USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 990 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 2 SER OG : rot -170:sc= 0.23 USER MOD Set 1.2: A 4 LYS NZ :NH3+ 161:sc= 0.212 (180deg=-0.253) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0129) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 160:sc= -0.0559 (180deg=-0.378) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.2) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.169 (180deg=-0.762) USER MOD Single : A 29 ASN : amide:sc= -0.948 K(o=-0.95,f=-2.6!) USER MOD Single : A 30 SER OG : rot 64:sc= 0.0638 USER MOD Single : A 35 ASN : amide:sc= -0.0917 K(o=-0.092,f=-0.95) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0544 X(o=-0.054,f=-0.016) USER MOD Single : A 45 GLN : amide:sc= -0.895 X(o=-0.9,f=-1.1!) USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00627 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= -3.03! (180deg=-3.03!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.725 X(o=-0.72,f=-0.79) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 111:sc= 0.621 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -11:sc= 1.11 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00704 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= -0.494 (180deg=-1.77!) USER MOD Single : A 94 ASN : amide:sc= -0.0624 X(o=-0.062,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 99 THR OG1 : rot -26:sc= 0.311! USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0285 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 64:sc= 0.563 USER MOD Single : A 113 LYS NZ :NH3+ -163:sc=-0.00686 (180deg=-0.117) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.479 -92.854 -15.651 1.00 15.10 N ATOM 2 CA GLY A 1 11.852 -93.118 -16.035 1.00 5.05 C ATOM 3 C GLY A 1 12.788 -91.986 -15.662 1.00 55.40 C ATOM 4 O GLY A 1 13.037 -91.087 -16.466 1.00 0.53 O ATOM 0 H1 GLY A 1 9.880 -93.658 -15.928 1.00 15.10 H new ATOM 0 H2 GLY A 1 10.426 -92.722 -14.621 1.00 15.10 H new ATOM 0 H3 GLY A 1 10.145 -91.993 -16.128 1.00 15.10 H new ATOM 0 HA2 GLY A 1 12.189 -94.037 -15.555 1.00 5.05 H new ATOM 0 HA3 GLY A 1 11.899 -93.284 -17.111 1.00 5.05 H new ATOM 10 N SER A 2 13.305 -92.027 -14.438 1.00 44.24 N ATOM 11 CA SER A 2 14.214 -90.993 -13.958 1.00 72.03 C ATOM 12 C SER A 2 13.596 -89.607 -14.120 1.00 34.20 C ATOM 13 O SER A 2 14.065 -88.796 -14.918 1.00 20.01 O ATOM 14 CB SER A 2 15.544 -91.062 -14.711 1.00 63.24 C ATOM 15 OG SER A 2 16.473 -90.127 -14.192 1.00 44.03 O ATOM 0 H SER A 2 13.110 -92.765 -13.761 1.00 44.24 H new ATOM 0 HA SER A 2 14.396 -91.169 -12.898 1.00 72.03 H new ATOM 0 HB2 SER A 2 15.956 -92.068 -14.636 1.00 63.24 H new ATOM 0 HB3 SER A 2 15.377 -90.864 -15.770 1.00 63.24 H new ATOM 0 HG SER A 2 17.253 -90.078 -14.784 1.00 44.03 H new ATOM 21 N MET A 3 12.540 -89.344 -13.358 1.00 12.23 N ATOM 22 CA MET A 3 11.857 -88.057 -13.416 1.00 55.53 C ATOM 23 C MET A 3 12.828 -86.913 -13.137 1.00 33.25 C ATOM 24 O MET A 3 13.169 -86.143 -14.033 1.00 45.34 O ATOM 25 CB MET A 3 10.705 -88.020 -12.410 1.00 10.41 C ATOM 26 CG MET A 3 9.558 -88.951 -12.766 1.00 32.45 C ATOM 27 SD MET A 3 7.953 -88.298 -12.267 1.00 70.33 S ATOM 28 CE MET A 3 6.930 -88.828 -13.639 1.00 15.53 C ATOM 0 H MET A 3 12.138 -90.005 -12.693 1.00 12.23 H new ATOM 0 HA MET A 3 11.455 -87.933 -14.422 1.00 55.53 H new ATOM 0 HB2 MET A 3 11.086 -88.286 -11.424 1.00 10.41 H new ATOM 0 HB3 MET A 3 10.326 -87.000 -12.341 1.00 10.41 H new ATOM 0 HG2 MET A 3 9.557 -89.125 -13.842 1.00 32.45 H new ATOM 0 HG3 MET A 3 9.718 -89.917 -12.287 1.00 32.45 H new ATOM 0 HE1 MET A 3 5.904 -88.498 -13.476 1.00 15.53 H new ATOM 0 HE2 MET A 3 7.309 -88.394 -14.564 1.00 15.53 H new ATOM 0 HE3 MET A 3 6.954 -89.915 -13.712 1.00 15.53 H new ATOM 38 N LYS A 4 13.270 -86.810 -11.888 1.00 30.30 N ATOM 39 CA LYS A 4 14.202 -85.762 -11.489 1.00 63.55 C ATOM 40 C LYS A 4 13.639 -84.381 -11.815 1.00 11.42 C ATOM 41 O LYS A 4 13.948 -83.803 -12.857 1.00 53.30 O ATOM 42 CB LYS A 4 15.547 -85.954 -12.193 1.00 21.15 C ATOM 43 CG LYS A 4 16.173 -87.317 -11.948 1.00 70.35 C ATOM 44 CD LYS A 4 17.513 -87.196 -11.241 1.00 23.41 C ATOM 45 CE LYS A 4 18.355 -88.449 -11.428 1.00 61.30 C ATOM 46 NZ LYS A 4 18.845 -88.585 -12.828 1.00 33.21 N ATOM 0 H LYS A 4 12.997 -87.440 -11.134 1.00 30.30 H new ATOM 0 HA LYS A 4 14.349 -85.831 -10.411 1.00 63.55 H new ATOM 0 HB2 LYS A 4 15.410 -85.814 -13.265 1.00 21.15 H new ATOM 0 HB3 LYS A 4 16.237 -85.181 -11.856 1.00 21.15 H new ATOM 0 HG2 LYS A 4 15.497 -87.926 -11.347 1.00 70.35 H new ATOM 0 HG3 LYS A 4 16.307 -87.833 -12.899 1.00 70.35 H new ATOM 0 HD2 LYS A 4 18.053 -86.332 -11.628 1.00 23.41 H new ATOM 0 HD3 LYS A 4 17.350 -87.021 -10.178 1.00 23.41 H new ATOM 0 HE2 LYS A 4 19.206 -88.420 -10.747 1.00 61.30 H new ATOM 0 HE3 LYS A 4 17.764 -89.326 -11.163 1.00 61.30 H new ATOM 0 HZ1 LYS A 4 19.652 -89.241 -12.851 1.00 33.21 H new ATOM 0 HZ2 LYS A 4 18.081 -88.955 -13.429 1.00 33.21 H new ATOM 0 HZ3 LYS A 4 19.145 -87.654 -13.183 1.00 33.21 H new ATOM 60 N LYS A 5 12.813 -83.858 -10.915 1.00 25.15 N ATOM 61 CA LYS A 5 12.209 -82.544 -11.104 1.00 13.34 C ATOM 62 C LYS A 5 12.664 -81.576 -10.017 1.00 55.04 C ATOM 63 O LYS A 5 12.263 -81.693 -8.858 1.00 61.25 O ATOM 64 CB LYS A 5 10.683 -82.655 -11.096 1.00 21.35 C ATOM 65 CG LYS A 5 10.141 -83.516 -9.968 1.00 12.32 C ATOM 66 CD LYS A 5 8.805 -82.999 -9.464 1.00 71.11 C ATOM 67 CE LYS A 5 8.027 -84.083 -8.734 1.00 54.43 C ATOM 68 NZ LYS A 5 7.381 -83.564 -7.496 1.00 64.15 N ATOM 0 H LYS A 5 12.547 -84.324 -10.048 1.00 25.15 H new ATOM 0 HA LYS A 5 12.534 -82.158 -12.070 1.00 13.34 H new ATOM 0 HB2 LYS A 5 10.255 -81.656 -11.017 1.00 21.35 H new ATOM 0 HB3 LYS A 5 10.352 -83.069 -12.049 1.00 21.35 H new ATOM 0 HG2 LYS A 5 10.027 -84.543 -10.316 1.00 12.32 H new ATOM 0 HG3 LYS A 5 10.858 -83.535 -9.147 1.00 12.32 H new ATOM 0 HD2 LYS A 5 8.970 -82.155 -8.795 1.00 71.11 H new ATOM 0 HD3 LYS A 5 8.216 -82.630 -10.304 1.00 71.11 H new ATOM 0 HE2 LYS A 5 7.265 -84.492 -9.397 1.00 54.43 H new ATOM 0 HE3 LYS A 5 8.699 -84.902 -8.477 1.00 54.43 H new ATOM 0 HZ1 LYS A 5 6.861 -84.333 -7.027 1.00 64.15 H new ATOM 0 HZ2 LYS A 5 8.110 -83.197 -6.852 1.00 64.15 H new ATOM 0 HZ3 LYS A 5 6.721 -82.800 -7.743 1.00 64.15 H new ATOM 82 N LYS A 6 13.503 -80.618 -10.396 1.00 20.50 N ATOM 83 CA LYS A 6 14.010 -79.627 -9.455 1.00 43.03 C ATOM 84 C LYS A 6 14.092 -78.250 -10.107 1.00 41.43 C ATOM 85 O LYS A 6 13.961 -78.121 -11.324 1.00 10.31 O ATOM 86 CB LYS A 6 15.390 -80.042 -8.940 1.00 45.54 C ATOM 87 CG LYS A 6 16.420 -80.227 -10.041 1.00 34.15 C ATOM 88 CD LYS A 6 17.773 -80.625 -9.477 1.00 15.25 C ATOM 89 CE LYS A 6 18.165 -82.030 -9.908 1.00 22.12 C ATOM 90 NZ LYS A 6 18.484 -82.096 -11.361 1.00 60.42 N ATOM 0 H LYS A 6 13.847 -80.507 -11.350 1.00 20.50 H new ATOM 0 HA LYS A 6 13.317 -79.572 -8.615 1.00 43.03 H new ATOM 0 HB2 LYS A 6 15.750 -79.287 -8.241 1.00 45.54 H new ATOM 0 HB3 LYS A 6 15.295 -80.974 -8.382 1.00 45.54 H new ATOM 0 HG2 LYS A 6 16.076 -80.991 -10.738 1.00 34.15 H new ATOM 0 HG3 LYS A 6 16.519 -79.301 -10.607 1.00 34.15 H new ATOM 0 HD2 LYS A 6 18.531 -79.916 -9.811 1.00 15.25 H new ATOM 0 HD3 LYS A 6 17.745 -80.572 -8.389 1.00 15.25 H new ATOM 0 HE2 LYS A 6 19.029 -82.359 -9.331 1.00 22.12 H new ATOM 0 HE3 LYS A 6 17.351 -82.719 -9.683 1.00 22.12 H new ATOM 0 HZ1 LYS A 6 18.875 -83.032 -11.588 1.00 60.42 H new ATOM 0 HZ2 LYS A 6 17.617 -81.939 -11.914 1.00 60.42 H new ATOM 0 HZ3 LYS A 6 19.183 -81.363 -11.597 1.00 60.42 H new ATOM 104 N GLU A 7 14.311 -77.225 -9.290 1.00 14.22 N ATOM 105 CA GLU A 7 14.411 -75.858 -9.788 1.00 0.42 C ATOM 106 C GLU A 7 13.130 -75.446 -10.505 1.00 64.35 C ATOM 107 O GLU A 7 12.184 -76.227 -10.611 1.00 54.45 O ATOM 108 CB GLU A 7 15.606 -75.724 -10.736 1.00 51.12 C ATOM 109 CG GLU A 7 16.928 -76.137 -10.111 1.00 52.22 C ATOM 110 CD GLU A 7 18.079 -75.252 -10.545 1.00 42.41 C ATOM 111 OE1 GLU A 7 18.177 -74.115 -10.039 1.00 53.43 O ATOM 112 OE2 GLU A 7 18.884 -75.696 -11.391 1.00 73.10 O ATOM 0 H GLU A 7 14.423 -77.315 -8.280 1.00 14.22 H new ATOM 0 HA GLU A 7 14.557 -75.196 -8.934 1.00 0.42 H new ATOM 0 HB2 GLU A 7 15.426 -76.333 -11.622 1.00 51.12 H new ATOM 0 HB3 GLU A 7 15.679 -74.689 -11.070 1.00 51.12 H new ATOM 0 HG2 GLU A 7 16.838 -76.104 -9.025 1.00 52.22 H new ATOM 0 HG3 GLU A 7 17.147 -77.170 -10.382 1.00 52.22 H new ATOM 119 N LYS A 8 13.106 -74.213 -10.999 1.00 62.25 N ATOM 120 CA LYS A 8 11.942 -73.694 -11.708 1.00 60.03 C ATOM 121 C LYS A 8 12.291 -73.357 -13.155 1.00 3.11 C ATOM 122 O LYS A 8 13.464 -73.277 -13.518 1.00 53.13 O ATOM 123 CB LYS A 8 11.401 -72.449 -11.001 1.00 33.10 C ATOM 124 CG LYS A 8 10.267 -72.744 -10.034 1.00 12.51 C ATOM 125 CD LYS A 8 10.758 -72.786 -8.596 1.00 32.32 C ATOM 126 CE LYS A 8 9.638 -73.160 -7.636 1.00 60.25 C ATOM 127 NZ LYS A 8 9.873 -74.485 -7.000 1.00 14.41 N ATOM 0 H LYS A 8 13.880 -73.554 -10.921 1.00 62.25 H new ATOM 0 HA LYS A 8 11.174 -74.468 -11.708 1.00 60.03 H new ATOM 0 HB2 LYS A 8 12.214 -71.967 -10.458 1.00 33.10 H new ATOM 0 HB3 LYS A 8 11.053 -71.738 -11.750 1.00 33.10 H new ATOM 0 HG2 LYS A 8 9.495 -71.981 -10.134 1.00 12.51 H new ATOM 0 HG3 LYS A 8 9.807 -73.698 -10.291 1.00 12.51 H new ATOM 0 HD2 LYS A 8 11.570 -73.508 -8.508 1.00 32.32 H new ATOM 0 HD3 LYS A 8 11.165 -71.813 -8.321 1.00 32.32 H new ATOM 0 HE2 LYS A 8 9.552 -72.396 -6.863 1.00 60.25 H new ATOM 0 HE3 LYS A 8 8.690 -73.178 -8.173 1.00 60.25 H new ATOM 0 HZ1 LYS A 8 9.088 -74.704 -6.353 1.00 14.41 H new ATOM 0 HZ2 LYS A 8 9.930 -75.218 -7.736 1.00 14.41 H new ATOM 0 HZ3 LYS A 8 10.765 -74.460 -6.466 1.00 14.41 H new ATOM 141 N GLY A 9 11.265 -73.161 -13.977 1.00 13.10 N ATOM 142 CA GLY A 9 11.485 -72.834 -15.373 1.00 41.10 C ATOM 143 C GLY A 9 10.534 -71.766 -15.875 1.00 63.05 C ATOM 144 O GLY A 9 9.358 -71.749 -15.511 1.00 45.02 O ATOM 0 H GLY A 9 10.285 -73.223 -13.701 1.00 13.10 H new ATOM 0 HA2 GLY A 9 12.512 -72.493 -15.506 1.00 41.10 H new ATOM 0 HA3 GLY A 9 11.367 -73.734 -15.977 1.00 41.10 H new ATOM 148 N LYS A 10 11.044 -70.868 -16.713 1.00 2.24 N ATOM 149 CA LYS A 10 10.234 -69.790 -17.266 1.00 12.34 C ATOM 150 C LYS A 10 9.861 -70.079 -18.716 1.00 61.11 C ATOM 151 O LYS A 10 10.715 -70.057 -19.602 1.00 33.44 O ATOM 152 CB LYS A 10 10.988 -68.461 -17.177 1.00 51.12 C ATOM 153 CG LYS A 10 10.826 -67.758 -15.840 1.00 21.24 C ATOM 154 CD LYS A 10 12.065 -66.957 -15.479 1.00 14.34 C ATOM 155 CE LYS A 10 12.339 -66.997 -13.983 1.00 75.31 C ATOM 156 NZ LYS A 10 13.770 -67.282 -13.688 1.00 21.31 N ATOM 0 H LYS A 10 12.016 -70.867 -17.024 1.00 2.24 H new ATOM 0 HA LYS A 10 9.317 -69.721 -16.681 1.00 12.34 H new ATOM 0 HB2 LYS A 10 12.048 -68.641 -17.357 1.00 51.12 H new ATOM 0 HB3 LYS A 10 10.638 -67.800 -17.970 1.00 51.12 H new ATOM 0 HG2 LYS A 10 9.961 -67.095 -15.878 1.00 21.24 H new ATOM 0 HG3 LYS A 10 10.628 -68.495 -15.062 1.00 21.24 H new ATOM 0 HD2 LYS A 10 12.925 -67.353 -16.018 1.00 14.34 H new ATOM 0 HD3 LYS A 10 11.937 -65.923 -15.799 1.00 14.34 H new ATOM 0 HE2 LYS A 10 12.060 -66.042 -13.537 1.00 75.31 H new ATOM 0 HE3 LYS A 10 11.714 -67.760 -13.520 1.00 75.31 H new ATOM 0 HZ1 LYS A 10 13.915 -67.301 -12.658 1.00 21.31 H new ATOM 0 HZ2 LYS A 10 14.031 -68.205 -14.091 1.00 21.31 H new ATOM 0 HZ3 LYS A 10 14.365 -66.540 -14.108 1.00 21.31 H new ATOM 170 N GLU A 11 8.579 -70.347 -18.950 1.00 25.34 N ATOM 171 CA GLU A 11 8.095 -70.639 -20.295 1.00 34.42 C ATOM 172 C GLU A 11 8.050 -69.373 -21.144 1.00 21.21 C ATOM 173 O GLU A 11 7.909 -68.260 -20.637 1.00 71.55 O ATOM 174 CB GLU A 11 6.705 -71.275 -20.232 1.00 52.01 C ATOM 175 CG GLU A 11 5.668 -70.403 -19.544 1.00 34.53 C ATOM 176 CD GLU A 11 4.346 -71.120 -19.341 1.00 53.23 C ATOM 177 OE1 GLU A 11 3.669 -71.414 -20.348 1.00 51.04 O ATOM 178 OE2 GLU A 11 3.989 -71.385 -18.174 1.00 24.45 O ATOM 0 H GLU A 11 7.859 -70.368 -18.228 1.00 25.34 H new ATOM 0 HA GLU A 11 8.788 -71.341 -20.759 1.00 34.42 H new ATOM 0 HB2 GLU A 11 6.369 -71.494 -21.245 1.00 52.01 H new ATOM 0 HB3 GLU A 11 6.774 -72.227 -19.706 1.00 52.01 H new ATOM 0 HG2 GLU A 11 6.054 -70.080 -18.577 1.00 34.53 H new ATOM 0 HG3 GLU A 11 5.502 -69.504 -20.138 1.00 34.53 H new ATOM 185 N PRO A 12 8.172 -69.545 -22.469 1.00 22.31 N ATOM 186 CA PRO A 12 8.149 -68.428 -23.418 1.00 75.03 C ATOM 187 C PRO A 12 6.767 -67.792 -23.529 1.00 45.13 C ATOM 188 O PRO A 12 5.847 -68.377 -24.099 1.00 70.11 O ATOM 189 CB PRO A 12 8.546 -69.080 -24.744 1.00 54.25 C ATOM 190 CG PRO A 12 8.152 -70.509 -24.596 1.00 51.03 C ATOM 191 CD PRO A 12 8.344 -70.843 -23.143 1.00 32.21 C ATOM 0 HA PRO A 12 8.811 -67.618 -23.111 1.00 75.03 H new ATOM 0 HB2 PRO A 12 8.033 -68.613 -25.584 1.00 54.25 H new ATOM 0 HB3 PRO A 12 9.616 -68.981 -24.929 1.00 54.25 H new ATOM 0 HG2 PRO A 12 7.116 -70.661 -24.898 1.00 51.03 H new ATOM 0 HG3 PRO A 12 8.766 -71.151 -25.228 1.00 51.03 H new ATOM 0 HD2 PRO A 12 7.613 -71.574 -22.799 1.00 32.21 H new ATOM 0 HD3 PRO A 12 9.331 -71.266 -22.955 1.00 32.21 H new ATOM 199 N LYS A 13 6.629 -66.589 -22.981 1.00 61.35 N ATOM 200 CA LYS A 13 5.361 -65.871 -23.021 1.00 54.11 C ATOM 201 C LYS A 13 4.902 -65.654 -24.460 1.00 33.20 C ATOM 202 O LYS A 13 5.528 -64.913 -25.215 1.00 5.11 O ATOM 203 CB LYS A 13 5.492 -64.523 -22.308 1.00 62.25 C ATOM 204 CG LYS A 13 6.004 -64.635 -20.883 1.00 3.24 C ATOM 205 CD LYS A 13 6.251 -63.268 -20.269 1.00 54.14 C ATOM 206 CE LYS A 13 4.944 -62.571 -19.917 1.00 24.45 C ATOM 207 NZ LYS A 13 4.202 -63.292 -18.846 1.00 11.13 N ATOM 0 H LYS A 13 7.380 -66.091 -22.504 1.00 61.35 H new ATOM 0 HA LYS A 13 4.614 -66.476 -22.508 1.00 54.11 H new ATOM 0 HB2 LYS A 13 6.167 -63.884 -22.878 1.00 62.25 H new ATOM 0 HB3 LYS A 13 4.519 -64.031 -22.298 1.00 62.25 H new ATOM 0 HG2 LYS A 13 5.281 -65.181 -20.278 1.00 3.24 H new ATOM 0 HG3 LYS A 13 6.929 -65.212 -20.872 1.00 3.24 H new ATOM 0 HD2 LYS A 13 6.861 -63.376 -19.372 1.00 54.14 H new ATOM 0 HD3 LYS A 13 6.817 -62.651 -20.967 1.00 54.14 H new ATOM 0 HE2 LYS A 13 5.152 -61.552 -19.592 1.00 24.45 H new ATOM 0 HE3 LYS A 13 4.319 -62.500 -20.807 1.00 24.45 H new ATOM 0 HZ1 LYS A 13 3.520 -62.645 -18.400 1.00 11.13 H new ATOM 0 HZ2 LYS A 13 3.694 -64.100 -19.259 1.00 11.13 H new ATOM 0 HZ3 LYS A 13 4.873 -63.635 -18.130 1.00 11.13 H new ATOM 221 N ALA A 14 3.804 -66.306 -24.830 1.00 31.05 N ATOM 222 CA ALA A 14 3.260 -66.182 -26.177 1.00 2.11 C ATOM 223 C ALA A 14 2.763 -64.764 -26.439 1.00 5.15 C ATOM 224 O ALA A 14 2.875 -64.254 -27.555 1.00 54.14 O ATOM 225 CB ALA A 14 2.136 -67.185 -26.387 1.00 53.31 C ATOM 0 H ALA A 14 3.274 -66.925 -24.216 1.00 31.05 H new ATOM 0 HA ALA A 14 4.059 -66.396 -26.887 1.00 2.11 H new ATOM 0 HB1 ALA A 14 1.739 -67.081 -27.397 1.00 53.31 H new ATOM 0 HB2 ALA A 14 2.520 -68.196 -26.250 1.00 53.31 H new ATOM 0 HB3 ALA A 14 1.342 -66.998 -25.664 1.00 53.31 H new ATOM 231 N ASP A 15 2.215 -64.134 -25.407 