USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 696 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 Single : A 25 LYS NZ :NH3+ -153:sc= -0.265 (180deg=-1.06) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -145:sc= -0.266 (180deg=-1.08) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 1.16 (180deg=0.605) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.06) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= -0.0301 (180deg=-0.208) USER MOD Single : A 63 THR OG1 : rot -98:sc= 0.0612 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -111:sc= -0.937 (180deg=-1.29) USER MOD Single : A 67 THR OG1 : rot -113:sc= 0.931 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 0:sc= 0.993 USER MOD Single : A 86 THR OG1 : rot -122:sc= 1.4 USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= -0.0331 (180deg=-0.183) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.17) USER MOD Single : A 101 SER OG : rot 91:sc= 0.0434 USER MOD Single : A 102 LYS NZ :NH3+ -113:sc= 2.24 (180deg=-0.0803) USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= -0.0536 (180deg=-0.381) USER MOD Single : A 106 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.36) USER MOD Single : A 113 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -161:sc= 1.16 (180deg=0.186!) USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 19 -2.851 -9.353 6.812 1.00 0.00 N ATOM 16 CA TRP A 19 -4.215 -8.926 6.556 1.00 0.00 C ATOM 17 C TRP A 19 -5.049 -10.090 6.015 1.00 0.00 C ATOM 18 O TRP A 19 -4.546 -11.204 5.853 1.00 0.00 O ATOM 19 CB TRP A 19 -4.239 -7.732 5.594 1.00 0.00 C ATOM 20 CG TRP A 19 -3.360 -7.878 4.386 1.00 0.00 C ATOM 21 CD1 TRP A 19 -2.752 -9.012 3.926 1.00 0.00 C ATOM 22 CD2 TRP A 19 -2.998 -6.836 3.478 1.00 0.00 C ATOM 23 NE1 TRP A 19 -2.011 -8.732 2.810 1.00 0.00 N ATOM 24 CE2 TRP A 19 -2.152 -7.403 2.507 1.00 0.00 C ATOM 25 CE3 TRP A 19 -3.305 -5.475 3.397 1.00 0.00 C ATOM 26 CZ2 TRP A 19 -1.609 -6.652 1.470 1.00 0.00 C ATOM 27 CZ3 TRP A 19 -2.769 -4.732 2.364 1.00 0.00 C ATOM 28 CH2 TRP A 19 -1.929 -5.321 1.413 1.00 0.00 C ATOM 0 HA TRP A 19 -4.659 -8.603 7.498 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.265 -7.572 5.262 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -3.937 -6.838 6.140 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.843 -9.989 4.378 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -1.446 -9.403 2.289 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.950 -5.013 4.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.958 -7.102 0.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.002 -3.680 2.289 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -1.524 -4.714 0.617 1.00 0.00 H new ATOM 39 N ASP A 20 -6.312 -9.816 5.730 1.00 0.00 N ATOM 40 CA ASP A 20 -7.275 -10.845 5.336 1.00 0.00 C ATOM 41 C ASP A 20 -8.218 -10.290 4.269 1.00 0.00 C ATOM 42 O ASP A 20 -8.258 -9.079 4.069 1.00 0.00 O ATOM 43 CB ASP A 20 -8.061 -11.302 6.578 1.00 0.00 C ATOM 44 CG ASP A 20 -9.255 -12.178 6.257 1.00 0.00 C ATOM 45 OD1 ASP A 20 -9.083 -13.406 6.132 1.00 0.00 O ATOM 46 OD2 ASP A 20 -10.378 -11.636 6.133 1.00 0.00 O ATOM 0 H ASP A 20 -6.704 -8.875 5.764 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.751 -11.703 4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.390 -11.848 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.403 -10.423 7.124 1.00 0.00 H new ATOM 51 N ASP A 21 -8.969 -11.171 3.597 1.00 0.00 N ATOM 52 CA ASP A 21 -9.927 -10.777 2.559 1.00 0.00 C ATOM 53 C ASP A 21 -10.750 -9.563 2.981 1.00 0.00 C ATOM 54 O ASP A 21 -10.888 -8.600 2.225 1.00 0.00 O ATOM 55 CB ASP A 21 -10.873 -11.941 2.249 1.00 0.00 C ATOM 56 CG ASP A 21 -10.191 -13.105 1.555 1.00 0.00 C ATOM 57 OD1 ASP A 21 -9.703 -14.017 2.255 1.00 0.00 O ATOM 58 OD2 ASP A 21 -10.164 -13.129 0.308 1.00 0.00 O ATOM 0 H ASP A 21 -8.929 -12.177 3.758 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.355 -10.512 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.320 -12.293 3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.687 -11.580 1.621 1.00 0.00 H new ATOM 63 N ALA A 22 -11.289 -9.610 4.192 1.00 0.00 N ATOM 64 CA ALA A 22 -12.070 -8.501 4.724 1.00 0.00 C ATOM 65 C ALA A 22 -11.159 -7.460 5.369 1.00 0.00 C ATOM 66 O ALA A 22 -11.364 -6.254 5.217 1.00 0.00 O ATOM 67 CB ALA A 22 -13.092 -9.009 5.730 1.00 0.00 C ATOM 0 H ALA A 22 -11.200 -10.405 4.825 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.600 -8.026 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.668 -8.169 6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.764 -9.715 5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.577 -9.507 6.551 1.00 0.00 H new ATOM 73 N ASP A 23 -10.148 -7.950 6.078 1.00 0.00 N ATOM 74 CA ASP A 23 -9.222 -7.107 6.839 1.00 0.00 C ATOM 75 C ASP A 23 -8.552 -6.045 5.962 1.00 0.00 C ATOM 76 O ASP A 23 -8.365 -4.910 6.400 1.00 0.00 O ATOM 77 CB ASP A 23 -8.166 -7.990 7.506 1.00 0.00 C ATOM 78 CG ASP A 23 -7.263 -7.236 8.462 1.00 0.00 C ATOM 79 OD1 ASP A 23 -7.598 -7.161 9.663 1.00 0.00 O ATOM 80 OD2 ASP A 23 -6.206 -6.747 8.025 1.00 0.00 O ATOM 0 H ASP A 23 -9.944 -8.947 6.144 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.796 -6.576 7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.665 -8.793 8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.555 -8.458 6.734 1.00 0.00 H new ATOM 85 N VAL A 24 -8.190 -6.410 4.731 1.00 0.00 N ATOM 86 CA VAL A 24 -7.583 -5.459 3.793 1.00 0.00 C ATOM 87 C VAL A 24 -8.469 -4.228 3.619 1.00 0.00 C ATOM 88 O VAL A 24 -8.026 -3.095 3.806 1.00 0.00 O ATOM 89 CB VAL A 24 -7.340 -6.091 2.400 1.00 0.00 C ATOM 90 CG1 VAL A 24 -6.749 -5.073 1.437 1.00 0.00 C ATOM 91 CG2 VAL A 24 -6.425 -7.297 2.506 1.00 0.00 C ATOM 0 H VAL A 24 -8.305 -7.353 4.360 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.623 -5.172 4.222 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.305 -6.418 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.588 -5.541 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.437 -4.235 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.798 -4.712 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.269 -7.724 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.466 -6.991 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.882 -8.044 3.155 1.00 0.00 H new ATOM 101 N LYS A 25 -9.729 -4.472 3.279 1.00 0.00 N ATOM 102 CA LYS A 25 -10.694 -3.407 3.055 1.00 0.00 C ATOM 103 C LYS A 25 -10.934 -2.642 4.350 1.00 0.00 C ATOM 104 O LYS A 25 -11.102 -1.421 4.352 1.00 0.00 O ATOM 105 CB LYS A 25 -12.005 -4.013 2.557 1.00 0.00 C ATOM 106 CG LYS A 25 -12.755 -3.147 1.567 1.00 0.00 C ATOM 107 CD LYS A 25 -11.992 -3.011 0.262 1.00 0.00 C ATOM 108 CE LYS A 25 -12.925 -2.688 -0.893 1.00 0.00 C ATOM 109 NZ LYS A 25 -13.980 -3.724 -1.062 1.00 0.00 N ATOM 0 H LYS A 25 -10.108 -5.410 3.152 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.305 -2.716 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.793 -4.976 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.650 -4.208 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.736 -3.580 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.921 -2.160 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.242 -2.226 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.458 -3.938 0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.393 -1.719 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.347 -2.605 -1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.289 -3.746 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.598 -4.655 -0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.791 -3.497 -0.452 1.00 0.00 H new ATOM 123 N LYS A 26 -10.941 -3.389 5.446 1.00 0.00 N ATOM 124 CA LYS A 26 -11.130 -2.837 6.778 1.00 0.00 C ATOM 125 C LYS A 26 -10.065 -1.789 7.095 1.00 0.00 C ATOM 126 O LYS A 26 -10.390 -0.679 7.512 1.00 0.00 O ATOM 127 CB LYS A 26 -11.082 -3.971 7.807 1.00 0.00 C ATOM 128 CG LYS A 26 -11.237 -3.527 9.250 1.00 0.00 C ATOM 129 CD LYS A 26 -11.041 -4.701 10.195 1.00 0.00 C ATOM 130 CE LYS A 26 -11.164 -4.287 11.650 1.00 0.00 C ATOM 131 NZ LYS A 26 -10.867 -5.420 12.564 1.00 0.00 N ATOM 0 H LYS A 26 -10.815 -4.401 5.434 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.102 -2.346 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.870 -4.687 7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.133 -4.497 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.511 -2.746 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.226 -3.095 9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.780 -5.472 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.059 -5.143 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.479 -3.464 11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.172 -3.918 11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.960 -5.104 13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.536 -6.195 12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.897 -5.755 12.398 1.00 0.00 H new ATOM 145 N ARG A 27 -8.799 -2.144 6.879 1.00 0.00 N ATOM 146 CA ARG A 27 -7.683 -1.252 7.191 1.00 0.00 C ATOM 147 C ARG A 27 -7.786 0.054 6.412 1.00 0.00 C ATOM 148 O ARG A 27 -7.607 1.134 6.977 1.00 0.00 O ATOM 149 CB ARG A 27 -6.336 -1.915 6.877 1.00 0.00 C ATOM 150 CG ARG A 27 -6.051 -3.170 7.682 1.00 0.00 C ATOM 151 CD ARG A 27 -4.630 -3.658 7.444 1.00 0.00 C ATOM 152 NE ARG A 27 -4.362 -4.929 8.113 1.00 0.00 N ATOM 153 CZ ARG A 27 -3.180 -5.279 8.620 1.00 0.00 C ATOM 154 NH1 ARG A 27 -2.160 -4.430 8.581 1.00 0.00 N ATOM 155 NH2 ARG A 27 -3.027 -6.476 9.179 1.00 0.00 N ATOM 0 H ARG A 27 -8.520 -3.044 6.489 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.738 -1.039 8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.306 -2.164 5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.539 -1.194 7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.197 -2.967 8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.759 -3.952 7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.461 -3.771 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.925 -2.907 7.800 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.131 -5.593 8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.280 -3.508 8.162 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.256 -4.700 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.813 -7.124 9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.123 -6.746 9.568 1.00 0.00 H new ATOM 169 N TRP A 28 -8.084 -0.057 5.122 1.00 0.00 N ATOM 170 CA TRP A 28 -8.145 1.102 4.234 1.00 0.00 C ATOM 171 C TRP A 28 -9.139 2.144 4.739 1.00 0.00 C ATOM 172 O TRP A 28 -8.878 3.347 4.684 1.00 0.00 O ATOM 173 CB TRP A 28 -8.540 0.672 2.817 1.00 0.00 C ATOM 174 CG TRP A 28 -7.499 -0.138 2.100 1.00 0.00 C ATOM 175 CD1 TRP A 28 -6.292 -0.563 2.582 1.00 0.00 C ATOM 176 CD2 TRP A 28 -7.583 -0.622 0.754 1.00 0.00 C ATOM 177 NE1 TRP A 28 -5.620 -1.270 1.617 1.00 0.00 N ATOM 178 CE2 TRP A 28 -6.393 -1.323 0.486 1.00 0.00 C ATOM 179 CE3 TRP A 28 -8.549 -0.528 -0.253 1.00 0.00 C ATOM 180 CZ2 TRP A 28 -6.144 -1.929 -0.742 1.00 0.00 C ATOM 181 CZ3 TRP A 28 -8.301 -1.129 -1.471 1.00 0.00 C ATOM 182 CH2 TRP A 28 -7.106 -1.820 -1.707 1.00 0.00 C ATOM 0 H TRP A 28 -8.289 -0.945 4.664 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.151 1.550 4.218 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -9.461 0.091 2.870 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -8.759 1.563 2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.921 -0.370 3.578 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.696 -1.688 1.724 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -9.472 0.005 -0.