1.00 0.00 C ATOM 1460 NH1 ARG A 94 9.349 4.919 -13.300 1.00 0.00 N ATOM 1461 NH2 ARG A 94 10.521 6.837 -12.839 1.00 0.00 N ATOM 0 H ARG A 94 9.230 0.033 -8.205 1.00 0.00 H new ATOM 0 HA ARG A 94 7.635 1.731 -9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.528 2.629 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.619 1.469 -9.381 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.070 3.333 -10.667 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.835 2.570 -11.649 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.214 4.140 -11.099 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.909 4.475 -9.526 1.00 0.00 H new ATOM 0 HE ARG A 94 10.254 6.133 -10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.868 4.078 -12.981 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.408 5.125 -14.297 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.944 7.474 -12.164 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.578 7.040 -13.837 1.00 0.00 H new ATOM 1475 N GLY A 95 8.158 0.976 -12.239 1.00 0.00 N ATOM 1476 CA GLY A 95 8.290 0.382 -13.556 1.00 0.00 C ATOM 1477 C GLY A 95 9.526 0.865 -14.288 1.00 0.00 C ATOM 1478 O GLY A 95 9.504 1.053 -15.505 1.00 0.00 O ATOM 0 H GLY A 95 7.583 1.818 -12.204 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.329 -0.703 -13.460 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.406 0.618 -14.148 1.00 0.00 H new ATOM 1482 N THR A 96 10.610 1.068 -13.546 1.00 0.00 N ATOM 1483 CA THR A 96 11.861 1.534 -14.130 1.00 0.00 C ATOM 1484 C THR A 96 12.652 0.378 -14.732 1.00 0.00 C ATOM 1485 O THR A 96 13.407 0.560 -15.686 1.00 0.00 O ATOM 1486 CB THR A 96 12.737 2.251 -13.085 1.00 0.00 C ATOM 1487 OG1 THR A 96 13.887 2.823 -13.719 1.00 0.00 O ATOM 1488 CG2 THR A 96 13.180 1.286 -11.996 1.00 0.00 C ATOM 0 H THR A 96 10.646 0.917 -12.538 1.00 0.00 H new ATOM 0 HA THR A 96 11.597 2.240 -14.918 1.00 0.00 H new ATOM 0 HB THR A 96 12.143 3.042 -12.628 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.438 3.278 -13.048 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.797 1.815 -11.270 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.303 0.875 -11.496 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.757 0.476 -12.441 1.00 0.00 H new ATOM 1496 N GLY A 97 12.472 -0.813 -14.168 1.00 0.00 N ATOM 1497 CA GLY A 97 13.175 -1.982 -14.664 1.00 0.00 C ATOM 1498 C GLY A 97 14.549 -2.137 -14.043 1.00 0.00 C ATOM 1499 O GLY A 97 14.967 -1.314 -13.229 1.00 0.00 O ATOM 0 H GLY A 97 11.852 -0.989 -13.377 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.583 -2.874 -14.457 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.275 -1.910 -15.747 1.00 0.00 H new ATOM 1503 N SER A 98 15.253 -3.197 -14.427 1.00 0.00 N ATOM 1504 CA SER A 98 16.587 -3.461 -13.899 1.00 0.00 C ATOM 1505 C SER A 98 17.645 -2.701 -14.692 1.00 0.00 C ATOM 1506 O SER A 98 18.840 -2.810 -14.417 1.00 0.00 O ATOM 1507 CB SER A 98 16.885 -4.961 -13.936 1.00 0.00 C ATOM 1508 OG SER A 98 16.585 -5.510 -15.208 1.00 0.00 O ATOM 0 H SER A 98 14.922 -3.887 -15.102 1.00 0.00 H new ATOM 0 HA SER A 98 16.617 -3.117 -12.865 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.936 -5.132 -13.701 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.300 -5.470 -13.170 1.00 0.00 H new ATOM 0 HG SER A 98 16.786 -6.469 -15.206 1.00 0.00 H new ATOM 1514 N GLY A 99 17.197 -1.930 -15.678 1.00 0.00 N ATOM 1515 CA GLY A 99 18.118 -1.163 -16.497 1.00 0.00 C ATOM 1516 C GLY A 99 17.935 -1.427 -17.978 1.00 0.00 C ATOM 1517 O GLY A 99 16.876 -1.866 -18.426 1.00 0.00 O ATOM 0 H GLY A 99 16.213 -1.823 -15.924 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.976 -0.100 -16.300 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.142 -1.406 -16.212 1.00 0.00 H new ATOM 1521 N PRO A 100 18.987 -1.156 -18.766 1.00 0.00 N ATOM 1522 CA PRO A 100 18.962 -1.359 -20.217 1.00 0.00 C ATOM 1523 C PRO A 100 18.935 -2.836 -20.596 1.00 0.00 C ATOM 1524 O PRO A 100 19.886 -3.572 -20.330 1.00 0.00 O ATOM 1525 CB PRO A 100 20.266 -0.710 -20.688 1.00 0.00 C ATOM 1526 CG PRO A 100 21.169 -0.770 -19.505 1.00 0.00 C ATOM 1527 CD PRO A 100 20.281 -0.631 -18.299 1.00 0.00 C ATOM 0 HA PRO A 100 18.068 -0.933 -20.673 1.00 0.00 H new ATOM 0 HB2 PRO A 100 20.690 -1.246 -21.537 1.00 0.00 H new ATOM 0 HB3 PRO A 100 20.103 0.319 -21.009 1.00 0.00 H new ATOM 0 HG2 PRO A 100 21.717 -1.712 -19.480 1.00 0.00 H new ATOM 0 HG3 PRO A 100 21.910 0.029 -19.538 1.00 0.00 H new ATOM 0 HD2 PRO A 100 20.663 -1.200 -17.451 1.00 0.00 H new ATOM 0 HD3 PRO A 100 20.201 0.407 -17.977 1.00 0.00 H new ATOM 1535 N SER A 101 17.841 -3.263 -21.218 1.00 0.00 N ATOM 1536 CA SER A 101 17.690 -4.653 -21.630 1.00 0.00 C ATOM 1537 C SER A 101 18.313 -4.884 -23.004 1.00 0.00 C ATOM 1538 O SER A 101 17.631 -4.817 -24.026 1.00 0.00 O ATOM 1539 CB SER A 101 16.210 -5.041 -21.657 1.00 0.00 C ATOM 1540 OG SER A 101 15.569 -4.691 -20.443 1.00 0.00 O ATOM 0 H SER A 101 17.046 -2.666 -21.448 1.00 0.00 H new ATOM 0 HA SER A 101 18.210 -5.279 -20.905 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.715 -4.542 -22.490 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.115 -6.114 -21.826 1.00 0.00 H new ATOM 0 HG SER A 101 14.624 -4.948 -20.486 1.00 0.00 H new ATOM 1546 N SER A 102 19.614 -5.155 -23.018 1.00 0.00 N ATOM 1547 CA SER A 102 20.331 -5.392 -24.265 1.00 0.00 C ATOM 1548 C SER A 102 21.640 -6.132 -24.007 1.00 0.00 C ATOM 1549 O SER A 102 22.346 -5.849 -23.040 1.00 0.00 O ATOM 1550 CB SER A 102 20.614 -4.066 -24.975 1.00 0.00 C ATOM 1551 OG SER A 102 21.303 -4.278 -26.195 1.00 0.00 O ATOM 0 H SER A 102 20.193 -5.216 -22.180 1.00 0.00 H new ATOM 0 HA SER A 102 19.703 -6.012 -24.904 1.00 0.00 H new ATOM 0 HB2 SER A 102 19.676 -3.546 -25.169 1.00 0.00 H new ATOM 0 HB3 SER A 102 21.207 -3.422 -24.326 1.00 0.00 H new ATOM 0 HG SER A 102 21.470 -3.416 -26.630 1.00 0.00 H new ATOM 1557 N GLY A 103 21.957 -7.083 -24.881 1.00 0.00 N ATOM 1558 CA GLY A 103 23.180 -7.850 -24.731 1.00 0.00 C ATOM 1559 C GLY A 103 23.222 -9.059 -25.644 1.00 0.00 C ATOM 1560 O GLY A 103 22.309 -9.275 -26.441 1.00 0.00 O ATOM 0 H GLY A 103 21.389 -7.336 -25.690 1.00 0.00 H new ATOM 0 HA2 GLY A 103 24.036 -7.209 -24.943 1.00 0.00 H new ATOM 0 HA3 GLY A 103 23.275 -8.177 -23.696 1.00 0.00 H new TER 1564 GLY A 103