1.00 71.22 N ATOM 232 CA ASP A 15 1.702 -62.775 -25.526 1.00 71.44 C ATOM 233 C ASP A 15 0.580 -62.706 -26.559 1.00 25.23 C ATOM 234 O ASP A 15 0.278 -63.694 -27.228 1.00 52.31 O ATOM 235 CB ASP A 15 2.826 -61.813 -25.912 1.00 53.52 C ATOM 236 CG ASP A 15 2.724 -60.483 -25.190 1.00 1.35 C ATOM 237 OD1 ASP A 15 2.460 -60.490 -23.970 1.00 13.43 O ATOM 238 OD2 ASP A 15 2.910 -59.437 -25.846 1.00 14.51 O ATOM 0 H ASP A 15 2.114 -64.543 -24.478 1.00 71.22 H new ATOM 0 HA ASP A 15 1.299 -62.480 -24.557 1.00 71.44 H new ATOM 0 HB2 ASP A 15 3.788 -62.273 -25.685 1.00 53.52 H new ATOM 0 HB3 ASP A 15 2.800 -61.642 -26.988 1.00 53.52 H new ATOM 243 N ALA A 16 -0.032 -61.533 -26.683 1.00 21.41 N ATOM 244 CA ALA A 16 -1.119 -61.335 -27.635 1.00 31.35 C ATOM 245 C ALA A 16 -0.996 -59.987 -28.336 1.00 52.41 C ATOM 246 O ALA A 16 -0.436 -59.040 -27.784 1.00 4.24 O ATOM 247 CB ALA A 16 -2.463 -61.447 -26.932 1.00 74.10 C ATOM 0 H ALA A 16 0.206 -60.705 -26.136 1.00 21.41 H new ATOM 0 HA ALA A 16 -1.052 -62.116 -28.393 1.00 31.35 H new ATOM 0 HB1 ALA A 16 -3.265 -61.297 -27.655 1.00 74.10 H new ATOM 0 HB2 ALA A 16 -2.558 -62.436 -26.484 1.00 74.10 H new ATOM 0 HB3 ALA A 16 -2.530 -60.688 -26.153 1.00 74.10 H new ATOM 253 N GLU A 17 -1.523 -59.908 -29.554 1.00 53.51 N ATOM 254 CA GLU A 17 -1.470 -58.674 -30.329 1.00 63.23 C ATOM 255 C GLU A 17 -2.607 -57.736 -29.937 1.00 74.21 C ATOM 256 O GLU A 17 -3.552 -58.137 -29.256 1.00 64.33 O ATOM 257 CB GLU A 17 -1.542 -58.983 -31.826 1.00 70.31 C ATOM 258 CG GLU A 17 -0.447 -59.920 -32.307 1.00 30.42 C ATOM 259 CD GLU A 17 0.459 -59.277 -33.339 1.00 33.10 C ATOM 260 OE1 GLU A 17 1.464 -58.654 -32.940 1.00 2.14 O ATOM 261 OE2 GLU A 17 0.161 -59.397 -34.546 1.00 10.43 O ATOM 0 H GLU A 17 -1.991 -60.683 -30.025 1.00 53.51 H new ATOM 0 HA GLU A 17 -0.523 -58.179 -30.112 1.00 63.23 H new ATOM 0 HB2 GLU A 17 -2.512 -59.426 -32.051 1.00 70.31 H new ATOM 0 HB3 GLU A 17 -1.481 -58.049 -32.385 1.00 70.31 H new ATOM 0 HG2 GLU A 17 0.151 -60.242 -31.454 1.00 30.42 H new ATOM 0 HG3 GLU A 17 -0.901 -60.814 -32.734 1.00 30.42 H new ATOM 268 N CYS A 18 -2.511 -56.484 -30.371 1.00 44.31 N ATOM 269 CA CYS A 18 -3.529 -55.486 -30.066 1.00 32.42 C ATOM 270 C CYS A 18 -3.910 -54.698 -31.316 1.00 21.34 C ATOM 271 O CYS A 18 -3.273 -53.701 -31.652 1.00 53.41 O ATOM 272 CB CYS A 18 -3.028 -54.532 -28.980 1.00 71.44 C ATOM 273 SG CYS A 18 -3.858 -54.734 -27.371 1.00 62.52 S ATOM 0 H CYS A 18 -1.737 -56.136 -30.936 1.00 44.31 H new ATOM 0 HA CYS A 18 -4.415 -56.006 -29.702 1.00 32.42 H new ATOM 0 HB2 CYS A 18 -1.957 -54.682 -28.845 1.00 71.44 H new ATOM 0 HB3 CYS A 18 -3.165 -53.506 -29.321 1.00 71.44 H new ATOM 279 N SER A 19 -4.955 -55.153 -31.999 1.00 23.51 N ATOM 280 CA SER A 19 -5.420 -54.494 -33.214 1.00 72.20 C ATOM 281 C SER A 19 -6.442 -53.409 -32.886 1.00 31.44 C ATOM 282 O SER A 19 -6.616 -52.457 -33.645 1.00 43.52 O ATOM 283 CB SER A 19 -6.033 -55.517 -34.173 1.00 51.04 C ATOM 284 OG SER A 19 -5.614 -56.832 -33.852 1.00 52.12 O ATOM 0 H SER A 19 -5.496 -55.975 -31.732 1.00 23.51 H new ATOM 0 HA SER A 19 -4.561 -54.026 -33.696 1.00 72.20 H new ATOM 0 HB2 SER A 19 -7.120 -55.457 -34.127 1.00 51.04 H new ATOM 0 HB3 SER A 19 -5.744 -55.279 -35.197 1.00 51.04 H new ATOM 0 HG SER A 19 -6.021 -57.467 -34.478 1.00 52.12 H new ATOM 290 N GLU A 20 -7.116 -53.564 -31.751 1.00 11.53 N ATOM 291 CA GLU A 20 -8.122 -52.599 -31.323 1.00 3.04 C ATOM 292 C GLU A 20 -7.635 -51.806 -30.113 1.00 33.43 C ATOM 293 O GLU A 20 -8.187 -51.922 -29.019 1.00 31.13 O ATOM 294 CB GLU A 20 -9.433 -53.312 -30.985 1.00 72.13 C ATOM 295 CG GLU A 20 -9.257 -54.506 -30.063 1.00 11.22 C ATOM 296 CD GLU A 20 -8.997 -55.794 -30.819 1.00 30.33 C ATOM 297 OE1 GLU A 20 -9.976 -56.436 -31.255 1.00 42.04 O ATOM 298 OE2 GLU A 20 -7.814 -56.161 -30.976 1.00 4.15 O ATOM 0 H GLU A 20 -6.984 -54.348 -31.112 1.00 11.53 H new ATOM 0 HA GLU A 20 -8.296 -51.905 -32.145 1.00 3.04 H new ATOM 0 HB2 GLU A 20 -10.114 -52.600 -30.518 1.00 72.13 H new ATOM 0 HB3 GLU A 20 -9.905 -53.644 -31.910 1.00 72.13 H new ATOM 0 HG2 GLU A 20 -8.428 -54.315 -29.382 1.00 11.22 H new ATOM 0 HG3 GLU A 20 -10.151 -54.623 -29.451 1.00 11.22 H new ATOM 305 N TRP A 21 -6.598 -51.002 -30.320 1.00 15.44 N ATOM 306 CA TRP A 21 -6.036 -50.190 -29.246 1.00 75.11 C ATOM 307 C TRP A 21 -7.112 -49.330 -28.594 1.00 52.00 C ATOM 308 O TRP A 21 -7.652 -48.417 -29.219 1.00 72.51 O ATOM 309 CB TRP A 21 -4.913 -49.303 -29.785 1.00 43.22 C ATOM 310 CG TRP A 21 -3.545 -49.868 -29.550 1.00 14.23 C ATOM 311 CD1 TRP A 21 -2.979 -50.937 -30.183 1.00 20.23 C ATOM 312 CD2 TRP A 21 -2.571 -49.394 -28.613 1.00 33.11 C ATOM 313 NE1 TRP A 21 -1.713 -51.157 -29.697 1.00 71.20 N ATOM 314 CE2 TRP A 21 -1.439 -50.223 -28.734 1.00 1.32 C ATOM 315 CE3 TRP A 21 -2.545 -48.349 -27.686 1.00 42.31 C ATOM 316 CZ2 TRP A 21 -0.296 -50.037 -27.961 1.00 22.24 C ATOM 317 CZ3 TRP A 21 -1.410 -48.167 -26.920 1.00 1.41 C ATOM 318 CH2 TRP A 21 -0.297 -49.006 -27.061 1.00 33.21 C ATOM 0 H TRP A 21 -6.130 -50.895 -31.220 1.00 15.44 H new ATOM 0 HA TRP A 21 -5.628 -50.862 -28.491 1.00 75.11 H new ATOM 0 HB2 TRP A 21 -5.058 -49.155 -30.855 1.00 43.22 H new ATOM 0 HB3 TRP A 21 -4.978 -48.321 -29.316 1.00 43.22 H new ATOM 0 HD1 TRP A 21 -3.457 -51.524 -30.953 1.00 20.23 H new ATOM 0 HE1 TRP A 21 -1.080 -51.896 -30.004 1.00 71.20 H new ATOM 0 HE3 TRP A 21 -3.397 -47.695 -27.570 1.00 42.31 H new ATOM 0 HZ2 TRP A 21 0.562 -50.684 -28.068 1.00 22.24 H new ATOM 0 HZ3 TRP A 21 -1.380 -47.363 -26.199 1.00 1.41 H new ATOM 0 HH2 TRP A 21 0.576 -48.836 -26.448 1.00 33.21 H new ATOM 329 N GLN A 22 -7.418 -49.625 -27.335 1.00 32.43 N ATOM 330 CA GLN A 22 -8.431 -48.878 -26.599 1.00 21.21 C ATOM 331 C GLN A 22 -8.000 -47.429 -26.399 1.00 3.44 C ATOM 332 O GLN A 22 -7.214 -47.124 -25.502 1.00 43.24 O ATOM 333 CB GLN A 22 -8.697 -49.535 -25.244 1.00 33.04 C ATOM 334 CG GLN A 22 -9.185 -50.972 -25.349 1.00 43.34 C ATOM 335 CD GLN A 22 -10.360 -51.120 -26.295 1.00 31.22 C ATOM 336 OE1 GLN A 22 -11.340 -50.379 -26.207 1.00 2.21 O ATOM 337 NE2 GLN A 22 -10.269 -52.082 -27.207 1.00 54.10 N ATOM 0 H GLN A 22 -6.979 -50.376 -26.803 1.00 32.43 H new ATOM 0 HA GLN A 22 -9.350 -48.887 -27.185 1.00 21.21 H new ATOM 0 HB2 GLN A 22 -7.781 -49.513 -24.653 1.00 33.04 H new ATOM 0 HB3 GLN A 22 -9.439 -48.947 -24.704 1.00 33.04 H new ATOM 0 HG2 GLN A 22 -8.366 -51.606 -25.690 1.00 43.34 H new ATOM 0 HG3 GLN A 22 -9.473 -51.328 -24.360 1.00 43.34 H new ATOM 0 HE21 GLN A 22 -9.438 -52.673 -27.244 1.00 54.10 H new ATOM 0 HE22 GLN A 22 -11.030 -52.230 -27.870 1.00 54.10 H new ATOM 346 N TYR A 23 -8.517 -46.541 -27.240 1.00 72.25 N ATOM 347 CA TYR A 23 -8.183 -45.124 -27.157 1.00 41.43 C ATOM 348 C TYR A 23 -9.027 -44.426 -26.095 1.00 33.53 C ATOM 349 O TYR A 23 -10.176 -44.797 -25.857 1.00 43.22 O ATOM 350 CB TYR A 23 -8.391 -44.449 -28.514 1.00 20.04 C ATOM 351 CG TYR A 23 -7.766 -45.203 -29.666 1.00 71.44 C ATOM 352 CD1 TYR A 23 -6.455 -45.657 -29.597 1.00 53.33 C ATOM 353 CD2 TYR A 23 -8.487 -45.460 -30.826 1.00 31.15 C ATOM 354 CE1 TYR A 23 -5.880 -46.346 -30.647 1.00 52.32 C ATOM 355 CE2 TYR A 23 -7.921 -46.149 -31.881 1.00 3.43 C ATOM 356 CZ TYR A 23 -6.617 -46.589 -31.786 1.00 23.51 C ATOM 357 OH TYR A 23 -6.049 -47.275 -32.836 1.00 1.33 O ATOM 0 H TYR A 23 -9.169 -46.777 -27.988 1.00 72.25 H new ATOM 0 HA TYR A 23 -7.134 -45.041 -26.874 1.00 41.43 H new ATOM 0 HB2 TYR A 23 -9.460 -44.342 -28.698 1.00 20.04 H new ATOM 0 HB3 TYR A 23 -7.972 -43.443 -28.479 1.00 20.04 H new ATOM 0 HD1 TYR A 23 -5.875 -45.468 -28.706 1.00 53.33 H new ATOM 0 HD2 TYR A 23 -9.507 -45.115 -30.904 1.00 31.15 H new ATOM 0 HE1 TYR A 23 -4.859 -46.692 -30.576 1.00 52.32 H new ATOM 0 HE2 TYR A 23 -8.496 -46.342 -32.775 1.00 3.43 H new ATOM 0 HH TYR A 23 -6.702 -47.363 -33.561 1.00 1.33 H new ATOM 367 N GLY A 24 -8.448 -43.411 -25.460 1.00 21.31 N ATOM 368 CA GLY A 24 -9.161 -42.677 -24.431 1.00 20.00 C ATOM 369 C GLY A 24 -9.846 -41.438 -24.973 1.00 42.34 C ATOM 370 O GLY A 24 -9.863 -41.207 -26.183 1.00 51.00 O ATOM 0 H GLY A 24 -7.499 -43.084 -25.640 1.00 21.31 H new ATOM 0 HA2 GLY A 24 -9.905 -43.329 -23.973 1.00 20.00 H new ATOM 0 HA3 GLY A 24 -8.463 -42.388 -23.645 1.00 20.00 H new ATOM 374 N LYS A 25 -10.413 -40.638 -24.077 1.00 60.53 N ATOM 375 CA LYS A 25 -11.105 -39.416 -24.470 1.00 44.41 C ATOM 376 C LYS A 25 -10.156 -38.462 -25.191 1.00 32.43 C ATOM 377 O LYS A 25 -8.939 -38.529 -25.013 1.00 21.33 O ATOM 378 CB LYS A 25 -11.702 -38.726 -23.242 1.00 42.14 C ATOM 379 CG LYS A 25 -10.714 -37.845 -22.498 1.00 13.25 C ATOM 380 CD LYS A 25 -9.540 -38.651 -21.966 1.00 22.43 C ATOM 381 CE LYS A 25 -8.944 -38.013 -20.721 1.00 1.05 C ATOM 382 NZ LYS A 25 -9.925 -37.955 -19.603 1.00 35.32 N ATOM 0 H LYS A 25 -10.407 -40.814 -23.072 1.00 60.53 H new ATOM 0 HA LYS A 25 -11.909 -39.687 -25.154 1.00 44.41 H new ATOM 0 HB2 LYS A 25 -12.553 -38.120 -23.554 1.00 42.14 H new ATOM 0 HB3 LYS A 25 -12.085 -39.485 -22.560 1.00 42.14 H new ATOM 0 HG2 LYS A 25 -10.348 -37.064 -23.164 1.00 13.25 H new ATOM 0 HG3 LYS A 25 -11.220 -37.347 -21.671 1.00 13.25 H new ATOM 0 HD2 LYS A 25 -9.868 -39.664 -21.735 1.00 22.43 H new ATOM 0 HD3 LYS A 25 -8.774 -38.732 -22.737 1.00 22.43 H new ATOM 0 HE2 LYS A 25 -8.068 -38.580 -20.406 1.00 1.05 H new ATOM 0 HE3 LYS A 25 -8.603 -37.005 -20.957 1.00 1.05 H new ATOM 0 HZ1 LYS A 25 -9.418 -37.960 -18.695 1.00 35.32 H new ATOM 0 HZ2 LYS A 25 -10.488 -37.084 -19.680 1.00 35.32 H new ATOM 0 HZ3 LYS A 25 -10.556 -38.780 -19.652 1.00 35.32 H new ATOM 396 N CYS A 26 -10.720 -37.575 -26.003 1.00 23.32 N ATOM 397 CA CYS A 26 -9.925 -36.608 -26.750 1.00 41.01 C ATOM 398 C CYS A 26 -10.048 -35.215 -26.138 1.00 12.14 C ATOM 399 O CYS A 26 -11.104 -34.587 -26.203 1.00 61.24 O ATOM 400 CB CYS A 26 -10.369 -36.574 -28.214 1.00 11.50 C ATOM 401 SG CYS A 26 -9.246 -37.448 -29.351 1.00 45.32 S ATOM 0 H CYS A 26 -11.725 -37.506 -26.161 1.00 23.32 H new ATOM 0 HA CYS A 26 -8.881 -36.917 -26.701 1.00 41.01 H new ATOM 0 HB2 CYS A 26 -11.363 -37.015 -28.292 1.00 11.50 H new ATOM 0 HB3 CYS A 26 -10.455 -35.535 -28.533 1.00 11.50 H new ATOM 407 N VAL A 27 -8.959 -34.739 -25.542 1.00 40.52 N ATOM 408 CA VAL A 27 -8.943 -33.420 -24.919 1.00 34.55 C ATOM 409 C VAL A 27 -8.014 -32.471 -25.666 1.00 25.21 C ATOM 410 O VAL A 27 -6.855 -32.783 -25.939 1.00 1.52 O ATOM 411 CB VAL A 27 -8.500 -33.502 -23.446 1.00 40.31 C ATOM 412 CG1 VAL A 27 -7.326 -34.458 -23.293 1.00 51.35 C ATOM 413 CG2 VAL A 27 -8.144 -32.119 -22.920 1.00 61.22 C ATOM 0 H VAL A 27 -8.077 -35.247 -25.477 1.00 40.52 H new ATOM 0 HA VAL A 27 -9.962 -33.035 -24.964 1.00 34.55 H new ATOM 0 HB VAL A 27 -9.331 -33.888 -22.856 1.00 40.31 H new ATOM 0 HG11 VAL A 27 -7.027 -34.503 -22.246 1.00 51.35 H new ATOM 0 HG12 VAL A 27 -7.620 -35.452 -23.629 1.00 51.35 H new ATOM 0 HG13 VAL A 27 -6.488 -34.105 -23.894 1.00 51.35 H new ATOM 0 HG21 VAL A 27 -7.833 -32.195 -21.878 1.00 61.22 H new ATOM 0 HG22 VAL A 27 -7.329 -31.703 -23.512 1.00 61.22 H new ATOM 0 HG23 VAL A 27 -9.015 -31.467 -22.992 1.00 61.22 H new ATOM 423 N PRO A 28 -8.534 -31.282 -26.007 1.00 10.43 N ATOM 424 CA PRO A 28 -7.766 -30.260 -26.727 1.00 35.41 C ATOM 425 C PRO A 28 -6.670 -29.645 -25.866 1.00 5.12 C ATOM 426 O PRO A 28 -6.949 -28.924 -24.908 1.00 63.51 O ATOM 427 CB PRO A 28 -8.822 -29.210 -27.081 1.00 41.54 C ATOM 428 CG PRO A 28 -9.884 -29.377 -26.050 1.00 33.15 C ATOM 429 CD PRO A 28 -9.908 -30.842 -25.714 1.00 31.04 C ATOM 0 HA PRO A 28 -7.248 -30.673 -27.593 1.00 35.41 H new ATOM 0 HB2 PRO A 28 -8.403 -28.204 -27.058 1.00 41.54 H new ATOM 0 HB3 PRO A 28 -9.216 -29.368 -28.085 1.00 41.54 H new ATOM 0 HG2 PRO A 28 -9.667 -28.777 -25.166 1.00 33.15 H new ATOM 0 HG3 PRO A 28 -10.851 -29.048 -26.429 1.00 33.15 H new ATOM 0 HD2 PRO A 28 -10.170 -31.010 -24.669 1.00 31.04 H new ATOM 0 HD3 PRO A 28 -10.639 -31.380 -26.317 1.00 31.04 H new ATOM 437 N ASN A 29 -5.419 -29.934 -26.213 1.00 71.13 N ATOM 438 CA ASN A 29 -4.279 -29.408 -25.471 1.00 5.23 C ATOM 439 C ASN A 29 -3.880 -28.031 -25.991 1.00 4.20 C ATOM 440 O ASN A 29 -3.334 -27.211 -25.252 1.00 74.31 O ATOM 441 CB ASN A 29 -3.091 -30.367 -25.574 1.00 34.01 C ATOM 442 CG ASN A 29 -2.453 -30.354 -26.949 1.00 51.33 C ATOM 443 OD1 ASN A 29 -1.819 -29.374 -27.340 1.00 21.40 O ATOM 444 ND2 ASN A 29 -2.619 -31.443 -27.689 1.00 42.12 N ATOM 0 H ASN A 29 -5.170 -30.529 -27.003 1.00 71.13 H new ATOM 0 HA ASN A 29 -4.571 -29.312 -24.425 1.00 5.23 H new ATOM 0 HB2 ASN A 29 -2.344 -30.097 -24.828 1.00 34.01 H new ATOM 0 HB3 ASN A 29 -3.423 -31.379 -25.341 1.00 34.01 H new ATOM 0 HD21 ASN A 29 -2.213 -31.491 -28.623 1.00 42.12 H new ATOM 0 HD22 ASN A 29 -3.153 -32.232 -27.323 1.00 42.12 H new ATOM 451 N SER A 30 -4.157 -27.782 -27.267 1.00 22.33 N ATOM 452 CA SER A 30 -3.825 -26.506 -27.888 1.00 4.53 C ATOM 453 C SER A 30 -4.987 -25.525 -27.770 1.00 72.32 C ATOM 454 O SER A 30 -5.809 -25.407 -28.678 1.00 21.41 O ATOM 455 CB SER A 30 -3.461 -26.709 -29.360 1.00 43.04 C ATOM 456 OG SER A 30 -3.894 -27.976 -29.822 1.00 30.32 O ATOM 0 H SER A 30 -4.611 -28.449 -27.891 1.00 22.33 H new ATOM 0 HA SER A 30 -2.965 -26.089 -27.363 1.00 4.53 H new ATOM 0 HB2 SER A 30 -3.917 -25.923 -29.962 1.00 43.04 H new ATOM 0 HB3 SER A 30 -2.382 -26.622 -29.486 1.00 43.04 H new ATOM 0 HG SER A 30 -4.872 -28.020 -29.786 1.00 30.32 H new ATOM 462 N GLY A 31 -5.049 -24.823 -26.642 1.00 23.52 N ATOM 463 CA GLY A 31 -6.114 -23.862 -26.425 1.00 74.54 C ATOM 464 C GLY A 31 -7.383 -24.510 -25.908 1.00 74.02 C ATOM 465 O GLY A 31 -7.331 -25.424 -25.084 1.00 24.30 O ATOM 0 H GLY A 31 -4.381 -24.903 -25.875 1.00 23.52 H new ATOM 0 HA2 GLY A 31 -5.779 -23.108 -25.713 1.00 74.54 H new ATOM 0 HA3 GLY A 31 -6.329 -23.345 -27.360 1.00 74.54 H new ATOM 469 N ASP A 32 -8.527 -24.036 -26.390 1.00 62.42 N ATOM 470 CA ASP A 32 -9.816 -24.574 -25.972 1.00 11.25 C ATOM 471 C ASP A 32 -10.244 -25.725 -26.877 1.00 61.43 C ATOM 472 O ASP A 32 -10.898 -26.669 -26.433 1.00 53.05 O ATOM 473 CB ASP A 32 -10.880 -23.476 -25.984 1.00 55.21 C ATOM 474 CG ASP A 32 -11.176 -22.942 -24.595 1.00 60.32 C ATOM 475 OD1 ASP A 32 -10.292 -22.276 -24.015 1.00 34.31 O ATOM 476 OD2 ASP A 32 -12.291 -23.188 -24.091 1.00 33.53 O ATOM 0 H ASP A 32 -8.588 -23.279 -27.071 1.00 62.42 H new ATOM 0 HA ASP A 32 -9.710 -24.955 -24.956 1.00 11.25 H new ATOM 0 HB2 ASP A 32 -10.546 -22.657 -26.621 1.00 55.21 H new ATOM 0 HB3 ASP A 32 -11.798 -23.868 -26.423 1.00 55.21 H new ATOM 481 N CYS A 33 -9.871 -25.639 -28.150 1.00 33.22 N ATOM 482 CA CYS A 33 -10.218 -26.672 -29.119 1.00 1.22 C ATOM 483 C CYS A 33 -9.217 -26.693 -30.272 1.00 33.52 C ATOM 484 O CYS A 33 -8.630 -25.669 -30.617 1.00 61.43 O ATOM 485 CB CYS A 33 -11.631 -26.440 -29.659 1.00 43.30 C ATOM 486 SG CYS A 33 -11.840 -24.858 -30.536 1.00 64.32 S ATOM 0 H CYS A 33 -9.329 -24.865 -28.534 1.00 33.22 H new ATOM 0 HA