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.225 -2.465 -0.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -9.041 -1.065 -2.255 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.941 -2.276 -2.672 1.00 0.00 H new ATOM 193 N ASP A 29 -10.277 1.680 5.231 1.00 0.00 N ATOM 194 CA ASP A 29 -11.325 2.579 5.699 1.00 0.00 C ATOM 195 C ASP A 29 -11.095 2.997 7.147 1.00 0.00 C ATOM 196 O ASP A 29 -11.241 4.171 7.490 1.00 0.00 O ATOM 197 CB ASP A 29 -12.697 1.920 5.564 1.00 0.00 C ATOM 198 CG ASP A 29 -13.825 2.867 5.927 1.00 0.00 C ATOM 199 OD1 ASP A 29 -14.164 3.735 5.100 1.00 0.00 O ATOM 200 OD2 ASP A 29 -14.380 2.754 7.044 1.00 0.00 O ATOM 0 H ASP A 29 -10.500 0.688 5.317 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.292 3.472 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.832 1.572 4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.741 1.041 6.207 1.00 0.00 H new ATOM 205 N ALA A 30 -10.735 2.027 7.984 1.00 0.00 N ATOM 206 CA ALA A 30 -10.603 2.238 9.426 1.00 0.00 C ATOM 207 C ALA A 30 -9.701 3.419 9.760 1.00 0.00 C ATOM 208 O ALA A 30 -10.127 4.344 10.445 1.00 0.00 O ATOM 209 CB ALA A 30 -10.080 0.979 10.105 1.00 0.00 C ATOM 0 H ALA A 30 -10.527 1.075 7.684 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.599 2.468 9.803 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.988 1.155 11.177 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.774 0.157 9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.103 0.723 9.695 1.00 0.00 H new ATOM 215 N PHE A 31 -8.469 3.392 9.249 1.00 0.00 N ATOM 216 CA PHE A 31 -7.463 4.407 9.582 1.00 0.00 C ATOM 217 C PHE A 31 -7.923 5.811 9.207 1.00 0.00 C ATOM 218 O PHE A 31 -7.581 6.780 9.878 1.00 0.00 O ATOM 219 CB PHE A 31 -6.128 4.099 8.895 1.00 0.00 C ATOM 220 CG PHE A 31 -5.385 2.945 9.505 1.00 0.00 C ATOM 221 CD1 PHE A 31 -4.764 3.080 10.736 1.00 0.00 C ATOM 222 CD2 PHE A 31 -5.303 1.729 8.849 1.00 0.00 C ATOM 223 CE1 PHE A 31 -4.076 2.023 11.301 1.00 0.00 C ATOM 224 CE2 PHE A 31 -4.617 0.668 9.409 1.00 0.00 C ATOM 225 CZ PHE A 31 -4.003 0.816 10.637 1.00 0.00 C ATOM 0 H PHE A 31 -8.141 2.676 8.600 1.00 0.00 H new ATOM 0 HA PHE A 31 -7.326 4.374 10.663 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.313 3.885 7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.497 4.987 8.934 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.818 4.023 11.260 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.781 1.608 7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.596 2.142 12.261 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.561 -0.276 8.887 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.467 -0.012 11.077 1.00 0.00 H new ATOM 371 N MET A 42 2.395 7.230 9.238 1.00 0.00 N ATOM 372 CA MET A 42 2.709 6.133 8.347 1.00 0.00 C ATOM 373 C MET A 42 3.957 6.489 7.557 1.00 0.00 C ATOM 374 O MET A 42 3.878 7.098 6.493 1.00 0.00 O ATOM 375 CB MET A 42 1.539 5.829 7.407 1.00 0.00 C ATOM 376 CG MET A 42 1.762 4.601 6.536 1.00 0.00 C ATOM 377 SD MET A 42 0.323 4.186 5.530 1.00 0.00 S ATOM 378 CE MET A 42 -0.924 3.970 6.798 1.00 0.00 C ATOM 0 HA MET A 42 2.890 5.233 8.935 1.00 0.00 H new ATOM 0 HB2 MET A 42 0.635 5.685 7.999 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.365 6.693 6.765 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.618 4.775 5.884 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.013 3.751 7.171 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.610 3.177 6.502 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.444 3.702 7.739 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.478 4.900 6.926 1.00 0.00 H new ATOM 388 N THR A 43 5.107 6.155 8.123 1.00 0.00 N ATOM 389 CA THR A 43 6.388 6.515 7.539 1.00 0.00 C ATOM 390 C THR A 43 6.567 5.887 6.162 1.00 0.00 C ATOM 391 O THR A 43 6.073 4.789 5.897 1.00 0.00 O ATOM 392 CB THR A 43 7.546 6.064 8.445 1.00 0.00 C ATOM 393 OG1 THR A 43 7.150 6.164 9.817 1.00 0.00 O ATOM 394 CG2 THR A 43 8.787 6.914 8.212 1.00 0.00 C ATOM 0 H THR A 43 5.178 5.630 8.995 1.00 0.00 H new ATOM 0 HA THR A 43 6.401 7.600 7.439 1.00 0.00 H new ATOM 0 HB THR A 43 7.787 5.029 8.202 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.888 5.875 10.393 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.590 6.573 8.866 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.102 6.821 7.172 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.560 7.957 8.431 1.00 0.00 H new ATOM 402 N GLY A 44 7.299 6.583 5.305 1.00 0.00 N ATOM 403 CA GLY A 44 7.563 6.096 3.967 1.00 0.00 C ATOM 404 C GLY A 44 8.248 4.749 3.962 1.00 0.00 C ATOM 405 O GLY A 44 7.904 3.882 3.168 1.00 0.00 O ATOM 0 H GLY A 44 7.720 7.488 5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.624 6.023 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.186 6.818 3.438 1.00 0.00 H new ATOM 409 N LYS A 45 9.203 4.563 4.867 1.00 0.00 N ATOM 410 CA LYS A 45 9.924 3.300 4.944 1.00 0.00 C ATOM 411 C LYS A 45 9.047 2.224 5.582 1.00 0.00 C ATOM 412 O LYS A 45 9.292 1.031 5.418 1.00 0.00 O ATOM 413 CB LYS A 45 11.224 3.446 5.733 1.00 0.00 C ATOM 414 CG LYS A 45 12.166 2.269 5.531 1.00 0.00 C ATOM 415 CD LYS A 45 13.345 2.300 6.486 1.00 0.00 C ATOM 416 CE LYS A 45 12.911 2.063 7.923 1.00 0.00 C ATOM 417 NZ LYS A 45 14.068 1.766 8.803 1.00 0.00 N ATOM 0 H LYS A 45 9.493 5.263 5.550 1.00 0.00 H new ATOM 0 HA LYS A 45 10.176 3.001 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.727 4.365 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.992 3.543 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.615 1.339 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.533 2.273 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.069 1.539 6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.848 3.264 6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.387 2.944 8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.205 1.234 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.734 1.610 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.553 0.911 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.730 2.568 8.789 1.00 0.00 H new ATOM 431 N ASN A 46 8.023 2.649 6.309 1.00 0.00 N ATOM 432 CA ASN A 46 7.079 1.709 6.900 1.00 0.00 C ATOM 433 C ASN A 46 6.218 1.115 5.796 1.00 0.00 C ATOM 434 O ASN A 46 6.041 -0.101 5.714 1.00 0.00 O ATOM 435 CB ASN A 46 6.211 2.402 7.958 1.00 0.00 C ATOM 436 CG ASN A 46 5.199 1.465 8.597 1.00 0.00 C ATOM 437 OD1 ASN A 46 4.064 1.352 8.140 1.00 0.00 O ATOM 438 ND2 ASN A 46 5.608 0.790 9.664 1.00 0.00 N ATOM 0 H ASN A 46 7.825 3.631 6.503 1.00 0.00 H new ATOM 0 HA ASN A 46 7.627 0.910 7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.854 2.818 8.733 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.685 3.239 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.971 0.148 10.137 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.559 0.913 10.011 1.00 0.00 H new ATOM 445 N PHE A 47 5.718 1.989 4.931 1.00 0.00 N ATOM 446 CA PHE A 47 4.976 1.573 3.748 1.00 0.00 C ATOM 447 C PHE A 47 5.885 0.775 2.813 1.00 0.00 C ATOM 448 O PHE A 47 5.500 -0.273 2.300 1.00 0.00 O ATOM 449 CB PHE A 47 4.414 2.807 3.032 1.00 0.00 C ATOM 450 CG PHE A 47 3.634 2.504 1.782 1.00 0.00 C ATOM 451 CD1 PHE A 47 2.302 2.131 1.854 1.00 0.00 C ATOM 452 CD2 PHE A 47 4.232 2.602 0.536 1.00 0.00 C ATOM 453 CE1 PHE A 47 1.581 1.862 0.706 1.00 0.00 C ATOM 454 CE2 PHE A 47 3.516 2.335 -0.615 1.00 0.00 C ATOM 455 CZ PHE A 47 2.189 1.964 -0.531 1.00 0.00 C ATOM 0 H PHE A 47 5.815 3.000 5.029 1.00 0.00 H new ATOM 0 HA PHE A 47 4.146 0.933 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.770 3.350 3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.240 3.471 2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.822 2.049 2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.270 2.891 0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.543 1.572 0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.994 2.416 -1.580 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.627 1.754 -1.429 1.00 0.00 H new ATOM 465 N ASP A 48 7.099 1.283 2.621 1.00 0.00 N ATOM 466 CA ASP A 48 8.116 0.624 1.796 1.00 0.00 C ATOM 467 C ASP A 48 8.373 -0.808 2.261 1.00 0.00 C ATOM 468 O ASP A 48 8.462 -1.730 1.450 1.00 0.00 O ATOM 469 CB ASP A 48 9.416 1.442 1.842 1.00 0.00 C ATOM 470 CG ASP A 48 10.602 0.754 1.191 1.00 0.00 C ATOM 471 OD1 ASP A 48 10.774 0.890 -0.040 1.00 0.00 O ATOM 472 OD2 ASP A 48 11.392 0.114 1.919 1.00 0.00 O ATOM 0 H ASP A 48 7.409 2.164 3.032 1.00 0.00 H new ATOM 0 HA ASP A 48 7.750 0.573 0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.248 2.399 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.660 1.658 2.882 1.00 0.00 H new ATOM 477 N LYS A 49 8.436 -1.000 3.574 1.00 0.00 N ATOM 478 CA LYS A 49 8.794 -2.291 4.142 1.00 0.00 C ATOM 479 C LYS A 49 7.601 -3.232 4.112 1.00 0.00 C ATOM 480 O LYS A 49 7.715 -4.373 3.671 1.00 0.00 O ATOM 481 CB LYS A 49 9.301 -2.139 5.578 1.00 0.00 C ATOM 482 CG LYS A 49 9.915 -3.414 6.122 1.00 0.00 C ATOM 483 CD LYS A 49 10.289 -3.288 7.586 1.00 0.00 C ATOM 484 CE LYS A 49 10.924 -4.569 8.102 1.00 0.00 C ATOM 485 NZ LYS A 49 10.065 -5.755 7.844 1.00 0.00 N ATOM 0 H LYS A 49 8.243 -0.275 4.265 1.00 0.00 H new ATOM 0 HA LYS A 49 9.596 -2.712 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.042 -1.340 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.474 -1.836 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.211 -4.237 5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.803 -3.664 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.982 -2.457 7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.400 -3.057 8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.893 -4.712 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.106 -4.478 9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.319 -6.518 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.067 -5.497 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.208 -6.081 6.867 1.00 0.00 H new ATOM 499 N TRP A 50 6.457 -2.734 4.567 1.00 0.00 N ATOM 500 CA TRP A 50 5.210 -3.490 4.533 1.00 0.00 C ATOM 501 C TRP A 50 4.916 -3.967 3.111 1.00 0.00 C ATOM 502 O TRP A 50 4.401 -5.066 2.900 1.00 0.00 O ATOM 503 CB TRP A 50 4.072 -2.606 5.071 1.00 0.00 C ATOM 504 CG TRP A 50 2.695 -3.026 4.650 1.00 0.00 C ATOM 505 CD1 TRP A 50 1.904 -2.395 3.734 1.00 0.00 C ATOM 506 CD2 TRP A 50 1.941 -4.150 5.123 1.00 0.00 C ATOM 507 NE1 TRP A 50 0.712 -3.059 3.601 1.00 0.00 N ATOM 508 CE2 TRP A 50 0.710 -4.137 4.441 1.00 0.00 C ATOM 509 CE3 TRP A 50 2.185 -5.170 6.047 1.00 0.00 C ATOM 510 CZ2 TRP A 50 -0.268 -5.095 4.654 1.00 0.00 C ATOM 511 CZ3 TRP A 50 1.203 -6.122 6.258 1.00 0.00 C ATOM 512 CH2 TRP A 50 -0.007 -6.079 5.561 1.00 0.00 C ATOM 0 H TRP A 50 6.367 -1.800 4.968 1.00 0.00 H new ATOM 0 HA TRP A 50 5.298 -4.374 5.164 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.118 -2.602 6.160 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.240 -1.581 4.741 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.178 -1.502 3.192 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -0.049 -2.792 2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.120 -5.214 6.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.206 -5.063 4.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.375 -6.912 6.974 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.751 -6.840 5.744 1.00 0.00 H new ATOM 523 N LEU A 51 5.297 -3.152 2.136 1.00 0.00 N ATOM 524 CA LEU A 51 5.037 -3.467 0.740 1.00 0.00 C ATOM 525 C LEU A 51 6.069 -4.443 0.171 1.00 0.00 C ATOM 526 O LEU A 51 5.730 -5.318 -0.635 1.00 0.00 O ATOM 527 CB LEU A 51 5.005 -2.184 -0.092 1.00 0.00 C ATOM 528 CG LEU A 51 3.633 -1.805 -0.662 1.00 0.00 C ATOM 529 CD1 LEU A 51 3.152 -2.862 -1.646 1.00 0.00 C ATOM 530 CD2 LEU A 51 2.616 -1.616 0.455 1.00 0.00 C ATOM 0 H LEU A 51 5.786 -2.270 2.287 1.00 0.00 H new ATOM 0 HA LEU A 51 4.064 -3.955 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.363 -1.361 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.707 -2.290 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 51 3.736 -0.859 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.177 -2.576 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.864 -2.946 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.070 -3.822 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.650 -1.348 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.518 -2.544 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.951 -0.821 1.121 1.00 0.00 H new ATOM 542 N LYS A 52 7.326 -4.309 0.580 1.00 0.00 N ATOM 543 CA LYS A 52 8.380 -5.166 0.045 1.00 0.00 C ATOM 544 C LYS A 52 8.407 -6.520 0.750 1.00 0.00 C ATOM 545 O LYS A 52 8.732 -7.535 0.131 1.00 0.00 O ATOM 546 CB LYS A 52 9.750 -4.483 0.111 1.00 0.00 C ATOM 547 CG LYS A 52 10.271 -4.231 1.515 1.00 0.00 C ATOM 548 CD LYS A 52 11.467 -3.294 1.487 1.00 0.00 C ATOM 549 CE LYS A 52 11.964 -2.985 2.885 1.00 0.00 C ATOM 550 NZ LYS A 52 12.860 -1.802 2.899 1.00 0.00 N ATOM 0 H LYS A 52 7.638 -3.626 1.270 1.00 0.00 H new ATOM 0 HA LYS A 52 8.151 -5.342 -1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.473 -5.099 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.691 -3.530 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.480 -3.800 2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.555 -5.176 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.271 -3.746 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.192 -2.367 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.113 -2.805 3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.496 -3.850 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.414 -1.797 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.505 -1.845 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.290 -0.934 2.844 1.00 0.00 H new ATOM 564 N ASP A 53 8.071 -6.537 2.039 1.00 0.00 N ATOM 565 CA ASP A 53 7.942 -7.793 2.778 1.00 0.00 C ATOM 566 C ASP A 53 6.870 -8.660 2.135 1.00 0.00 C ATOM 567 O ASP A 53 7.052 -9.867 1.961 1.00 0.00 O ATOM 568 CB ASP A 53 7.596 -7.543 4.254 1.00 0.00 C ATOM 569 CG ASP A 53 8.814 -7.547 5.167 1.00 0.00 C ATOM 570 OD1 ASP A 53 9.433 -6.478 5.363 1.00 0.00 O ATOM 571 OD2 ASP A 53 9.146 -8.619 5.716 1.00 0.00 O ATOM 0 H ASP A 53 7.884 -5.700 2.591 1.00 0.00 H new ATOM 0 HA ASP A 53 8.902 -8.308 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.087 -6.583 4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.896 -8.308 4.590 1.00 0.00 H new ATOM 576 N ALA A 54 5.760 -8.026 1.757 1.00 0.00 N ATOM 577 CA ALA A 54 4.674 -8.710 1.062 1.00 0.00 C ATOM 578 C ALA A 54 5.129 -9.182 -0.317 1.00 0.00 C ATOM 579 O ALA A 54 4.697 -10.228 -0.804 1.00 0.00 O ATOM 580 CB ALA A 54 3.462 -7.797 0.938 1.00 0.00 C ATOM 0 H ALA A 54 5.591 -7.034 1.923 1.00 0.00 H new ATOM 0 HA ALA A 54 4.391 -9.585 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.662 -8.323 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.120 -7.509 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.735 -6.904 0.376 1.00 0.00 H new ATOM 586 N GLY A 55 6.000 -8.399 -0.948 1.00 0.00 N ATOM 587 CA GLY A 55 6.588 -8.810 -2.209 1.00 0.00 C ATOM 588 C GLY A 55 6.014 -8.081 -3.409 1.00 0.00 C ATOM 589 O GLY A 55 6.229 -8.496 -4.547 1.00 0.00 O ATOM 0 H GLY A 55 6.308 -7.488 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.664 -8.641 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.438 -9.882 -2.339 1.00 0.00 H new ATOM 593 N VAL A 56 5.284 -7.000 -3.168 1.00 0.00 N ATOM 594 CA VAL A 56 4.722 -6.216 -4.263 1.00 0.00 C ATOM 595 C VAL A 56 5.634 -5.033 -4.588 1.00 0.00 C ATOM 596 O VAL A 56 5.614 -4.500 -5.697 1.00 0.00 O ATOM 597 CB VAL A 56 3.294 -5.709 -3.934 1.00 0.00 C ATOM 598 CG1 VAL A 56 2.686 -4.962 -5.116 1.00 0.00 C ATOM 599 CG2 VAL A 56 2.397 -6.869 -3.526 1.00 0.00 C ATOM 0 H VAL A 56 5.068 -6.648 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 56 4.652 -6.869 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 56 3.372 -5.013 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.685 -4.619 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.310 -4.103 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.628 -5.629 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.399 -6.495 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.338 -7.588 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.811 -7.356 -2.643 1.00 0.00 H new ATOM 609 N LEU A 57 6.450 -4.642 -3.621 1.00 0.00 N ATOM 610 CA LEU A 57 7.370 -3.527 -3.806 1.00 0.00 C ATOM 611 C LEU A 57 8.809 -3.995 -3.633 1.00 0.00 C ATOM 612 O LEU A 57 9.053 -5.066 -3.074 1.00 0.00 O ATOM 613 CB LEU A 57 7.069 -2.417 -2.798 1.00 0.00 C ATOM 614 CG LEU A 57 7.775 -1.080 -3.050 1.00 0.00 C ATOM 615 CD1 LEU A 57 6.935 -0.187 -3.947 1.00 0.00 C ATOM 616 CD2 LEU A 57 8.077 -0.377 -1.738 1.00 0.00 C ATOM 0 H LEU A 57 6.495 -5.079 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 57 7.239 -3.138 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.993 -2.242 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.344 -2.770 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 57 8.718 -1.287 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.456 0.756 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.771 -0.683 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.974 0.008 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.578 0.570 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.146 -0.188 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.724 -1.007 -1.128 1.00 0.00 H new ATOM 628 N ASP A 58 9.740 -3.170 -4.106 1.00 0.00 N ATOM 629 CA ASP A 58 11.177 -3.436 -4.022 1.00 0.00 C ATOM 630 C ASP A 58 11.516 -4.818 -4.572 1.00 0.00 C ATOM 631 O ASP A 58 11.756 -5.765 -3.819 1.00 0.00 O ATOM 632 CB ASP A 58 11.682 -3.290 -2.584 1.00 0.00 C ATOM 633 CG ASP A 58 13.186 -3.116 -2.519 1.00 0.00 C ATOM 634 OD1 ASP A 58 13.912 -4.131 -2.546 1.00 0.00 O ATOM 635 OD2 ASP A 58 13.647 -1.959 -2.442 1.00 0.00 O ATOM 0 H ASP A 58 9.517 -2.287 -4.564 1.00 0.00 H new ATOM 0 HA ASP A 58 11.684 -2.693 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.198 -2.432 -2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.395 -4.170 -2.009 1.00 0.00 H new ATOM 640 N ASN A 59 11.513 -4.929 -5.891 1.00 0.00 N ATOM 641 CA ASN A 59 11.788 -6.198 -6.548 1.00 0.00 C ATOM 642 C ASN A 59 12.094 -5.976 -8.026 1.00 0.00 C ATOM 643 O ASN A 59 11.267 -6.273 -8.893 1.00 0.00 O ATOM 644 CB ASN A 59 10.603 -7.160 -6.384 1.00 0.00 C ATOM 645 CG ASN A 59 10.919 -8.569 -6.851 1.00 0.00 C ATOM 646 OD1 ASN A 59 12.064 -9.012 -6.804 1.00 0.00 O ATOM 647 ND2 ASN A 59 9.899 -9.288 -7.294 1.00 0.00 N ATOM 0 H ASN A 59 11.323 -4.156 -6.528 1.00 0.00 H new ATOM 0 HA ASN A 59 12.662 -6.647 -6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.306 -7.188 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.751 -6.778 -6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.050 -10.245 -7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.963 -8.884 -7.318 1.00 0.00 H new ATOM 654 N LYS A 60 13.260 -5.378 -8.288 1.00 0.00 N ATOM 655 CA LYS A 60 13.801 -5.195 -9.644 1.00 0.00 C ATOM 656 C LYS A 60 13.072 -4.092 -10.401 1.00 0.00 C ATOM 657 O LYS A 60 13.671 -3.101 -10.812 1.00 0.00 O ATOM 658 CB LYS A 60 13.722 -6.494 -10.454 1.00 0.00 C ATOM 659 CG LYS A 60 14.457 -6.431 -11.786 1.00 0.00 C ATOM 660 CD LYS A 60 14.171 -7.651 -12.645 1.00 0.00 C ATOM 661 CE LYS A 60 14.950 -7.615 -13.949 1.00 0.00 C ATOM 662 NZ LYS A 60 14.688 -6.373 -14.726 1.00 0.00 N ATOM 0 H LYS A 60 13.864 -5.002 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 60 14.845 -4.907 -9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.136 -7.308 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.675 -6.734 -10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.160 -5.530 -12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.529 -6.356 -11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.429 -8.554 -12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.104 -7.703 -12.860 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.016 -7.690 -13.735 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.684 -8.482 -14.