CYS A 33 -10.184 -27.637 -28.613 1.00 1.22 H new ATOM 0 HB2 CYS A 33 -11.888 -27.255 -30.335 1.00 43.30 H new ATOM 0 HB3 CYS A 33 -12.337 -26.479 -28.829 1.00 43.30 H new ATOM 492 N GLY A 34 -9.029 -27.869 -30.863 1.00 65.04 N ATOM 493 CA GLY A 34 -8.100 -28.002 -31.970 1.00 22.01 C ATOM 494 C GLY A 34 -7.485 -29.386 -32.047 1.00 51.21 C ATOM 495 O GLY A 34 -8.184 -30.370 -32.281 1.00 24.34 O ATOM 0 H GLY A 34 -9.503 -28.731 -30.595 1.00 65.04 H new ATOM 0 HA2 GLY A 34 -8.619 -27.786 -32.904 1.00 22.01 H new ATOM 0 HA3 GLY A 34 -7.308 -27.261 -31.867 1.00 22.01 H new ATOM 499 N ASN A 35 -6.173 -29.460 -31.852 1.00 14.22 N ATOM 500 CA ASN A 35 -5.463 -30.733 -31.903 1.00 12.33 C ATOM 501 C ASN A 35 -5.336 -31.341 -30.509 1.00 3.32 C ATOM 502 O ASN A 35 -4.338 -31.138 -29.820 1.00 45.43 O ATOM 503 CB ASN A 35 -4.075 -30.542 -32.517 1.00 52.11 C ATOM 504 CG ASN A 35 -3.456 -31.853 -32.965 1.00 52.31 C ATOM 505 OD1 ASN A 35 -2.396 -32.249 -32.481 1.00 43.32 O ATOM 506 ND2 ASN A 35 -4.119 -32.532 -33.894 1.00 43.21 N ATOM 0 H ASN A 35 -5.580 -28.654 -31.657 1.00 14.22 H new ATOM 0 HA ASN A 35 -6.038 -31.417 -32.527 1.00 12.33 H new ATOM 0 HB2 ASN A 35 -4.148 -29.867 -33.370 1.00 52.11 H new ATOM 0 HB3 ASN A 35 -3.420 -30.065 -31.788 1.00 52.11 H new ATOM 0 HD21 ASN A 35 -3.753 -33.421 -34.235 1.00 43.21 H new ATOM 0 HD22 ASN A 35 -4.995 -32.165 -34.267 1.00 43.21 H new ATOM 513 N GLY A 36 -6.356 -32.090 -30.101 1.00 14.51 N ATOM 514 CA GLY A 36 -6.339 -32.716 -28.792 1.00 14.23 C ATOM 515 C GLY A 36 -5.524 -33.994 -28.772 1.00 1.40 C ATOM 516 O GLY A 36 -4.902 -34.357 -29.770 1.00 45.40 O ATOM 0 H GLY A 36 -7.193 -32.274 -30.653 1.00 14.51 H new ATOM 0 HA2 GLY A 36 -5.930 -32.016 -28.063 1.00 14.23 H new ATOM 0 HA3 GLY A 36 -7.361 -32.936 -28.484 1.00 14.23 H new ATOM 520 N ILE A 37 -5.525 -34.678 -27.632 1.00 41.33 N ATOM 521 CA ILE A 37 -4.779 -35.921 -27.486 1.00 42.02 C ATOM 522 C ILE A 37 -5.585 -36.958 -26.711 1.00 3.12 C ATOM 523 O ILE A 37 -6.367 -36.615 -25.824 1.00 21.34 O ATOM 524 CB ILE A 37 -3.435 -35.691 -26.769 1.00 1.11 C ATOM 525 CG1 ILE A 37 -2.456 -36.820 -27.100 1.00 73.43 C ATOM 526 CG2 ILE A 37 -3.648 -35.590 -25.266 1.00 12.12 C ATOM 527 CD1 ILE A 37 -1.582 -36.529 -28.300 1.00 13.25 C ATOM 0 H ILE A 37 -6.035 -34.391 -26.796 1.00 41.33 H new ATOM 0 HA ILE A 37 -4.585 -36.292 -28.492 1.00 42.02 H new ATOM 0 HB ILE A 37 -3.008 -34.751 -27.120 1.00 1.11 H new ATOM 0 HG12 ILE A 37 -1.820 -37.005 -26.234 1.00 73.43 H new ATOM 0 HG13 ILE A 37 -3.018 -37.736 -27.284 1.00 73.43 H new ATOM 0 HG21 ILE A 37 -2.690 -35.428 -24.773 1.00 12.12 H new ATOM 0 HG22 ILE A 37 -4.314 -34.755 -25.048 1.00 12.12 H new ATOM 0 HG23 ILE A 37 -4.093 -36.515 -24.899 1.00 12.12 H new ATOM 0 HD11 ILE A 37 -0.913 -37.372 -28.476 1.00 13.25 H new ATOM 0 HD12 ILE A 37 -2.209 -36.374 -29.178 1.00 13.25 H new ATOM 0 HD13 ILE A 37 -0.993 -35.632 -28.112 1.00 13.25 H new ATOM 539 N ARG A 38 -5.387 -38.228 -27.051 1.00 63.11 N ATOM 540 CA ARG A 38 -6.095 -39.315 -26.387 1.00 63.41 C ATOM 541 C ARG A 38 -5.122 -40.397 -25.928 1.00 72.23 C ATOM 542 O ARG A 38 -4.322 -40.900 -26.716 1.00 12.22 O ATOM 543 CB ARG A 38 -7.141 -39.919 -27.326 1.00 31.24 C ATOM 544 CG ARG A 38 -6.542 -40.608 -28.541 1.00 31.31 C ATOM 545 CD ARG A 38 -7.604 -40.913 -29.587 1.00 4.15 C ATOM 546 NE ARG A 38 -7.347 -40.217 -30.846 1.00 73.13 N ATOM 547 CZ ARG A 38 -7.901 -40.562 -32.003 1.00 31.02 C ATOM 548 NH1 ARG A 38 -8.737 -41.590 -32.060 1.00 61.04 N ATOM 549 NH2 ARG A 38 -7.619 -39.880 -33.105 1.00 55.43 N ATOM 0 H ARG A 38 -4.742 -38.529 -27.782 1.00 63.11 H new ATOM 0 HA ARG A 38 -6.597 -38.906 -25.510 1.00 63.41 H new ATOM 0 HB2 ARG A 38 -7.743 -40.638 -26.771 1.00 31.24 H new ATOM 0 HB3 ARG A 38 -7.815 -39.130 -27.661 1.00 31.24 H new ATOM 0 HG2 ARG A 38 -5.771 -39.973 -28.978 1.00 31.31 H new ATOM 0 HG3 ARG A 38 -6.056 -41.534 -28.233 1.00 31.31 H new ATOM 0 HD2 ARG A 38 -7.638 -41.988 -29.767 1.00 4.15 H new ATOM 0 HD3 ARG A 38 -8.583 -40.623 -29.205 1.00 4.15 H new ATOM 0 HE ARG A 38 -6.707 -39.423 -30.836 1.00 73.13 H new ATOM 0 HH11 ARG A 38 -8.956 -42.117 -31.215 1.00 61.04 H new ATOM 0 HH12 ARG A 38 -9.161 -41.853 -32.949 1.00 61.04 H new ATOM 0 HH21 ARG A 38 -6.976 -39.089 -33.065 1.00 55.43 H new ATOM 0 HH22 ARG A 38 -8.045 -40.146 -33.993 1.00 55.43 H new ATOM 563 N GLU A 39 -5.197 -40.749 -24.648 1.00 60.52 N ATOM 564 CA GLU A 39 -4.322 -41.770 -24.085 1.00 63.41 C ATOM 565 C GLU A 39 -4.907 -43.164 -24.294 1.00 21.12 C ATOM 566 O GLU A 39 -6.099 -43.386 -24.084 1.00 25.33 O ATOM 567 CB GLU A 39 -4.100 -41.517 -22.593 1.00 75.21 C ATOM 568 CG GLU A 39 -3.033 -40.475 -22.303 1.00 22.33 C ATOM 569 CD GLU A 39 -3.541 -39.346 -21.429 1.00 63.22 C ATOM 570 OE1 GLU A 39 -3.775 -39.585 -20.226 1.00 60.30 O ATOM 571 OE2 GLU A 39 -3.705 -38.222 -21.948 1.00 60.13 O ATOM 0 H GLU A 39 -5.854 -40.342 -23.982 1.00 60.52 H new ATOM 0 HA GLU A 39 -3.364 -41.716 -24.602 1.00 63.41 H new ATOM 0 HB2 GLU A 39 -5.040 -41.196 -22.144 1.00 75.21 H new ATOM 0 HB3 GLU A 39 -3.820 -42.454 -22.112 1.00 75.21 H new ATOM 0 HG2 GLU A 39 -2.186 -40.955 -21.813 1.00 22.33 H new ATOM 0 HG3 GLU A 39 -2.667 -40.064 -23.244 1.00 22.33 H new ATOM 578 N ALA A 40 -4.059 -44.100 -24.710 1.00 43.53 N ATOM 579 CA ALA A 40 -4.490 -45.471 -24.947 1.00 63.12 C ATOM 580 C ALA A 40 -3.498 -46.468 -24.356 1.00 25.13 C ATOM 581 O ALA A 40 -2.290 -46.229 -24.350 1.00 50.32 O ATOM 582 CB ALA A 40 -4.666 -45.719 -26.437 1.00 22.35 C ATOM 0 H ALA A 40 -3.069 -43.932 -24.890 1.00 43.53 H new ATOM 0 HA ALA A 40 -5.450 -45.615 -24.450 1.00 63.12 H new ATOM 0 HB1 ALA A 40 -4.988 -46.748 -26.599 1.00 22.35 H new ATOM 0 HB2 ALA A 40 -5.418 -45.036 -26.833 1.00 22.35 H new ATOM 0 HB3 ALA A 40 -3.718 -45.551 -26.948 1.00 22.35 H new ATOM 588 N THR A 41 -4.015 -47.588 -23.861 1.00 74.15 N ATOM 589 CA THR A 41 -3.175 -48.620 -23.265 1.00 65.53 C ATOM 590 C THR A 41 -3.520 -49.996 -23.823 1.00 22.05 C ATOM 591 O THR A 41 -4.636 -50.486 -23.653 1.00 53.23 O ATOM 592 CB THR A 41 -3.321 -48.648 -21.733 1.00 42.31 C ATOM 593 OG1 THR A 41 -4.257 -47.650 -21.311 1.00 12.42 O ATOM 594 CG2 THR A 41 -1.978 -48.409 -21.057 1.00 64.13 C ATOM 0 H THR A 41 -5.012 -47.804 -23.861 1.00 74.15 H new ATOM 0 HA THR A 41 -2.144 -48.375 -23.518 1.00 65.53 H new ATOM 0 HB THR A 41 -3.686 -49.633 -21.443 1.00 42.31 H new ATOM 0 HG1 THR A 41 -4.345 -47.676 -20.335 1.00 12.42 H new ATOM 0 HG21 THR A 41 -2.106 -48.433 -19.975 1.00 64.13 H new ATOM 0 HG22 THR A 41 -1.276 -49.187 -21.357 1.00 64.13 H new ATOM 0 HG23 THR A 41 -1.589 -47.435 -21.355 1.00 64.13 H new ATOM 602 N CYS A 42 -2.552 -50.618 -24.490 1.00 14.11 N ATOM 603 CA CYS A 42 -2.752 -51.939 -25.073 1.00 12.32 C ATOM 604 C CYS A 42 -1.461 -52.752 -25.031 1.00 31.44 C ATOM 605 O CYS A 42 -0.364 -52.198 -25.083 1.00 75.43 O ATOM 606 CB CYS A 42 -3.244 -51.815 -26.516 1.00 44.33 C ATOM 607 SG CYS A 42 -4.618 -52.933 -26.933 1.00 34.53 S ATOM 0 H CYS A 42 -1.622 -50.228 -24.640 1.00 14.11 H new ATOM 0 HA CYS A 42 -3.508 -52.458 -24.484 1.00 12.32 H new ATOM 0 HB2 CYS A 42 -3.560 -50.787 -26.693 1.00 44.33 H new ATOM 0 HB3 CYS A 42 -2.411 -52.013 -27.191 1.00 44.33 H new ATOM 613 N ASN A 43 -1.602 -54.071 -24.939 1.00 41.54 N ATOM 614 CA ASN A 43 -0.448 -54.961 -24.890 1.00 5.43 C ATOM 615 C ASN A 43 0.274 -54.844 -23.551 1.00 43.22 C ATOM 616 O ASN A 43 0.226 -55.756 -22.727 1.00 3.55 O ATOM 617 CB