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.087 -6.471 -15.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.662 -6.215 -14.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.132 -5.564 -14.247 1.00 0.00 H new ATOM 676 N ALA A 61 11.774 -4.273 -10.571 1.00 0.00 N ATOM 677 CA ALA A 61 10.961 -3.372 -11.381 1.00 0.00 C ATOM 678 C ALA A 61 10.580 -2.100 -10.626 1.00 0.00 C ATOM 679 O ALA A 61 9.810 -1.281 -11.123 1.00 0.00 O ATOM 680 CB ALA A 61 9.712 -4.092 -11.865 1.00 0.00 C ATOM 0 H ALA A 61 11.252 -5.044 -10.155 1.00 0.00 H new ATOM 0 HA ALA A 61 11.563 -3.069 -12.238 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.111 -3.412 -12.469 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.999 -4.954 -12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.129 -4.427 -11.007 1.00 0.00 H new ATOM 686 N ILE A 62 11.121 -1.930 -9.432 1.00 0.00 N ATOM 687 CA ILE A 62 10.843 -0.741 -8.643 1.00 0.00 C ATOM 688 C ILE A 62 11.936 0.297 -8.861 1.00 0.00 C ATOM 689 O ILE A 62 13.039 0.196 -8.320 1.00 0.00 O ATOM 690 CB ILE A 62 10.691 -1.078 -7.142 1.00 0.00 C ATOM 691 CG1 ILE A 62 9.476 -1.990 -6.934 1.00 0.00 C ATOM 692 CG2 ILE A 62 10.560 0.189 -6.306 1.00 0.00 C ATOM 693 CD1 ILE A 62 8.165 -1.381 -7.389 1.00 0.00 C ATOM 0 H ILE A 62 11.753 -2.597 -8.988 1.00 0.00 H new ATOM 0 HA ILE A 62 9.892 -0.325 -8.977 1.00 0.00 H new ATOM 0 HB ILE A 62 11.588 -1.601 -6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.638 -2.923 -7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.400 -2.242 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.454 -0.078 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 62 11.450 0.805 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.682 0.748 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.354 -2.087 -7.209 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.978 -0.463 -6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.219 -1.155 -8.454 1.00 0.00 H new ATOM 705 N THR A 63 11.625 1.277 -9.691 1.00 0.00 N ATOM 706 CA THR A 63 12.587 2.292 -10.073 1.00 0.00 C ATOM 707 C THR A 63 12.306 3.607 -9.346 1.00 0.00 C ATOM 708 O THR A 63 11.761 3.601 -8.241 1.00 0.00 O ATOM 709 CB THR A 63 12.542 2.494 -11.597 1.00 0.00 C ATOM 710 OG1 THR A 63 11.222 2.880 -12.007 1.00 0.00 O ATOM 711 CG2 THR A 63 12.936 1.211 -12.310 1.00 0.00 C ATOM 0 H THR A 63 10.705 1.390 -10.116 1.00 0.00 H new ATOM 0 HA THR A 63 13.585 1.960 -9.786 1.00 0.00 H new ATOM 0 HB THR A 63 13.247 3.283 -11.861 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.737 2.093 -12.332 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.900 1.368 -13.388 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.947 0.928 -12.018 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.244 0.415 -12.036 1.00 0.00 H new ATOM 719 N GLY A 64 12.687 4.726 -9.954 1.00 0.00 N ATOM 720 CA GLY A 64 12.461 6.021 -9.344 1.00 0.00 C ATOM 721 C GLY A 64 11.355 6.799 -10.030 1.00 0.00 C ATOM 722 O GLY A 64 10.682 7.616 -9.402 1.00 0.00 O ATOM 0 H GLY A 64 13.150 4.757 -10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.207 5.885 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.383 6.601 -9.377 1.00 0.00 H new ATOM 726 N THR A 65 11.165 6.555 -11.321 1.00 0.00 N ATOM 727 CA THR A 65 10.129 7.249 -12.072 1.00 0.00 C ATOM 728 C THR A 65 8.747 6.661 -11.771 1.00 0.00 C ATOM 729 O THR A 65 7.808 7.396 -11.468 1.00 0.00 O ATOM 730 CB THR A 65 10.410 7.227 -13.598 1.00 0.00 C ATOM 731 OG1 THR A 65 9.342 7.858 -14.314 1.00 0.00 O ATOM 732 CG2 THR A 65 10.598 5.811 -14.119 1.00 0.00 C ATOM 0 H THR A 65 11.711 5.887 -11.865 1.00 0.00 H new ATOM 0 HA THR A 65 10.140 8.290 -11.750 1.00 0.00 H new ATOM 0 HB THR A 65 11.337 7.777 -13.761 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.535 7.837 -15.275 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.792 5.841 -15.191 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.442 5.345 -13.610 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.695 5.231 -13.930 1.00 0.00 H new ATOM 740 N MET A 66 8.646 5.333 -11.808 1.00 0.00 N ATOM 741 CA MET A 66 7.378 4.648 -11.582 1.00 0.00 C ATOM 742 C MET A 66 6.847 4.946 -10.184 1.00 0.00 C ATOM 743 O MET A 66 5.675 5.277 -10.005 1.00 0.00 O ATOM 744 CB MET A 66 7.560 3.139 -11.765 1.00 0.00 C ATOM 745 CG MET A 66 7.936 2.739 -13.184 1.00 0.00 C ATOM 746 SD MET A 66 8.486 1.025 -13.301 1.00 0.00 S ATOM 747 CE MET A 66 7.055 0.160 -12.654 1.00 0.00 C ATOM 0 H MET A 66 9.432 4.710 -11.993 1.00 0.00 H new ATOM 0 HA MET A 66 6.653 5.011 -12.310 1.00 0.00 H new ATOM 0 HB2 MET A 66 8.333 2.789 -11.081 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.635 2.633 -11.487 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.077 2.886 -13.838 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.728 3.396 -13.545 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.302 -0.280 -11.688 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.230 0.862 -12.533 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.762 -0.628 -13.348 1.00 0.00 H new ATOM 757 N THR A 67 7.727 4.847 -9.201 1.00 0.00 N ATOM 758 CA THR A 67 7.354 5.066 -7.816 1.00 0.00 C ATOM 759 C THR A 67 7.173 6.555 -7.531 1.00 0.00 C ATOM 760 O THR A 67 6.251 6.951 -6.815 1.00 0.00 O ATOM 761 CB THR A 67 8.425 4.488 -6.879 1.00 0.00 C ATOM 762 OG1 THR A 67 9.673 5.149 -7.114 1.00 0.00 O ATOM 763 CG2 THR A 67 8.594 2.995 -7.119 1.00 0.00 C ATOM 0 H THR A 67 8.710 4.615 -9.340 1.00 0.00 H new ATOM 0 HA THR A 67 6.406 4.558 -7.637 1.00 0.00 H new ATOM 0 HB THR A 67 8.109 4.646 -5.848 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.311 4.514 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.357 2.602 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.648 2.487 -6.931 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.898 2.825 -8.152 1.00 0.00 H new ATOM 771 N GLY A 68 8.051 7.370 -8.115 1.00 0.00 N ATOM 772 CA GLY A 68 8.018 8.804 -7.899 1.00 0.00 C ATOM 773 C GLY A 68 6.691 9.418 -8.280 1.00 0.00 C ATOM 774 O GLY A 68 6.157 10.244 -7.541 1.00 0.00 O ATOM 0 H GLY A 68 8.792 7.055 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.224 9.015 -6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.812 9.274 -8.480 1.00 0.00 H new ATOM 778 N ILE A 69 6.153 9.010 -9.426 1.00 0.00 N ATOM 779 CA ILE A 69 4.861 9.504 -9.877 1.00 0.00 C ATOM 780 C ILE A 69 3.779 9.195 -8.846 1.00 0.00 C ATOM 781 O ILE A 69 3.016 10.079 -8.456 1.00 0.00 O ATOM 782 CB ILE A 69 4.470 8.900 -11.243 1.00 0.00 C ATOM 783 CG1 ILE A 69 5.505 9.286 -12.304 1.00 0.00 C ATOM 784 CG2 ILE A 69 3.081 9.363 -11.662 1.00 0.00 C ATOM 785 CD1 ILE A 69 5.276 8.631 -13.649 1.00 0.00 C ATOM 0 H ILE A 69 6.593 8.340 -10.056 1.00 0.00 H new ATOM 0 HA ILE A 69 4.947 10.584 -9.994 1.00 0.00 H new ATOM 0 HB ILE A 69 4.451 7.814 -11.148 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.494 10.368 -12.431 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.498 9.017 -11.944 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.827 8.925 -12.627 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.352 9.046 -10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.069 10.450 -11.743 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.049 8.953 -14.347 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.317 7.547 -13.538 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.297 8.920 -14.033 1.00 0.00 H new ATOM 797 N ALA A 70 3.743 7.948 -8.384 1.00 0.00 N ATOM 798 CA ALA A 70 2.754 7.517 -7.399 1.00 0.00 C ATOM 799 C ALA A 70 2.847 8.354 -6.124 1.00 0.00 C ATOM 800 O ALA A 70 1.847 8.899 -5.655 1.00 0.00 O ATOM 801 CB ALA A 70 2.932 6.038 -7.081 1.00 0.00 C ATOM 0 H ALA A 70 4.390 7.216 -8.677 1.00 0.00 H new ATOM 0 HA ALA A 70 1.763 7.666 -7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.188 5.732 -6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.805 5.452 -7.991 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.931 5.870 -6.678 1.00 0.00 H new ATOM 807 N PHE A 71 4.058 8.467 -5.582 1.00 0.00 N ATOM 808 CA PHE A 71 4.292 9.260 -4.379 1.00 0.00 C ATOM 809 C PHE A 71 3.911 10.719 -4.600 1.00 0.00 C ATOM 810 O PHE A 71 3.300 11.345 -3.738 1.00 0.00 O ATOM 811 CB PHE A 71 5.751 9.158 -3.925 1.00 0.00 C ATOM 812 CG PHE A 71 6.125 7.803 -3.389 1.00 0.00 C ATOM 813 CD1 PHE A 71 5.386 7.219 -2.372 1.00 0.00 C ATOM 814 CD2 PHE A 71 7.217 7.118 -3.896 1.00 0.00 C ATOM 815 CE1 PHE A 71 5.729 5.978 -1.871 1.00 0.00 C ATOM 816 CE2 PHE A 71 7.565 5.876 -3.400 1.00 0.00 C ATOM 817 CZ PHE A 71 6.820 5.305 -2.387 1.00 0.00 C ATOM 0 H PHE A 71 4.893 8.018 -5.958 1.00 0.00 H new ATOM 0 HA PHE A 71 3.657 8.853 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.401 9.398 -4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.936 9.907 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.532 7.740 -1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.803 7.560 -4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.146 5.535 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.419 5.352 -3.804 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.090 4.334 -1.999 1.00 0.00 H new ATOM 827 N SER A 72 4.282 11.260 -5.749 1.00 0.00 N ATOM 828 CA SER A 72 3.975 12.644 -6.073 1.00 0.00 C ATOM 829 C SER A 72 2.463 12.888 -6.053 1.00 0.00 C ATOM 830 O SER A 72 2.004 13.937 -5.602 1.00 0.00 O ATOM 831 CB SER A 72 4.555 13.000 -7.444 1.00 0.00 C ATOM 832 OG SER A 72 4.483 14.396 -7.700 1.00 0.00 O ATOM 0 H SER A 72 4.797 10.761 -6.474 1.00 0.00 H new ATOM 0 HA SER A 72 4.430 13.285 -5.318 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.594 12.674 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.013 12.460 -8.220 1.00 0.00 H new ATOM 0 HG SER A 72 4.863 14.587 -8.583 1.00 0.00 H new ATOM 838 N LYS A 73 1.696 11.911 -6.524 1.00 0.00 N ATOM 839 CA LYS A 73 0.249 12.051 -6.604 1.00 0.00 C ATOM 840 C LYS A 73 -0.396 12.054 -5.218 1.00 0.00 C ATOM 841 O LYS A 73 -1.383 12.759 -4.985 1.00 0.00 O ATOM 842 CB LYS A 73 -0.347 10.927 -7.450 1.00 0.00 C ATOM 843 CG LYS A 73 0.098 10.936 -8.906 1.00 0.00 C ATOM 844 CD LYS A 73 -0.210 12.261 -9.584 1.00 0.00 C ATOM 845 CE LYS A 73 0.151 12.221 -11.059 1.00 0.00 C ATOM 846 NZ LYS A 73 -0.074 13.528 -11.726 1.00 0.00 N ATOM 0 H LYS A 73 2.053 11.015 -6.856 1.00 0.00 H new ATOM 0 HA LYS A 73 0.039 13.011 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.075 9.970 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.434 10.998 -7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.169 10.741 -8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.400 10.129 -9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.269 12.492 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.344 13.061 -9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.197 11.935 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.443 11.454 -11.