ASN A 43 0.518 -54.640 -26.033 1.00 11.01 C ATOM 618 CG ASN A 43 0.725 -55.820 -26.964 1.00 72.25 C ATOM 619 OD1 ASN A 43 0.859 -56.960 -26.518 1.00 72.21 O ATOM 620 ND2 ASN A 43 0.752 -55.550 -28.264 1.00 35.34 N ATOM 0 H ASN A 43 -2.503 -54.546 -24.897 1.00 41.54 H new ATOM 0 HA ASN A 43 -0.805 -55.985 -25.001 1.00 5.43 H new ATOM 0 HB2 ASN A 43 0.134 -53.794 -26.603 1.00 11.01 H new ATOM 0 HB3 ASN A 43 1.479 -54.335 -25.618 1.00 11.01 H new ATOM 0 HD21 ASN A 43 0.888 -56.303 -28.939 1.00 35.34 H new ATOM 0 HD22 ASN A 43 0.637 -54.590 -28.588 1.00 35.34 H new ATOM 627 N GLU A 44 0.943 -53.713 -23.342 1.00 62.53 N ATOM 628 CA GLU A 44 1.675 -53.477 -22.104 1.00 75.11 C ATOM 629 C GLU A 44 2.417 -52.144 -22.156 1.00 33.43 C ATOM 630 O GLU A 44 3.517 -52.014 -21.619 1.00 72.42 O ATOM 631 CB GLU A 44 2.664 -54.614 -21.846 1.00 2.14 C ATOM 632 CG GLU A 44 2.575 -55.193 -20.444 1.00 72.21 C ATOM 633 CD GLU A 44 3.322 -54.362 -19.420 1.00 42.12 C ATOM 634 OE1 GLU A 44 2.884 -53.225 -19.146 1.00 51.43 O ATOM 635 OE2 GLU A 44 4.345 -54.847 -18.894 1.00 15.45 O ATOM 0 H GLU A 44 0.992 -52.947 -24.014 1.00 62.53 H new ATOM 0 HA GLU A 44 0.954 -53.440 -21.287 1.00 75.11 H new ATOM 0 HB2 GLU A 44 2.487 -55.409 -22.570 1.00 2.14 H new ATOM 0 HB3 GLU A 44 3.677 -54.248 -22.015 1.00 2.14 H new ATOM 0 HG2 GLU A 44 1.528 -55.267 -20.152 1.00 72.21 H new ATOM 0 HG3 GLU A 44 2.977 -56.206 -20.447 1.00 72.21 H new ATOM 642 N GLN A 45 1.808 -51.160 -22.808 1.00 61.25 N ATOM 643 CA GLN A 45 2.411 -49.837 -22.932 1.00 32.45 C ATOM 644 C GLN A 45 1.338 -48.758 -23.036 1.00 2.54 C ATOM 645 O GLN A 45 0.221 -49.017 -23.483 1.00 32.21 O ATOM 646 CB GLN A 45 3.325 -49.784 -24.156 1.00 25.32 C ATOM 647 CG GLN A 45 2.669 -50.292 -25.430 1.00 54.24 C ATOM 648 CD GLN A 45 3.353 -51.523 -25.990 1.00 14.34 C ATOM 649 OE1 GLN A 45 4.562 -51.699 -25.834 1.00 4.04 O ATOM 650 NE2 GLN A 45 2.583 -52.383 -26.645 1.00 15.42 N ATOM 0 H GLN A 45 0.898 -51.253 -23.259 1.00 61.25 H new ATOM 0 HA GLN A 45 3.003 -49.649 -22.037 1.00 32.45 H new ATOM 0 HB2 GLN A 45 3.651 -48.756 -24.311 1.00 25.32 H new ATOM 0 HB3 GLN A 45 4.219 -50.375 -23.957 1.00 25.32 H new ATOM 0 HG2 GLN A 45 1.623 -50.523 -25.228 1.00 54.24 H new ATOM 0 HG3 GLN A 45 2.682 -49.501 -26.180 1.00 54.24 H new ATOM 0 HE21 GLN A 45 1.586 -52.197 -26.750 1.00 15.42 H new ATOM 0 HE22 GLN A 45 2.989 -53.230 -27.043 1.00 15.42 H new ATOM 659 N THR A 46 1.686 -47.543 -22.620 1.00 14.14 N ATOM 660 CA THR A 46 0.753 -46.424 -22.664 1.00 3.43 C ATOM 661 C THR A 46 1.267 -45.318 -23.578 1.00 50.44 C ATOM 662 O THR A 46 2.386 -44.832 -23.414 1.00 11.52 O ATOM 663 CB THR A 46 0.508 -45.843 -21.259 1.00 41.33 C ATOM 664 OG1 THR A 46 0.645 -46.870 -20.271 1.00 61.32 O ATOM 665 CG2 THR A 46 -0.879 -45.224 -21.165 1.00 61.33 C ATOM 0 H THR A 46 2.607 -47.310 -22.249 1.00 14.14 H new ATOM 0 HA THR A 46 -0.187 -46.809 -23.058 1.00 3.43 H new ATOM 0 HB THR A 46 1.250 -45.066 -21.078 1.00 41.33 H new ATOM 0 HG1 THR A 46 0.489 -46.491 -19.381 1.00 61.32 H new ATOM 0 HG21 THR A 46 -1.030 -44.820 -20.164 1.00 61.33 H new ATOM 0 HG22 THR A 46 -0.970 -44.422 -21.898 1.00 61.33 H new ATOM 0 HG23 THR A 46 -1.632 -45.986 -21.366 1.00 61.33 H new ATOM 673 N LYS A 47 0.442 -44.922 -24.540 1.00 64.24 N ATOM 674 CA LYS A 47 0.811 -43.869 -25.480 1.00 23.43 C ATOM 675 C LYS A 47 -0.385 -42.976 -25.793 1.00 25.22 C ATOM 676 O LYS A 47 -1.530 -43.427 -25.783 1.00 54.22 O ATOM 677 CB LYS A 47 1.356 -44.480 -26.772 1.00 5.34 C ATOM 678 CG LYS A 47 0.559 -45.676 -27.264 1.00 3.43 C ATOM 679 CD LYS A 47 0.772 -45.915 -28.750 1.00 50.52 C ATOM 680 CE LYS A 47 0.016 -44.897 -29.591 1.00 1.35 C ATOM 681 NZ LYS A 47 -0.765 -45.547 -30.680 1.00 13.33 N ATOM 0 H LYS A 47 -0.488 -45.314 -24.690 1.00 64.24 H new ATOM 0 HA LYS A 47 1.587 -43.259 -25.018 1.00 23.43 H new ATOM 0 HB2 LYS A 47 1.365 -43.716 -27.549 1.00 5.34 H new ATOM 0 HB3 LYS A 47 2.390 -44.785 -26.612 1.00 5.34 H new ATOM 0 HG2 LYS A 47 0.853 -46.565 -26.706 1.00 3.43 H new ATOM 0 HG3 LYS A 47 -0.501 -45.513 -27.069 1.00 3.43 H new ATOM 0 HD2 LYS A 47 1.836 -45.860 -28.980 1.00 50.52 H new ATOM 0 HD3 LYS A 47 0.441 -46.921 -29.009 1.00 50.52 H new ATOM 0 HE2 LYS A 47 -0.658 -44.327 -28.952 1.00 1.35 H new ATOM 0 HE3 LYS A 47 0.722 -44.188 -30.024 1.00 1.35 H new ATOM 0 HZ1 LYS A 47 -1.265 -44.820 -31.230 1.00 13.33 H new ATOM 0 HZ2 LYS A 47 -0.120 -46.071 -31.305 1.00 13.33 H new ATOM 0 HZ3 LYS A 47 -1.456 -46.205 -30.266 1.00 13.33 H new ATOM 695 N LYS A 48 -0.111 -41.706 -26.074 1.00 70.44 N ATOM 696 CA LYS A 48 -1.164 -40.749 -26.393 1.00 31.41 C ATOM 697 C LYS A 48 -1.128 -40.373 -27.871 1.00 43.10 C ATOM 698 O LYS A 48 -0.067 -40.073 -28.420 1.00 23.22 O ATOM 699 CB LYS A 48 -1.017 -39.492 -25.533 1.00 34.14 C ATOM 700 CG LYS A 48 0.182 -38.637 -25.905 1.00 75.21 C ATOM 701 CD LYS A 48 0.701 -37.856 -24.709 1.00 3.30 C ATOM 702 CE LYS A 48 0.250 -36.404 -24.754 1.00 52.32 C ATOM 703 NZ LYS A 48 -0.888 -36.149 -23.828 1.00 64.34 N ATOM 0 H LYS A 48 0.831 -41.316 -26.087 1.00 70.44 H new ATOM 0 HA LYS A 48 -2.124 -41.219 -26.179 1.00 31.41 H new ATOM 0 HB2 LYS A 48 -1.923 -38.892 -25.624 1.00 34.14 H new ATOM 0 HB3 LYS A 48 -0.933 -39.786 -24.487 1.00 34.14 H new ATOM 0 HG2 LYS A 48 0.976 -39.272 -26.298 1.00 75.21 H new ATOM 0 HG3 LYS A 48 -0.096 -37.945 -26.700 1.00 75.21 H new ATOM 0 HD2 LYS A 48 0.347 -38.320 -23.788 1.00 3.30 H new ATOM 0 HD3 LYS A 48 1.790 -37.900 -24.689 1.00 3.30 H new ATOM 0 HE2 LYS A 48 1.086 -35.756 -24.490 1.00 52.32 H new ATOM 0 HE3 LYS A 48 -0.045 -36.146 -25.771 1.00 52.32 H new ATOM 0 HZ1 LYS A 48 -1.200 -35.161 -23.925 1.00 64.34 H new ATOM 0 HZ2 LYS A 48 -1.676 -36.785 -24.063 1.00 64.34 H new ATOM 0 HZ3 LYS A 48 -0.584 -36.322 -22.849 1.00 64.34 H new ATOM 717 N THR A 49 -2.293 -40.390 -28.511 1.00 52.23 N ATOM 718 CA THR A 49 -2.393 -40.050 -29.925 1.00 54.02 C ATOM 719 C THR A 49 -3.130 -38.730 -30.123 1.00 35.13 C ATOM 720 O THR A 49 -4.137 -38.465 -29.466 1.00 74.43 O ATOM 721 CB THR A 49 -3.120 -41.154 -30.717 1.00 0.02 C ATOM 722 OG1 THR A 49 -4.538 -40.991 -30.598 1.00 1.34 O ATOM 723 CG2 THR A 49 -2.719 -42.533 -30.216 1.00 13.42 C ATOM 0 H THR A 49 -3.181 -40.636 -28.072 1.00 52.23 H new ATOM 0 HA THR A 49 -1.374 -39.954 -30.300 1.00 54.02 H new ATOM 0 HB THR A 49 -2.832 -41.068 -31.765 1.00 0.02 H new ATOM 0 HG1 THR A 49 -4.992 -41.696 -31.106 1.00 1.34 H new ATOM 0 HG21 THR A 49 -3.245 -43.296 -30.790 1.00 13.42 H new ATOM 0 HG22 THR A 49 -1.644 -42.665 -30.336 1.00 13.42 H new ATOM 0 HG23 THR A 49 -2.981 -42.627 -29.162 1.00 13.42 H new ATOM 731 N LYS A 50 -2.623 -37.905 -31.032 1.00 13.13 N ATOM 732 CA LYS A 50 -3.233 -36.612 -31.318 1.00 61.11 C ATOM 733 C LYS A 50 -4.486 -36.780 -32.173 1.00 15.41 C ATOM 734 O LYS A 50 -4.569 -37.690 -32.998 1.00 62.54 O ATOM 735 CB LYS A 50 -2.234 -35.700 -32.032 1.00 23.21 C ATOM 736 CG LYS A 50 -0.912 -35.553 -31.297 1.00 62.52 C ATOM 737 CD LYS A 50 0.144 -34.904 -32.176 1.00 43.24 C ATOM 738 CE LYS A 50 1.180 -35.915 -32.642 1.00 74.10 C ATOM 739 NZ LYS A 50 2.461 -35.781 -31.895 1.00 3.23 N ATOM 0 H LYS A 50 -1.790 -38.109 -31.584 1.00 13.13 H new ATOM 0 HA LYS A 50 -3.519 -36.155 -30.371 1.00 61.11 H new ATOM 0 HB2 LYS A 50 -2.043 -36.095 -33.030 1.00 23.21 H new ATOM 0 HB3 LYS A 50 -2.681 -34.714 -32.159 1.00 23.21 H new ATOM 0 HG2 LYS A 50 -1.058 -34.953 -30.399 1.00 62.52 H new ATOM 0 HG3 LYS A 50 -0.564 -36.534 -30.972 1.00 62.52 H new ATOM 0 HD2 LYS A 50 -0.334 -34.446 -33.042 1.00 43.24 H new ATOM 0 HD3 LYS A 50 0.637 -34.104 -31.624 1.00 43.24 H new ATOM 0 HE2 LYS A 50 0.787 -36.923 -32.512 1.00 74.10 H new ATOM 0 HE3 LYS A 50 1.365 -35.780 -33.708 1.00 74.10 H new ATOM 0 HZ1 LYS A 50 3.141 -36.487 -32.242 1.00 3.23 H new ATOM 0 HZ2 LYS A 50 2.849 -34.827 -32.040 1.00 3.23 H new ATOM 0 HZ3 LYS A 50 2.289 -35.935 -30.881 1.00 3.23 H new ATOM 753 N CYS A 51 -5.457 -35.895 -31.971 1.00 54.21 N ATOM 754 CA CYS A 51 -6.705 -35.944 -32.723 1.00 3.31 C ATOM 755 C CYS A 51 -7.268 -34.542 -32.933 1.00 42.22 C ATOM 756 O CYS A 51 -6.773 -33.569 -32.362 1.00 54.00 O ATOM 757 CB CYS A 51 -7.730 -36.814 -31.994 1.00 73.32 C ATOM 758 SG CYS A 51 -8.426 -36.045 -30.497 1.00 33.43 S ATOM 0 H CYS A 51 -5.403 -35.135 -31.293 1.00 54.21 H new ATOM 0 HA CYS A 51 -6.496 -36.382 -33.699 1.00 3.31 H new ATOM 0 HB2 CYS A 51 -8.543 -37.051 -32.680 1.00 73.32 H new ATOM 0 HB3 CYS A 51 -7.260 -37.758 -31.720 1.00 73.32 H new ATOM 764 N LYS A 52 -8.307 -34.444 -33.756 1.00 41.13 N ATOM 765 CA LYS A 52 -8.940 -33.162 -34.041 1.00 20.15 C ATOM 766 C LYS A 52 -10.395 -33.161 -33.583 1.00 45.32 C ATOM 767 O LYS A 52 -11.173 -34.042 -33.949 1.00 14.31 O ATOM 768 CB LYS A 52 -8.865 -32.855 -35.538 1.00 41.24 C ATOM 769 CG LYS A 52 -8.610 -31.390 -35.846 1.00 5.21 C ATOM 770 CD LYS A 52 -9.876 -30.561 -35.702 1.00 2.33 C ATOM 771 CE LYS A 52 -10.895 -30.907 -36.776 1.00 13.35 C ATOM 772 NZ LYS A 52 -11.772 -29.749 -37.103 1.00 25.11 N ATOM 0 H LYS A 52 -8.729 -35.238 -34.238 1.00 41.13 H new ATOM 0 HA LYS A 52 -8.403 -32.389 -33.491 1.00 20.15 H new ATOM 0 HB2 LYS A 52 -8.072 -33.455 -35.984 1.00 41.24 H new ATOM 0 HB3 LYS A 52 -9.799 -33.160 -36.010 1.00 41.24 H new ATOM 0 HG2 LYS A 52 -7.843 -31.004 -35.174 1.00 5.21 H new ATOM 0 HG3 LYS A 52 -8.224 -31.292 -36.861 1.00 5.21 H new ATOM 0 HD2 LYS A 52 -10.312 -30.730 -34.717 1.00 2.33 H new ATOM 0 HD3 LYS A 52 -9.627 -29.502 -35.763 1.00 2.33 H new ATOM 0 HE2 LYS A 52 -10.376 -31.235 -37.677 1.00 13.35 H new ATOM 0 HE3 LYS A 52 -11.508 -31.743 -36.439 1.00 13.35 H new ATOM 0 HZ1 LYS A 52 -12.453 -30.026 -37.839 1.00 25.11 H new ATOM 0 HZ2 LYS A 52 -12.287 -29.452 -36.250 1.00 25.11 H new ATOM 0 HZ3 LYS A 52 -11.190 -28.960 -37.449 1.00 25.11 H new ATOM 786 N VAL A 53 -10.757 -32.163 -32.782 1.00 30.41 N ATOM 787 CA VAL A 53 -12.120 -32.046 -32.276 1.00 42.03 C ATOM 788 C VAL A 53 -12.970 -31.169 -33.188 1.00 61.45 C ATOM 789 O VAL A 53 -12.472 -30.273 -33.872 1.00 21.54 O ATOM 790 CB VAL A 53 -12.141 -31.460 -30.852 1.00 72.22 C ATOM 791 CG1 VAL A 53 -11.303 -32.312 -29.911 1.00 43.43 C ATOM 792 CG2 VAL A 53 -11.650 -30.020 -30.862 1.00 15.21 C ATOM 0 H VAL A 53 -10.126 -31.425 -32.470 1.00 30.41 H new ATOM 0 HA VAL A 53 -12.537 -33.053 -32.252 1.00 42.03 H new ATOM 0 HB VAL A 53 -13.169 -31.467 -30.490 1.00 72.22 H new ATOM 0 HG11 VAL A 53 -11.330 -31.882 -28.910 1.00 43.43 H new ATOM 0 HG12 VAL A 53 -11.705 -33.325 -29.882 1.00 43.43 H new ATOM 0 HG13 VAL A 53 -10.273 -32.340 -30.266 1.00 43.43 H new ATOM 0 HG21 VAL A 53 -11.671 -29.621 -29.848 1.00 15.21 H new ATOM 0 HG22 VAL A 53 -10.630 -29.986 -31.244 1.00 15.21 H new ATOM 0 HG23 VAL A 53 -12.297 -29.419 -31.502 1.00 15.21 H new ATOM 802 N PRO A 54 -14.287 -31.428 -33.200 1.00 0.31 N ATOM 803 CA PRO A 54 -15.235 -30.672 -34.022 1.00 23.02 C ATOM 804 C PRO A 54 -15.422 -29.242 -33.526 1.00 44.03 C ATOM 805 O PRO A 54 -16.416 -28.926 -32.872 1.00 60.21 O ATOM 806 CB PRO A 54 -16.538 -31.462 -33.878 1.00 65.11 C ATOM 807 CG PRO A 54 -16.411 -32.166 -32.571 1.00 21.45 C ATOM 808 CD PRO A 54 -14.950 -32.479 -32.409 1.00 25.43 C ATOM 0 HA PRO A 54 -14.892 -30.573 -35.052 1.00 23.02 H new ATOM 0 HB2 PRO A 54 -17.405 -30.801 -33.889 1.00 65.11 H new ATOM 0 HB3 PRO A 54 -16.665 -32.169 -34.698 1.00 65.11 H new ATOM 0 HG2 PRO A 54 -16.769 -31.539 -31.754 1.00 21.45 H new ATOM 0 HG3 PRO A 54 -17.009 -33.077 -32.559 1.00 21.45 H new ATOM 0 HD2 PRO A 54 -14.646 -32.447 -31.363 1.00 25.43 H new ATOM 0 HD3 PRO A 54 -14.709 -33.475 -32.781 1.00 25.43 H new ATOM 816 N CYS A 55 -14.460 -28.381 -33.841 1.00 12.05 N ATOM 817 CA CYS A 55 -14.518 -26.984 -33.428 1.00 53.11 C ATOM 818 C CYS A 55 -14.801 -26.075 -34.620 1.00 71.55 C ATOM 819 O CYS A 55 -14.461 -26.400 -35.756 1.00 3.32 O ATOM 820 CB CYS A 55 -13.204 -26.573 -32.760 1.00 30.10 C ATOM 821 SG CYS A 55 -13.289 -24.991 -31.861 1.00 31.53 S ATOM 0 H CYS A 55 -13.630 -28.627 -34.381 1.00 12.05 H new ATOM 0 HA CYS A 55 -15.332 -26.877 -32.711 1.00 53.11 H new ATOM 0 HB2 CYS A 55 -12.901 -27.357 -32.066 1.00 30.10 H new ATOM 0 HB3 CYS A 55 -12.428 -26.504 -33.522 1.00 30.10 H new ATOM 827 N ASN A 56 -15.430 -24.935 -34.351 1.00 3.41 N ATOM 828 CA ASN A 56 -15.759 -23.978 -35.402 1.00 34.24 C ATOM 829 C ASN A 56 -14.798 -22.793 -35.380 1.00 75.23 C ATOM 830 O ASN A 56 -15.008 -21.825 -34.650 1.00 43.12 O ATOM 831 CB ASN A 56 -17.199 -23.485 -35.237 1.00 2.34 C ATOM 832 CG ASN A 56 -17.524 -23.119 -33.802 1.00 33.12 C ATOM 833 OD1 ASN A 56 -17.379 -21.966 -33.395 1.00 21.04 O ATOM 834 ND2 ASN A 56 -17.966 -24.102 -33.026 1.00 34.05 N ATOM 0 H ASN A 56 -15.722 -24.652 -33.416 1.00 3.41 H new ATOM 0 HA ASN A 56 -15.662 -24.483 -36.363 1.00 34.24 H new ATOM 0 HB2 ASN A 56 -17.358 -22.616 -35.876 1.00 2.34 H new ATOM 0 HB3 ASN A 56 -17.887 -24.260 -35.576 1.00 2.34 H new ATOM 0 HD21 ASN A 56 -18.200 -23.916 -32.051 1.00 34.05 H new ATOM 0 HD22 ASN A 56 -18.071 -25.043 -33.405 1.00 34.05 H new ATOM 841 N TRP A 57 -13.746 -22.878 -36.185 1.00 63.53 N ATOM 842 CA TRP A 57 -12.753 -21.812 -36.260 1.00 14.11 C ATOM 843 C TRP A 57 -13.385 -20.512 -36.745 1.00 20.42 C ATOM 844 O TRP A 57 -14.485 -20.513 -37.300 1.00 24.01 O ATOM 845 CB TRP A 57 -11.609 -22.216 -37.191 1.00 34.44 C ATOM 846 CG TRP A 57 -10.498 -22.937 -36.489 1.00 75.43 C ATOM 847 CD1 TRP A 57 -9.805 -22.506 -35.395 1.00 54.13 C ATOM 848 CD2 TRP A 57 -9.952 -24.213 -36.837 1.00 15.35 C ATOM 849 NE1 TRP A 57 -8.861 -23.438 -35.039 1.00 24.23 N ATOM 850 CE2 TRP A 57 -8.931 -24.496 -35.908 1.00 12.20 C ATOM 851 CE3 TRP A 57 -10.226 -25.147 -37.839 1.00 63.10 C ATOM 852 CZ2 TRP A 57 -8.185 -25.671 -35.955 1.00 12.00 C ATOM 853 CZ3 TRP A 57 -9.485 -26.313 -37.885 1.00 71.12 C ATOM 854 CH2 TRP A 57 -8.475 -26.567 -36.948 1.00 55.14 C ATOM 0 H TRP A 57 -13.558 -23.673 -36.795 1.00 63.53 H new ATOM 0 HA TRP A 57 -12.356 -21.649 -35.258 1.00 14.11 H new ATOM 0 HB2 TRP A 57 -12.002 -22.853 -37.983 1.00 34.44 H new ATOM 0 HB3 TRP A 57 -11.207 -21.323 -37.670 1.00 34.44 H new ATOM 0 HD1 TRP A 57 -9.974 -21.570 -34.884 1.00 54.13 H new ATOM 0 HE1 TRP A 57 -8.213 -23.356 -34.255 1.00 24.23 H new ATOM 0 HE3 TRP A 57 -11.003 -24.961 -38.565 1.00 63.10 H new ATOM 0 HZ2 TRP A 57 -7.406 -25.868 -35.234 1.00 12.00 H new ATOM 0 HZ3 TRP A 57 -9.688 -27.041 -38.657 1.00 71.12 H new ATOM 0 HH2 TRP A 57 -7.914 -27.488 -37.010 1.00 55.14 H new ATOM 865 N LYS A 58 -12.685 -19.403 -36.533 1.00 11.12 N ATOM 866 CA LYS A 58 -13.176 -18.096 -36.951 1.00 52.33 C ATOM 867 C LYS A 58 -12.099 -17.029 -36.776 1.00 71.41 C ATOM 868 O LYS A 58 -11.053 -17.280 -36.178 1.00 55.23 O ATOM 869 CB LYS A 58 -14.420 -17.715 -36.145 1.00 60.33 C ATOM 870 CG LYS A 58 -15.556 -17.178 -36.999 1.00 31.01 C ATOM 871 CD LYS A 58 -16.479 -16.274 -36.196 1.00 3.04 C ATOM 872 CE LYS A 58 -17.846 -16.909 -35.998 1.00 34.44 C ATOM 873 