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.185 13.454 -12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.077 13.791 -11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.512 14.256 -11.270 1.00 0.00 H new ATOM 860 N VAL A 74 0.151 11.261 -4.305 1.00 0.00 N ATOM 861 CA VAL A 74 -0.386 11.171 -2.955 1.00 0.00 C ATOM 862 C VAL A 74 0.000 12.398 -2.129 1.00 0.00 C ATOM 863 O VAL A 74 -0.726 12.789 -1.212 1.00 0.00 O ATOM 864 CB VAL A 74 0.081 9.879 -2.254 1.00 0.00 C ATOM 865 CG1 VAL A 74 -0.149 8.691 -3.163 1.00 0.00 C ATOM 866 CG2 VAL A 74 1.535 9.946 -1.822 1.00 0.00 C ATOM 0 H VAL A 74 0.966 10.672 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.473 11.139 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.511 9.765 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.183 7.781 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.211 8.611 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.415 8.824 -4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.813 9.012 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.167 10.101 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.670 10.773 -1.125 1.00 0.00 H new ATOM 876 N THR A 75 1.131 13.015 -2.474 1.00 0.00 N ATOM 877 CA THR A 75 1.588 14.223 -1.795 1.00 0.00 C ATOM 878 C THR A 75 2.885 14.752 -2.412 1.00 0.00 C ATOM 879 O THR A 75 3.007 15.944 -2.701 1.00 0.00 O ATOM 880 CB THR A 75 1.787 13.985 -0.274 1.00 0.00 C ATOM 881 OG1 THR A 75 2.296 15.167 0.356 1.00 0.00 O ATOM 882 CG2 THR A 75 2.728 12.815 0.004 1.00 0.00 C ATOM 0 H THR A 75 1.747 12.695 -3.222 1.00 0.00 H new ATOM 0 HA THR A 75 0.807 14.972 -1.926 1.00 0.00 H new ATOM 0 HB THR A 75 0.810 13.739 0.141 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.415 15.002 1.315 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.838 12.685 1.081 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.315 11.905 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.703 13.019 -0.438 1.00 0.00 H new ATOM 890 N GLY A 76 3.839 13.860 -2.640 1.00 0.00 N ATOM 891 CA GLY A 76 5.151 14.262 -3.104 1.00 0.00 C ATOM 892 C GLY A 76 6.248 13.491 -2.394 1.00 0.00 C ATOM 893 O GLY A 76 6.804 12.545 -2.955 1.00 0.00 O ATOM 0 H GLY A 76 3.725 12.855 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.225 14.097 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.287 15.330 -2.935 1.00 0.00 H new ATOM 987 N THR A 82 -1.323 12.025 4.795 1.00 0.00 N ATOM 988 CA THR A 82 -2.694 12.098 5.280 1.00 0.00 C ATOM 989 C THR A 82 -3.188 10.712 5.715 1.00 0.00 C ATOM 990 O THR A 82 -2.414 9.898 6.217 1.00 0.00 O ATOM 991 CB THR A 82 -3.608 12.633 4.152 1.00 0.00 C ATOM 992 OG1 THR A 82 -3.292 11.953 2.929 1.00 0.00 O ATOM 993 CG2 THR A 82 -3.453 14.136 3.959 1.00 0.00 C ATOM 0 HA THR A 82 -2.726 12.768 6.139 1.00 0.00 H new ATOM 0 HB THR A 82 -4.643 12.444 4.436 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.574 11.306 3.090 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.112 14.470 3.158 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.716 14.651 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.420 14.365 3.698 1.00 0.00 H new ATOM 1001 N PHE A 83 -4.492 10.486 5.601 1.00 0.00 N ATOM 1002 CA PHE A 83 -5.044 9.136 5.598 1.00 0.00 C ATOM 1003 C PHE A 83 -5.193 8.630 4.154 1.00 0.00 C ATOM 1004 O PHE A 83 -5.090 7.435 3.877 1.00 0.00 O ATOM 1005 CB PHE A 83 -6.398 9.104 6.311 1.00 0.00 C ATOM 1006 CG PHE A 83 -6.360 9.668 7.704 1.00 0.00 C ATOM 1007 CD1 PHE A 83 -5.517 9.130 8.661 1.00 0.00 C ATOM 1008 CD2 PHE A 83 -7.165 10.741 8.050 1.00 0.00 C ATOM 1009 CE1 PHE A 83 -5.480 9.650 9.941 1.00 0.00 C ATOM 1010 CE2 PHE A 83 -7.132 11.266 9.328 1.00 0.00 C ATOM 1011 CZ PHE A 83 -6.289 10.718 10.274 1.00 0.00 C ATOM 0 H PHE A 83 -5.190 11.224 5.509 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.358 8.481 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -7.123 9.665 5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.751 8.074 6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.882 8.295 8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -7.826 11.172 7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.819 9.221 10.680 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.764 12.103 9.586 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.262 11.125 11.274 1.00 0.00 H new ATOM 1021 N ASP A 84 -5.454 9.568 3.243 1.00 0.00 N ATOM 1022 CA ASP A 84 -5.841 9.257 1.859 1.00 0.00 C ATOM 1023 C ASP A 84 -4.662 8.895 0.958 1.00 0.00 C ATOM 1024 O ASP A 84 -4.848 8.183 -0.028 1.00 0.00 O ATOM 1025 CB ASP A 84 -6.600 10.428 1.234 1.00 0.00 C ATOM 1026 CG ASP A 84 -8.047 10.501 1.676 1.00 0.00 C ATOM 1027 OD1 ASP A 84 -8.850 9.645 1.246 1.00 0.00 O ATOM 1028 OD2 ASP A 84 -8.399 11.430 2.432 1.00 0.00 O ATOM 0 H ASP A 84 -5.404 10.567 3.440 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.481 8.377 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.099 11.360 1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.562 10.340 0.148 1.00 0.00 H new ATOM 1033 N GLU A 85 -3.469 9.407 1.254 1.00 0.00 N ATOM 1034 CA GLU A 85 -2.312 9.194 0.375 1.00 0.00 C ATOM 1035 C GLU A 85 -2.086 7.709 0.151 1.00 0.00 C ATOM 1036 O GLU A 85 -1.794 7.283 -0.958 1.00 0.00 O ATOM 1037 CB GLU A 85 -1.021 9.822 0.931 1.00 0.00 C ATOM 1038 CG GLU A 85 -0.337 9.039 2.036 1.00 0.00 C ATOM 1039 CD GLU A 85 -0.889 9.403 3.378 1.00 0.00 C ATOM 1040 OE1 GLU A 85 -2.122 9.512 3.483 1.00 0.00 O ATOM 1041 OE2 GLU A 85 -0.096 9.668 4.302 1.00 0.00 O ATOM 0 H GLU A 85 -3.275 9.966 2.085 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.544 9.688 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.316 9.948 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.255 10.818 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.468 7.971 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.735 9.236 2.015 1.00 0.00 H new ATOM 1048 N THR A 86 -2.238 6.930 1.206 1.00 0.00 N ATOM 1049 CA THR A 86 -2.029 5.507 1.124 1.00 0.00 C ATOM 1050 C THR A 86 -3.099 4.861 0.260 1.00 0.00 C ATOM 1051 O THR A 86 -2.817 3.962 -0.527 1.00 0.00 O ATOM 1052 CB THR A 86 -2.033 4.872 2.514 1.00 0.00 C ATOM 1053 OG1 THR A 86 -1.327 5.719 3.430 1.00 0.00 O ATOM 1054 CG2 THR A 86 -1.375 3.515 2.442 1.00 0.00 C ATOM 0 H THR A 86 -2.507 7.266 2.131 1.00 0.00 H new ATOM 0 HA THR A 86 -1.053 5.339 0.668 1.00 0.00 H new ATOM 0 HB THR A 86 -3.058 4.753 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.588 5.219 3.835 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.375 3.058 3.431 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.926 2.880 1.748 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.348 3.627 2.094 1.00 0.00 H new ATOM 1062 N LYS A 87 -4.324 5.346 0.402 1.00 0.00 N ATOM 1063 CA LYS A 87 -5.428 4.916 -0.442 1.00 0.00 C ATOM 1064 C LYS A 87 -5.076 5.164 -1.907 1.00 0.00 C ATOM 1065 O LYS A 87 -5.269 4.305 -2.772 1.00 0.00 O ATOM 1066 CB LYS A 87 -6.690 5.694 -0.054 1.00 0.00 C ATOM 1067 CG LYS A 87 -7.909 5.354 -0.885 1.00 0.00 C ATOM 1068 CD LYS A 87 -9.096 6.230 -0.517 1.00 0.00 C ATOM 1069 CE LYS A 87 -10.303 5.936 -1.395 1.00 0.00 C ATOM 1070 NZ LYS A 87 -10.733 4.514 -1.300 1.00 0.00 N ATOM 0 H LYS A 87 -4.579 6.044 1.101 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.611 3.851 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.914 5.501 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.488 6.761 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.676 5.480 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.170 4.306 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.358 6.068 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.819 7.280 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.129 6.584 -1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.063 6.173 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.658 4.400 -1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.033 3.907 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.808 4.240 -0.300 1.00 0.00 H new ATOM 1084 N LYS A 88 -4.525 6.345 -2.160 1.00 0.00 N ATOM 1085 CA LYS A 88 -4.107 6.744 -3.491 1.00 0.00 C ATOM 1086 C LYS A 88 -2.931 5.899 -3.982 1.00 0.00 C ATOM 1087 O LYS A 88 -3.019 5.262 -5.026 1.00 0.00 O ATOM 1088 CB LYS A 88 -3.714 8.224 -3.487 1.00 0.00 C ATOM 1089 CG LYS A 88 -4.867 9.178 -3.214 1.00 0.00 C ATOM 1090 CD LYS A 88 -5.883 9.157 -4.339 1.00 0.00 C ATOM 1091 CE LYS A 88 -6.969 10.199 -4.124 1.00 0.00 C ATOM 1092 NZ LYS A 88 -7.895 10.276 -5.284 1.00 0.00 N ATOM 0 H LYS A 88 -4.357 7.052 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.944 6.586 -4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.942 8.381 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.273 8.473 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -5.353 8.904 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.482 10.190 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.381 9.343 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.334 8.167 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.533 9.956 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.510 11.174 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.622 10.997 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.360 10.532 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.352 9.352 -5.426 1.00 0.00 H new ATOM 1106 N VAL A 89 -1.840 5.886 -3.216 1.00 0.00 N ATOM 1107 CA VAL A 89 -0.611 5.225 -3.646 1.00 0.00 C ATOM 1108 C VAL A 89 -0.817 3.727 -3.823 1.00 0.00 C ATOM 1109 O VAL A 89 -0.306 3.142 -4.771 1.00 0.00 O ATOM 1110 CB VAL A 89 0.572 5.493 -2.677 1.00 0.00 C ATOM 1111 CG1 VAL A 89 0.330 4.894 -1.302 1.00 0.00 C ATOM 1112 CG2 VAL A 89 1.882 4.982 -3.269 1.00 0.00 C ATOM 0 H VAL A 89 -1.784 6.325 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.352 5.657 -4.613 1.00 0.00 H new ATOM 0 HB VAL A 89 0.647 6.573 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.183 5.106 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.570 5.330 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.203 3.815 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.697 5.180 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.808 3.909 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.078 5.491 -4.212 1.00 0.00 H new ATOM 1122 N LEU A 90 -1.589 3.112 -2.934 1.00 0.00 N ATOM 1123 CA LEU A 90 -1.870 1.689 -3.032 1.00 0.00 C ATOM 1124 C LEU A 90 -2.603 1.413 -4.344 1.00 0.00 C ATOM 1125 O LEU A 90 -2.324 0.431 -5.038 1.00 0.00 O ATOM 1126 CB LEU A 90 -2.699 1.237 -1.821 1.00 0.00 C ATOM 1127 CG LEU A 90 -2.501 -0.217 -1.367 1.00 0.00 C ATOM 1128 CD1 LEU A 90 -3.090 -1.188 -2.368 1.00 0.00 C ATOM 1129 CD2 LEU A 90 -1.025 -0.520 -1.163 1.00 0.00 C ATOM 0 H LEU A 90 -2.029 3.577 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.939 1.122 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.465 1.892 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.754 1.382 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.023 -0.339 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.934 -2.209 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.158 -0.999 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.602 -1.056 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.907 -1.555 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.489 -0.368 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.619 0.145 -0.401 1.00 0.00 H new ATOM 1141 N ALA A 91 -3.513 2.317 -4.692 1.00 0.00 N ATOM 1142 CA ALA A 91 -4.225 2.232 -5.955 1.00 0.00 C ATOM 1143 C ALA A 91 -3.278 2.468 -7.131 1.00 0.00 C ATOM 1144 O ALA A 91 -3.339 1.760 -8.129 1.00 0.00 O ATOM 1145 CB ALA A 91 -5.371 3.232 -5.983 1.00 0.00 C ATOM 0 H ALA A 91 -3.773 3.116 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.637 1.227 -6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.896 3.157 -6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.063 3.015 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.976 4.241 -5.864 1.00 0.00 H new ATOM 1151 N PHE A 92 -2.394 3.457 -7.001 1.00 0.00 N ATOM 1152 CA PHE A 92 -1.445 3.786 -8.065 1.00 0.00 C ATOM 1153 C PHE A 92 -0.435 2.660 -8.288 1.00 0.00 C ATOM 1154 O PHE A 92 -0.062 2.375 -9.424 1.00 0.00 O ATOM 1155 CB PHE A 92 -0.716 5.103 -7.774 1.00 0.00 C ATOM 1156 CG PHE A 92 -1.582 6.320 -7.945 1.00 0.00 C ATOM 1157 CD1 PHE A 92 -2.217 6.566 -9.153 1.00 0.00 C ATOM 1158 CD2 PHE A 92 -1.757 7.218 -6.905 1.00 0.00 C ATOM 1159 CE1 PHE A 92 -3.013 7.684 -9.316 1.00 0.00 C ATOM 1160 CE2 PHE A 92 -2.552 8.336 -7.063 1.00 0.00 C ATOM 1161 CZ PHE A 92 -3.180 8.570 -8.269 1.00 0.00 C ATOM 0 H PHE A 92 -2.315 4.044 -6.170 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.024 3.907 -8.981 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.334 5.079 -6.753 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.147 5.185 -8.435 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.088 5.877 -9.975 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.266 7.042 -5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.504 7.865 -10.261 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.682 9.027 -6.243 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.801 9.444 -8.394 1.00 0.00 H new ATOM 1171 N VAL A 93 0.012 2.032 -7.205 1.00 0.00 N ATOM 1172 CA VAL A 93 0.896 0.874 -7.303 1.00 0.00 C ATOM 1173 C VAL A 93 0.235 -0.224 -8.132 1.00 0.00 C ATOM 1174 O VAL A 93 0.875 -0.851 -8.977 1.00 0.00 O ATOM 1175 CB VAL A 93 1.288 0.322 -5.912 1.00 0.00 C ATOM 1176 CG1 VAL A 93 2.096 -0.959 -6.042 1.00 0.00 C ATOM 1177 CG2 VAL A 93 2.079 1.359 -5.126 1.00 0.00 C ATOM 0 H VAL A 93 -0.223 2.304 -6.250 1.00 0.00 H new ATOM 0 HA VAL A 93 1.811 1.204 -7.796 1.00 0.00 H new ATOM 0 HB VAL A 93 0.368 0.097 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.359 -1.326 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.504 -1.712 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.006 -0.759 -6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.345 0.951 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.987 1.615 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.472 2.254 -4.992 1.00 0.00 H new ATOM 1187 N ALA A 94 -1.046 -0.464 -7.871 1.00 0.00 N ATOM 1188 CA ALA A 94 -1.819 -1.419 -8.654 1.00 0.00 C ATOM 1189 C ALA A 94 -2.002 -0.921 -10.086 1.00 0.00 C ATOM 1190 O ALA A 94 -1.813 -1.674 -11.041 1.00 0.00 O ATOM 1191 CB ALA A 94 -3.171 -1.661 -8.004 1.00 0.00 C ATOM 0 H ALA A 94 -1.570 -0.010 -7.123 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.271 -2.360 -8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.738 -2.376 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.026 -2.059 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.720 -0.721 -7.946 1.00 0.00 H new ATOM 1197 N GLU A 95 -2.362 0.358 -10.207 1.00 0.00 N ATOM 1198 CA GLU A 95 -2.593 1.007 -11.498 1.00 0.00 C ATOM 1199 C GLU A 95 -1.409 0.806 -12.439 1.00 0.00 C ATOM 1200 O GLU A 95 -1.594 0.561 -13.625 1.00 0.00 O ATOM 1201 CB GLU A 95 -2.835 2.507 -11.286 1.00 0.00 C ATOM 1202 CG GLU A 95 -3.137 3.283 -12.560 1.00 0.00 C ATOM 1203 CD GLU A 95 -4.536 3.032 -13.087 1.00 0.00 C ATOM 1204 OE1 GLU A 95 -5.472 3.733 -12.640 1.00 0.00 O ATOM 1205 OE2 GLU A 95 -4.704 2.153 -13.951 1.00 0.00 O ATOM 0 H GLU A 95 -2.502 0.976 -9.408 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.472 0.551 -11.955 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.666 2.634 -10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.955 2.941 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.012 4.349 -12.368 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.411 3.010 -13.326 1.00 0.00 H new ATOM 1212 N ASP A 96 -0.201 0.906 -11.892 1.00 0.00 N ATOM 1213 CA ASP A 96 1.034 0.752 -12.666 1.00 0.00 C ATOM 1214 C ASP A 96 0.989 -0.465 -13.591 1.00 0.00 C ATOM 1215 O ASP A 96 0.877 -0.326 -14.810 1.00 0.00 O ATOM 1216 CB ASP A 96 2.232 0.644 -11.714 1.00 0.00 C ATOM 1217 CG ASP A 96 3.498 0.172 -12.409 1.00 0.00 C ATOM 1218 OD1 ASP A 96 4.007 0.901 -13.280 1.00 0.00 O ATOM 1219 OD2 ASP A 96 3.986 -0.931 -12.067 1.00 0.00 O ATOM 0 H ASP A 96 -0.047 1.096 -10.902 1.00 0.00 H new ATOM 0 HA ASP A 96 1.140 1.635 -13.297 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.415 1.616 -11.257 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.987 -0.047 -10.907 1.00 0.00 H new ATOM 1224 N ARG A 97 1.039 -1.653 -13.010 1.00 0.00 N ATOM 1225 CA ARG A 97 1.111 -2.880 -13.789 1.00 0.00 C ATOM 1226 C ARG A 97 -0.239 -3.243 -14.395 1.00 0.00 C ATOM 1227 O ARG A 97 -0.303 -3.934 -15.412 1.00 0.00 O ATOM 1228 CB ARG A 97 1.655 -4.009 -12.919 1.00 0.00 C ATOM 1229 CG ARG A 97 3.136 -3.845 -12.625 1.00 0.00 C ATOM 1230 CD ARG A 97 3.610 -4.783 -11.530 1.00 0.00 C ATOM 1231 NE ARG A 97 2.784 -4.693 -10.322 1.00 0.00 N ATOM 1232 CZ ARG A 97 2.617 -3.588 -9.587 1.00 0.00 C ATOM 1233 NH1 ARG A 97 3.161 -2.429 -9.950 1.00 0.00 N ATOM 1234 NH2 ARG A 97 1.874 -3.645 -8.492 1.00 0.00 N ATOM 0 H ARG A 97 1.031 -1.794 -12.000 1.00 0.00 H new ATOM 0 HA ARG A 97 1.794 -2.721 -14.624 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.102 -4.041 -11.981 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.489 -4.963 -13.419 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.708 -4.032 -13.534 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.334 -2.815 -12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.596 -5.808 -11.901 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.645 -4.550 -11.278 1.00 0.00 H new ATOM 0 HE ARG A 97 2.300 -5.538 -10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.717 -2.372 -10.803 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.021 -1.598 -9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.437 -4.525 -8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.739 -2.809 -7.923 1.00 0.00 H new ATOM 1248 N ALA A 98 -1.314 -2.767 -13.782 1.00 0.00 N ATOM 1249 CA ALA A 98 -2.648 -2.972 -14.326 1.00 0.00 C ATOM 1250 C ALA A 98 -2.792 -2.257 -15.660 1.00 0.00 C ATOM 1251 O ALA A 98 -3.196 -2.853 -16.656 1.00 0.00 O ATOM 1252 CB ALA A 98 -3.702 -2.474 -13.352 1.00 0.00 C ATOM 0 H ALA A 98 -1.288 -2.238 -12.910 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.794 -4.041 -14.483 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.694 -2.635 -13.775 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.616 -3.019 -12.412 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.554 -1.410 -13.169 1.00 0.00 H new ATOM 1258 N ARG A 99 -2.435 -0.982 -15.659 1.00 0.00 N ATOM 1259 CA ARG A 99 -2.554 -0.124 -16.826 1.00 0.00 C ATOM 1260 C ARG A 99 -1.491 -0.460 -17.870 1.00 0.00 C ATOM 1261 O ARG A 99 -1.772 -0.473 -19.068 1.00 0.00 O ATOM 1262 CB ARG A 99 -2.424 1.335 -16.381 1.00 0.00 C ATOM 1263 CG ARG A 99 -2.464 2.360 -17.498 1.00 0.00 C ATOM 1264 CD ARG A 99 -2.201 3.751 -16.942 1.00 0.00 C ATOM 1265 NE ARG A 99 -2.132 4.768 -17.989 1.00 0.00 N ATOM 1266 CZ ARG A 99 -1.052 5.515 -18.226 1.00 0.00 C ATOM 1267 NH1 ARG A 99 0.056 5.323 -17.518 1.00 0.00 N ATOM 1268 NH2 ARG A 99 -1.077 6.446 -19.169 1.00 0.00 N ATOM 0 H ARG A 99 -2.051 -0.510 -14.840 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.528 -0.285 -17.289 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -3.228 1.556 -15.678 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.486 1.450 -15.838 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.718 2.115 -18.254 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.436 2.335 -17.990 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.991 4.012 -16.237 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.265 3.745 -16.384 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.956 4.915 -18.572 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.081 4.605 -16.794 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.882 5.894 -17.699 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.924 6.594 -19.717 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.249 7.015 -19.346 1.00 0.00 H new ATOM 1282 N GLN A 100 -0.275 -0.732 -17.408 1.00 0.00 N ATOM 1283 CA GLN A 100 0.838 -1.043 -18.300 1.00 0.00 C ATOM 1284 C GLN A 100 0.571 -2.335 -19.064 1.00 0.00 C ATOM 1285 O GLN A 100 0.597 -2.354 -20.297 1.00 0.00 O ATOM 1286 CB GLN A 100 2.141 -1.146 -17.492 1.00 0.00 C ATOM 1287 CG GLN A 100 3.421 -1.213 -18.324 1.00 0.00 C ATOM 1288 CD GLN A 100 3.814 -2.626 -18.727 1.00 0.00 C ATOM 1289 OE1 GLN A 100 4.497 -3.325 -17.982 1.00 0.00 O ATOM 1290 NE2 GLN A 100 3.422 -3.040 -19.920 1.00 0.00 N ATOM 0 H GLN A 100 -0.034 -0.743 -16.417 1.00 0.00 H new ATOM 0 HA GLN A 100 0.941 -0.239 -19.029 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.205 -0.286 -16.826 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.090 -2.034 -16.862 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.291 -0.611 -19.223 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.237 -0.766 -17.756 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.856 -2.431 -20.510 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.686 -3.968 -20.250 1.00 0.00 H new ATOM 1299 N SER A 101 0.303 -3.409 -18.334 1.00 0.00 N ATOM 1300 CA SER A 101 0.119 -4.712 -18.949 1.00 0.00 C ATOM 1301 C SER A 101 -1.215 -4.799 -19.691 1.00 0.00 C ATOM 1302 O SER A 101 -1.244 -5.053 -20.896 1.00 0.00 O ATOM 1303 CB SER A 101 0.225 -5.806 -17.889 1.00 0.00 C ATOM 1304 OG SER A 101 1.464 -5.714 -17.200 1.00 0.00 O ATOM 0 H SER A 101 0.209 -3.402 -17.318 1.00 0.00 H new ATOM 0 HA SER A 101 0.908 -4.856 -19.687 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.599 -5.715 -17.181 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.135 -6.785 -18.359 1.00 0.00 H new ATOM 0 HG SER A 101 1.359 -5.138 -16.414 1.00 0.00 H new ATOM 1310 N LYS A 102 -2.315 -4.580 -18.985 1.00 0.00 N ATOM 1311 CA LYS A 102 -3.634 -4.675 -19.601 1.00 0.00 C ATOM 1312 C LYS A 102 -4.188 -3.283 -19.907 1.00 0.00 C ATOM 1313 O LYS A 102 -4.140 -2.828 -21.052 1.00 0.00 O ATOM 1314 CB LYS A 102 -4.586 -5.442 -18.676 1.00 0.00 C ATOM 1315 CG LYS A 102 -4.026 -6.779 -18.212 1.00 0.00 C ATOM 1316 CD LYS A 102 -4.955 -7.479 -17.233 1.00 0.00 C ATOM 1317 CE LYS A 102 -4.325 -8.754 -16.690 1.00 0.00 C ATOM 1318 NZ LYS A 102 -5.210 -9.445 -15.719 1.00 0.00 N ATOM 0 H LYS A 102 -2.323 -4.337 -17.994 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.544 -5.217 -20.542 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.809 -4.827 -17.804 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.529 -5.611 -19.196 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.860 -7.422 -19.077 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.056 -6.621 -17.741 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.191 -6.807 -16.408 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.896 -7.718 -17.728 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.100 -9.427 -17.517 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.377 -8.513 -16.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.781 -9.410 -14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.137 -8.973 -15.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.333 -10.437 -16.006 1.00 0.00 H new ATOM 1332 N LYS A 103 -4.677 -2.623 -18.852 1.00 0.00 N ATOM 1333 CA LYS A 103 -5.191 -1.245 -18.889 1.00 0.00 C ATOM 1334 C LYS A 103 -6.092 -0.966 -17.681 1.00 0.00 C ATOM 1335 O LYS A 103 -5.892 0.031 -16.994 1.00 0.00 O ATOM 1336 CB LYS A 103 -5.962 -0.894 -20.167 1.00 0.00 C ATOM 1337 CG LYS A 103 -5.265 0.175 -20.997 1.00 0.00 C ATOM 1338 CD LYS A 103 -6.251 1.024 -21.782 1.00 0.00 C ATOM 1339 CE LYS A 103 -7.090 1.906 -20.864 1.00 0.00 C ATOM 1340 NZ LYS A 103 -6.251 2.826 -20.047 1.00 0.00 N ATOM 0 H LYS A 103 -4.729 -3.041 -17.923 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.302 -0.615 -18.865 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.086 -1.793 -20.770 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.961 -0.548 -19.901 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.677 0.817 -20.341 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.567 -0.300 -21.687 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.709 1.649 -22.492 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.907 0.376 -22.364 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.789 2.490 -21.463 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.686 1.277 -20.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.842 3.598 -19.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.831 2.301 -19.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.494 3.223 -20.639 1.00 0.00 H new ATOM 1354 N PRO A 104 -7.117 -1.816 -17.415 1.00 0.00 N ATOM 1355 CA PRO A 104 -8.028 -1.616 -16.286 1.00 0.00 C ATOM 1356 C PRO A 104 -7.386 -1.948 -14.943 1.00 0.00 C ATOM 1357 O PRO A 104 -7.005 -3.095 -14.688 1.00 0.00 O ATOM 1358 CB PRO A 104 -9.193 -2.581 -16.565 1.00 0.00 C ATOM 1359 CG PRO A 104 -8.967 -3.104 -17.944 1.00 0.00 C ATOM 1360 CD PRO A 104 -7.490 -3.014 -18.181 1.00 0.00 C ATOM 0 HA PRO A 104 -8.332 -0.572 -16.210 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.211 -3.392 -15.837 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.152 -2.067 -16.494 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -9.315 -4.133 -18.033 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.517 -2.517 -18.679 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.967 -3.902 -17.826 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.255 -2.908 -19.240 1.00 0.00 H new ATOM 1368 N ILE A 105 -7.272 -0.932 -14.096 1.00 0.00 N ATOM 1369 CA ILE A 105 -6.709 -1.081 -12.758 1.00 0.00 C ATOM 1370 C ILE A 105 -7.503 -2.092 -11.924 1.00 0.00 C ATOM 1371 O ILE A 105 -6.922 -2.903 -11.199 1.00 0.00 O ATOM 1372 CB ILE A 105 -6.644 0.280 -12.016 1.00 0.00 C ATOM 1373 CG1 ILE A 105 -6.175 0.088 -10.568 1.00 0.00 C ATOM 1374 CG2 ILE A 105 -7.993 0.986 -12.065 1.00 0.00 C ATOM 1375 CD1 ILE A 105 -6.140 1.371 -9.765 1.00 0.00 C ATOM 0 H ILE A 105 -7.567 0.019 -14.317 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.694 -1.457 -12.882 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.915 0.912 -12.524 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.836 -0.623 -10.072 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.179 -0.354 -10.574 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.925 1.938 -11.539 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.273 1.165 -13.103 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -8.748 0.361 -11.588 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.799 1.157 -8.752 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.456 2.077 -10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -7.140 1.804 -9.727 1.00 0.00 H new ATOM 1387 N GLN A 106 -8.831 -2.042 -12.039 1.00 0.00 N ATOM 1388 CA GLN A 106 -9.711 -2.884 -11.234 1.00 0.00 C ATOM 1389 C GLN A 106 -9.359 -4.363 -11.406 1.00 0.00 C ATOM 1390 O GLN A 106 -9.280 -5.104 -10.430 1.00 0.00 O ATOM 1391 CB GLN A 106 -11.173 -2.649 -11.627 1.00 0.00 C ATOM 1392 CG GLN A 106 -12.156 -2.715 -10.465 1.00 0.00 C ATOM 1393 CD GLN A 106 -11.980 -3.950 -9.605 1.00 0.00 C ATOM 1394 OE1 GLN A 106 -12.550 -5.007 -9.883 1.00 0.00 O ATOM 1395 NE2 GLN A 106 -11.205 -3.815 -8.543 1.00 0.00 N ATOM 0 H GLN A 106 -9.321 -1.423 -12.686 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.573 -2.615 -10.187 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.256 -1.671 -12.102 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.460 -3.391 -12.372 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.035 -1.827 -9.844 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.173 -2.694 -10.856 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.753 -2.921 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.059 -4.605 -7.915 1.00 0.00 H new ATOM 1404 N ASP A 107 -9.129 -4.774 -12.651 1.00 0.00 N ATOM 1405 CA ASP A 107 -8.837 -6.173 -12.965 1.00 0.00 C ATOM 1406 C ASP A 107 -7.651 -6.677 -12.147 1.00 0.00 C ATOM 1407 O ASP A 107 -7.755 -7.680 -11.429 1.00 0.00 O ATOM 1408 CB ASP A 107 -8.542 -6.330 -14.463 1.00 0.00 C ATOM 1409 CG ASP A 107 -8.363 -7.777 -14.886 1.00 0.00 C ATOM 1410 OD1 ASP A 107 -7.329 -8.382 -14.547 1.00 0.00 O ATOM 1411 OD2 ASP A 107 -9.250 -8.313 -15.587 1.00 0.00 O ATOM 0 H ASP A 107 -9.139 -4.156 -13.463 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.713 -6.769 -12.708 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.357 -5.888 -15.036 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.639 -5.771 -14.710 1.00 0.00 H new ATOM 1416 N GLU A 108 -6.535 -5.964 -12.235 1.00 0.00 N ATOM 1417 CA GLU A 108 -5.329 -6.360 -11.525 1.00 0.00 C ATOM 1418 C GLU A 108 -5.467 -6.165 -10.023 1.00 0.00 C ATOM 1419 O GLU A 108 -4.993 -6.991 -9.253 1.00 0.00 O ATOM 1420 CB GLU A 108 -4.113 -5.590 -12.037 1.00 0.00 C ATOM 1421 CG GLU A 108 -3.584 -6.101 -13.367 1.00 0.00 C ATOM 1422 CD GLU A 108 -3.121 -7.542 -13.291 1.00 0.00 C ATOM 1423 OE1 GLU A 108 -3.945 -8.451 -13.512 1.00 0.00 O ATOM 1424 OE2 GLU A 108 -1.926 -7.772 -13.011 1.00 0.00 O ATOM 0 H GLU A 108 -6.442 -5.113 -12.789 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.183 -7.423 -11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.377 -4.538 -12.141 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.318 -5.647 -11.293 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.364 -6.013 -14.123 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.754 -5.472 -13.690 1.00 0.00 H new ATOM 1431 N LEU A 109 -6.120 -5.086 -9.596 1.00 0.00 N ATOM 1432 CA LEU A 109 -6.257 -4.822 -8.170 1.00 0.00 C ATOM 1433 C LEU A 109 -7.075 -5.918 -7.511 1.00 0.00 C ATOM 1434 O LEU A 109 -6.754 -6.368 -6.415 1.00 0.00 O ATOM 1435 CB LEU A 109 -6.905 -3.465 -7.893 1.00 0.00 C ATOM 1436 CG LEU A 109 -7.074 -3.145 -6.403 1.00 0.00 C ATOM 1437 CD1 LEU A 109 -5.719 -2.998 -5.725 1.00 0.00 C ATOM 1438 CD2 LEU A 109 -7.907 -1.894 -6.205 1.00 0.00 C ATOM 0 H LEU A 109 -6.554 -4.393 -10.206 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.252 -4.804 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.300 -2.685 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.883 -3.437 -8.373 1.00 0.00 H new ATOM 0 HG LEU A 109 -7.601 -3.979 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.863 -2.771 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.160 -3.929 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.162 -2.189 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.011 -1.691 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.416 -1.050 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.894 -2.041 -6.644 1.00 0.00 H new ATOM 1450 N ASP A 110 -8.129 -6.349 -8.189 1.00 0.00 N ATOM 1451 CA ASP A 110 -8.952 -7.448 -7.702 1.00 0.00 C ATOM 1452 C ASP A 110 -8.105 -8.701 -7.521 1.00 0.00 C ATOM 1453 O ASP A 110 -8.227 -9.407 -6.520 1.00 0.00 O ATOM 1454 CB ASP A 110 -10.106 -7.714 -8.669 1.00 0.00 C ATOM 1455 CG ASP A 110 -10.899 -8.956 -8.315 1.00 0.00 C ATOM 1456 OD1 ASP A 110 -11.550 -8.973 -7.248 1.00 0.00 O ATOM 1457 OD2 ASP A 110 -10.896 -9.909 -9.120 1.00 0.00 O ATOM 0 H ASP A 110 -8.435 -5.955 -9.078 1.00 0.00 H new ATOM 0 HA ASP A 110 -9.370 -7.172 -6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.774 -6.852 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -9.710 -7.818 -9.679 1.00 0.00 H new ATOM 1462 N ALA A 111 -7.218 -8.948 -8.481 1.00 0.00 N ATOM 1463 CA ALA A 111 -6.303 -10.080 -8.404 1.00 0.00 C ATOM 1464 C ALA A 111 -5.303 -9.892 -7.265 1.00 0.00 C ATOM 1465 O ALA A 111 -5.052 -10.815 -6.496 1.00 0.00 O ATOM 1466 CB ALA A 111 -5.577 -10.270 -9.729 1.00 0.00 C ATOM 0 H ALA A 111 -7.114 -8.379 -9.321 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.886 -10.978 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.898 -11.119 -9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.304 -10.456 -10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.008 -9.371 -9.964 1.00 0.00 H new ATOM 1472 N ILE A 112 -4.744 -8.687 -7.161 1.00 0.00 N ATOM 1473 CA ILE A 112 -3.806 -8.350 -6.090 1.00 0.00 C ATOM 1474 C ILE A 112 -4.449 -8.548 -4.720 1.00 0.00 C ATOM 1475 O ILE A 112 -3.882 -9.202 -3.847 1.00 0.00 O ATOM 1476 CB ILE A 112 -3.319 -6.883 -6.214 1.00 0.00 C ATOM 1477 CG1 ILE A 112 -2.533 -6.688 -7.511 1.00 0.00 C ATOM 1478 CG2 ILE A 112 -2.469 -6.485 -5.014 1.00 0.00 C ATOM 1479 CD1 ILE A 112 -2.185 -5.242 -7.793 1.00 0.00 C ATOM 0 H ILE A 112 -4.926 -7.922 -7.811 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.951 -9.019 -6.188 1.00 0.00 H new ATOM 0 HB ILE A 112 -4.197 -6.237 -6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.614 -7.272 -7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.116 -7.082 -8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.141 -5.452 -5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.059 -6.581 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.598 -7.137 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.628 -5.177 -8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.101 -4.657 -7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.575 -4.849 -6.979 1.00 0.00 H new ATOM 1491 N THR A 113 -5.642 -7.992 -4.554 1.00 0.00 N ATOM 1492 CA THR A 113 -6.364 -8.067 -3.292 1.00 0.00 C ATOM 1493 C THR A 113 -6.675 -9.521 -2.935 1.00 0.00 C ATOM 1494 O THR A 113 -6.521 -9.933 -1.786 1.00 0.00 O ATOM 1495 CB THR A 113 -7.673 -7.250 -3.366 1.00 0.00 C ATOM 1496 OG1 THR A 113 -7.393 -5.939 -3.878 1.00 0.00 O ATOM 1497 CG2 THR A 113 -8.323 -7.118 -2.000 1.00 0.00 C ATOM 0 H THR A 113 -6.134 -7.479 -5.286 1.00 0.00 H new ATOM 0 HA THR A 113 -5.730 -7.643 -2.513 1.00 0.00 H new ATOM 0 HB THR A 113 -8.361 -7.778 -4.027 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.442 -5.953 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.241 -6.538 -2.089 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.556 -8.109 -1.611 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.639 -6.612 -1.319 1.00 0.00 H new ATOM 1505 N GLU A 114 -7.091 -10.297 -3.930 1.00 0.00 N ATOM 1506 CA GLU A 114 -7.383 -11.712 -3.730 1.00 0.00 C ATOM 1507 C GLU A 114 -6.109 -12.473 -3.374 1.00 0.00 C ATOM 1508 O GLU A 114 -6.081 -13.251 -2.417 1.00 0.00 O ATOM 1509 CB GLU A 114 -8.014 -12.301 -4.995 1.00 0.00 C ATOM 1510 CG GLU A 114 -8.509 -13.726 -4.827 1.00 0.00 C ATOM 1511 CD GLU A 114 -7.889 -14.681 -5.825 1.00 0.00 C ATOM 1512 OE1 GLU A 114 -8.152 -14.539 -7.037 1.00 0.00 O ATOM 1513 OE2 GLU A 114 -7.140 -15.582 -5.398 1.00 0.00 O ATOM 0 H GLU A 114 -7.234 -9.969 -4.885 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.088 -11.810 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.849 -11.670 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.281 -12.274 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.285 -14.067 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.593 -13.745 -4.937 1.00 0.00 H new ATOM 1520 N LYS A 115 -5.058 -12.229 -4.148 1.00 0.00 N ATOM 1521 CA LYS A 115 -3.766 -12.874 -3.941 1.00 0.00 C ATOM 1522 C LYS A 115 -3.245 -12.633 -2.529 1.00 0.00 C ATOM 1523 O LYS A 115 -2.970 -13.576 -1.797 1.00 0.00 O ATOM 1524 CB LYS A 115 -2.751 -12.359 -4.970 1.00 0.00 C ATOM 1525 CG LYS A 115 -1.313 -12.785 -4.702 1.00 0.00 C ATOM 1526 CD LYS A 115 -1.132 -14.292 -4.781 1.00 0.00 C ATOM 1527 CE LYS A 115 -1.360 -14.816 -6.190 1.00 0.00 C ATOM 1528 NZ LYS A 115 -1.030 -16.257 -6.299 1.00 0.00 N ATOM 0 H LYS A 115 -5.077 -11.580 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.901 -13.948 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.043 -12.712 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.796 -11.270 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.654 -12.304 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.012 -12.437 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -0.126 -14.555 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.827 -14.778 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.401 -14.659 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.750 -14.249 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.198 -16.579 -7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.030 -16.404 -6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.630 -16.801 -5.647 1.00 0.00 H new ATOM 1542 N LEU A 116 -3.130 -11.369 -2.150 1.00 0.00 N ATOM 1543 CA LEU A 116 -2.559 -11.006 -0.859 1.00 0.00 C ATOM 1544 C LEU A 116 -3.435 -11.470 0.297 1.00 0.00 C ATOM 1545 O LEU A 116 -2.933 -11.800 1.366 1.00 0.00 O ATOM 1546 CB LEU A 116 -2.359 -9.499 -0.782 1.00 0.00 C ATOM 1547 CG LEU A 116 -1.326 -8.931 -1.758 1.00 0.00 C ATOM 1548 CD1 LEU A 116 -1.339 -7.412 -1.728 1.00 0.00 C ATOM 1549 CD2 LEU A 116 0.064 -9.454 -1.422 1.00 0.00 C ATOM 0 H LEU A 116 -3.425 -10.575 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.596 -11.509 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.316 -9.011 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.058 -9.239 0.233 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.589 -9.258 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.598 -7.028 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.328 -7.051 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.101 -7.066 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.788 -9.041 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.330 -9.154 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.070 -10.542 -1.492 1.00 0.00 H new ATOM 1561 N ALA A 117 -4.743 -11.496 0.082 1.00 0.00 N ATOM 1562 CA ALA A 117 -5.666 -11.970 1.103 1.00 0.00 C ATOM 1563 C ALA A 117 -5.394 -13.431 1.429 1.00 0.00 C ATOM 1564 O ALA A 117 -5.454 -13.849 2.586 1.00 0.00 O ATOM 1565 CB ALA A 117 -7.103 -11.791 0.643 1.00 0.00 C ATOM 0 H ALA A 117 -5.187 -11.196 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 117 -5.514 -11.379 2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -7.780 -12.150 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.296 -10.735 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -7.265 -12.359 -0.273 1.00 0.00 H new ATOM 1571 N LYS A 118 -5.077 -14.201 0.398 1.00 0.00 N ATOM 1572 CA LYS A 118 -4.800 -15.620 0.554 1.00 0.00 C ATOM 1573 C LYS A 118 -3.324 -15.868 0.842 1.00 0.00 C ATOM 1574 O LYS A 118 -2.952 -16.943 1.322 1.00 0.00 O ATOM 1575 CB LYS A 118 -5.209 -16.374 -0.708 1.00 0.00 C ATOM 1576 CG LYS A 118 -6.688 -16.270 -1.026 1.00 0.00 C ATOM 1577 CD LYS A 118 -7.003 -16.925 -2.356 1.00 0.00 C ATOM 1578 CE LYS A 118 -8.477 -16.815 -2.697 1.00 0.00 C ATOM 1579 NZ LYS A 118 -8.749 -17.267 -4.084 1.00 0.00 N ATOM 0 H LYS A 118 -5.005 -13.863 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 118 -5.380 -15.983 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.637 -15.989 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -4.943 -17.425 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -7.268 -16.746 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -6.985 -15.222 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -6.411 -16.457 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -6.714 -17.975 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -9.059 -17.414 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -8.803 -15.781 -2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -9.667 -16.892 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -7.999 -16.920 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -8.772 -18.306 -4.112 1.00 0.00 H new ATOM 1593 N LEU A 119 -2.485 -14.880 0.553 1.00 0.00 N ATOM 1594 CA LEU A 119 -1.049 -15.023 0.759 1.00 0.00 C ATOM 1595 C LEU A 119 -0.655 -14.371 2.079 1.00 0.00 C ATOM 1596 O LEU A 119 0.528 -14.187 2.361 1.00 0.00 O ATOM 1597 CB LEU A 119 -0.300 -14.345 -0.398 1.00 0.00 C ATOM 1598 CG LEU A 119 0.913 -15.097 -0.970 1.00 0.00 C ATOM 1599 CD1 LEU A 119 1.514 -14.311 -2.122 1.00 0.00 C ATOM 1600 CD2 LEU A 119 1.972 -15.347 0.092 1.00 0.00 C ATOM 0 H LEU A 119 -2.772 -13.976 0.177 1.00 0.00 H new ATOM 0 HA LEU A 119 -0.788 -16.081 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.008 -14.175 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.036 -13.365 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 119 0.564 -16.065 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.373 -14.850 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.767 -14.186 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.834 -13.332 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.813 -15.880 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.317 -14.394 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.546 -15.946 0.897 1.00 0.00 H new ATOM 1612 N GLU A 120 -1.657 -14.084 2.909 1.00 0.00 N ATOM 1613 CA GLU A 120 -1.431 -13.407 4.184 1.00 0.00 C ATOM 1614 C GLU A 120 -0.534 -12.185 3.983 1.00 0.00 C ATOM 1615 O GLU A 120 -0.622 -11.482 2.974 1.00 0.00 O ATOM 1616 CB GLU A 120 -0.783 -14.371 5.182 1.00 0.00 C ATOM 1617 CG GLU A 120 -1.580 -15.641 5.416 1.00 0.00 C ATOM 1618 CD GLU A 120 -0.931 -16.549 6.438 1.00 0.00 C ATOM 1619 OE1 GLU A 120 0.074 -17.208 6.100 1.00 0.00 O ATOM 1620 OE2 GLU A 120 -1.417 -16.599 7.587 1.00 0.00 O ATOM 0 H GLU A 120 -2.634 -14.310 2.721 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.392 -13.077 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.210 -14.638 4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.649 -13.857 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.584 -15.380 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.688 -16.178 4.474 1.00 0.00 H new