NZ LYS A 58 -18.852 -15.921 -35.520 1.00 50.00 N ATOM 0 H LYS A 58 -11.775 -19.384 -36.073 1.00 11.12 H new ATOM 0 HA LYS A 58 -13.438 -18.154 -38.008 1.00 52.33 H new ATOM 0 HB2 LYS A 58 -14.770 -18.590 -35.598 1.00 60.33 H new ATOM 0 HB3 LYS A 58 -14.147 -16.964 -35.404 1.00 60.33 H new ATOM 0 HG2 LYS A 58 -15.147 -16.624 -37.844 1.00 31.01 H new ATOM 0 HG3 LYS A 58 -16.128 -18.010 -37.411 1.00 31.01 H new ATOM 0 HD2 LYS A 58 -16.030 -16.064 -35.225 1.00 3.04 H new ATOM 0 HD3 LYS A 58 -16.591 -15.319 -36.709 1.00 3.04 H new ATOM 0 HE2 LYS A 58 -18.184 -17.345 -36.938 1.00 34.44 H new ATOM 0 HE3 LYS A 58 -17.767 -17.724 -35.279 1.00 34.44 H new ATOM 0 HZ1 LYS A 58 -19.771 -16.393 -35.397 1.00 50.00 H new ATOM 0 HZ2 LYS A 58 -18.543 -15.523 -34.610 1.00 50.00 H new ATOM 0 HZ3 LYS A 58 -18.946 -15.156 -36.218 1.00 50.00 H new ATOM 887 N LYS A 59 -12.363 -15.838 -37.301 1.00 63.53 N ATOM 888 CA LYS A 59 -11.419 -14.730 -37.203 1.00 24.44 C ATOM 889 C LYS A 59 -11.188 -14.341 -35.747 1.00 73.24 C ATOM 890 O LYS A 59 -12.078 -13.798 -35.092 1.00 74.31 O ATOM 891 CB LYS A 59 -11.932 -13.523 -37.991 1.00 4.31 C ATOM 892 CG LYS A 59 -10.826 -12.674 -38.593 1.00 12.55 C ATOM 893 CD LYS A 59 -11.145 -11.192 -38.497 1.00 34.34 C ATOM 894 CE LYS A 59 -11.723 -10.661 -39.799 1.00 24.20 C ATOM 895 NZ LYS A 59 -11.949 -9.191 -39.747 1.00 70.14 N ATOM 0 H LYS A 59 -13.224 -15.614 -37.800 1.00 63.53 H new ATOM 0 HA LYS A 59 -10.470 -15.055 -37.629 1.00 24.44 H new ATOM 0 HB2 LYS A 59 -12.586 -13.873 -38.790 1.00 4.31 H new ATOM 0 HB3 LYS A 59 -12.538 -12.901 -37.332 1.00 4.31 H new ATOM 0 HG2 LYS A 59 -9.888 -12.879 -38.078 1.00 12.55 H new ATOM 0 HG3 LYS A 59 -10.683 -12.949 -39.638 1.00 12.55 H new ATOM 0 HD2 LYS A 59 -11.855 -11.023 -37.687 1.00 34.34 H new ATOM 0 HD3 LYS A 59 -10.239 -10.639 -38.248 1.00 34.34 H new ATOM 0 HE2 LYS A 59 -11.045 -10.895 -40.620 1.00 24.20 H new ATOM 0 HE3 LYS A 59 -12.666 -11.166 -40.010 1.00 24.20 H new ATOM 0 HZ1 LYS A 59 -12.344 -8.868 -40.653 1.00 70.14 H new ATOM 0 HZ2 LYS A 59 -12.616 -8.969 -38.980 1.00 70.14 H new ATOM 0 HZ3 LYS A 59 -11.046 -8.707 -39.571 1.00 70.14 H new ATOM 909 N ASP A 60 -9.989 -14.619 -35.246 1.00 63.41 N ATOM 910 CA ASP A 60 -9.642 -14.294 -33.868 1.00 23.25 C ATOM 911 C ASP A 60 -8.177 -14.618 -33.587 1.00 74.34 C ATOM 912 O ASP A 60 -7.413 -14.928 -34.500 1.00 71.02 O ATOM 913 CB ASP A 60 -10.542 -15.063 -32.899 1.00 55.30 C ATOM 914 CG ASP A 60 -11.183 -14.159 -31.865 1.00 51.24 C ATOM 915 OD1 ASP A 60 -12.236 -13.561 -32.171 1.00 35.21 O ATOM 916 OD2 ASP A 60 -10.631 -14.047 -30.750 1.00 50.42 O ATOM 0 H ASP A 60 -9.241 -15.069 -35.774 1.00 63.41 H new ATOM 0 HA ASP A 60 -9.794 -13.225 -33.722 1.00 23.25 H new ATOM 0 HB2 ASP A 60 -11.321 -15.577 -33.461 1.00 55.30 H new ATOM 0 HB3 ASP A 60 -9.955 -15.830 -32.393 1.00 55.30 H new ATOM 921 N PHE A 61 -7.794 -14.542 -32.317 1.00 54.10 N ATOM 922 CA PHE A 61 -6.421 -14.824 -31.915 1.00 11.45 C ATOM 923 C PHE A 61 -5.452 -13.839 -32.562 1.00 24.34 C ATOM 924 O PHE A 61 -5.860 -12.943 -33.299 1.00 63.23 O ATOM 925 CB PHE A 61 -6.040 -16.256 -32.295 1.00 3.35 C ATOM 926 CG PHE A 61 -7.059 -17.278 -31.878 1.00 24.25 C ATOM 927 CD1 PHE A 61 -7.295 -17.534 -30.536 1.00 64.51 C ATOM 928 CD2 PHE A 61 -7.781 -17.982 -32.827 1.00 64.40 C ATOM 929 CE1 PHE A 61 -8.231 -18.474 -30.151 1.00 60.53 C ATOM 930 CE2 PHE A 61 -8.720 -18.924 -32.448 1.00 4.43 C ATOM 931 CZ PHE A 61 -8.946 -19.168 -31.108 1.00 24.35 C ATOM 0 H PHE A 61 -8.415 -14.288 -31.549 1.00 54.10 H new ATOM 0 HA PHE A 61 -6.355 -14.713 -30.833 1.00 11.45 H new ATOM 0 HB2 PHE A 61 -5.901 -16.312 -33.375 1.00 3.35 H new ATOM 0 HB3 PHE A 61 -5.082 -16.502 -31.837 1.00 3.35 H new ATOM 0 HD1 PHE A 61 -6.741 -16.993 -29.783 1.00 64.51 H new ATOM 0 HD2 PHE A 61 -7.609 -17.793 -33.876 1.00 64.40 H new ATOM 0 HE1 PHE A 61 -8.404 -18.666 -29.102 1.00 60.53 H new ATOM 0 HE2 PHE A 61 -9.275 -19.467 -33.198 1.00 4.43 H new ATOM 0 HZ PHE A 61 -9.681 -19.901 -30.808 1.00 24.35 H new ATOM 941 N GLY A 62 -4.164 -14.013 -32.281 1.00 20.23 N ATOM 942 CA GLY A 62 -3.156 -13.133 -32.842 1.00 42.12 C ATOM 943 C GLY A 62 -1.757 -13.706 -32.728 1.00 63.22 C ATOM 944 O GLY A 62 -1.445 -14.727 -33.341 1.00 23.20 O ATOM 0 H GLY A 62 -3.801 -14.748 -31.674 1.00 20.23 H new ATOM 0 HA2 GLY A 62 -3.384 -12.947 -33.891 1.00 42.12 H new ATOM 0 HA3 GLY A 62 -3.194 -12.171 -32.332 1.00 42.12 H new ATOM 948 N ALA A 63 -0.912 -13.047 -31.943 1.00 13.14 N ATOM 949 CA ALA A 63 0.462 -13.497 -31.750 1.00 73.43 C ATOM 950 C ALA A 63 0.573 -14.415 -30.537 1.00 2.23 C ATOM 951 O ALA A 63 1.533 -15.176 -30.408 1.00 63.32 O ATOM 952 CB ALA A 63 1.392 -12.303 -31.598 1.00 50.44 C ATOM 0 H ALA A 63 -1.154 -12.199 -31.430 1.00 13.14 H new ATOM 0 HA ALA A 63 0.760 -14.065 -32.631 1.00 73.43 H new ATOM 0 HB1 ALA A 63 2.414 -12.654 -31.455 1.00 50.44 H new ATOM 0 HB2 ALA A 63 1.342 -11.687 -32.496 1.00 50.44 H new ATOM 0 HB3 ALA A 63 1.087 -11.712 -30.735 1.00 50.44 H new ATOM 958 N ASP A 64 -0.412 -14.338 -29.650 1.00 35.11 N ATOM 959 CA ASP A 64 -0.425 -15.162 -28.447 1.00 22.40 C ATOM 960 C ASP A 64 0.877 -15.006 -27.668 1.00 13.40 C ATOM 961 O ASP A 64 1.409 -15.975 -27.126 1.00 44.01 O ATOM 962 CB ASP A 64 -0.641 -16.632 -28.813 1.00 52.44 C ATOM 963 CG ASP A 64 -1.569 -17.338 -27.845 1.00 75.31 C ATOM 964 OD1 ASP A 64 -1.562 -16.981 -26.648 1.00 34.33 O ATOM 965 OD2 ASP A 64 -2.304 -18.248 -28.284 1.00 31.10 O ATOM 0 H ASP A 64 -1.213 -13.713 -29.741 1.00 35.11 H new ATOM 0 HA ASP A 64 -1.248 -14.827 -27.816 1.00 22.40 H new ATOM 0 HB2 ASP A 64 -1.054 -16.696 -29.820 1.00 52.44 H new ATOM 0 HB3 ASP A 64 0.321 -17.145 -28.829 1.00 52.44 H new ATOM 970 N CYS A 65 1.386 -13.780 -27.616 1.00 52.15 N ATOM 971 CA CYS A 65 2.626 -13.494 -26.904 1.00 22.21 C ATOM 972 C CYS A 65 2.373 -12.562 -25.723 1.00 42.31 C ATOM 973 O CYS A 65 1.545 -11.655 -25.800 1.00 1.42 O ATOM 974 CB CYS A 65 3.650 -12.868 -27.853 1.00 13.12 C ATOM 975 SG CYS A 65 4.210 -13.981 -29.183 1.00 52.51 S ATOM 0 H CYS A 65 0.958 -12.967 -28.059 1.00 52.15 H new ATOM 0 HA CYS A 65 3.022 -14.435 -26.522 1.00 22.21 H new ATOM 0 HB2 CYS A 65 3.215 -11.974 -28.301 1.00 13.12 H new ATOM 0 HB3 CYS A 65 4.516 -12.546 -27.275 1.00 13.12 H new ATOM 981 N LYS A 66 3.094 -12.793 -24.630 1.00 64.14 N ATOM 982 CA LYS A 66 2.951 -11.973 -23.433 1.00 31.31 C ATOM 983 C LYS A 66 4.110 -10.990 -23.304 1.00 62.31 C ATOM 984 O LYS A 66 5.266 -11.391 -23.178 1.00 12.22 O ATOM 985 CB LYS A 66 2.882 -12.861 -22.188 1.00 23.41 C ATOM 986 CG LYS A 66 2.012 -12.291 -21.082 1.00 73.52 C ATOM 987 CD LYS A 66 0.647 -12.959 -21.046 1.00 32.15 C ATOM 988 CE LYS A 66 -0.476 -11.934 -21.022 1.00 13.35 C ATOM 989 NZ LYS A 66 -1.808 -12.575 -20.846 1.00 75.34 N ATOM 0 H LYS A 66 3.783 -13.541 -24.549 1.00 64.14 H new ATOM 0 HA LYS A 66 2.025 -11.405 -23.521 1.00 31.31 H new ATOM 0 HB2 LYS A 66 2.498 -13.841 -22.472 1.00 23.41 H new ATOM 0 HB3 LYS A 66 3.891 -13.013 -21.804 1.00 23.41 H new ATOM 0 HG2 LYS A 66 2.509 -12.425 -20.121 1.00 73.52 H new ATOM 0 HG3 LYS A 66 1.889 -11.218 -21.231 1.00 73.52 H new ATOM 0 HD2 LYS A 66 0.534 -13.604 -21.917 1.00 32.15 H new ATOM 0 HD3 LYS A 66 0.577 -13.598 -20.166 1.00 32.15 H new ATOM 0 HE2 LYS A 66 -0.304 -11.226 -20.212 1.00 13.35 H new ATOM 0 HE3 LYS A 66 -0.467 -11.364 -21.951 1.00 13.35 H new ATOM 0 HZ1 LYS A 66 -2.547 -11.843 -20.835 1.00 75.34 H new ATOM 0 HZ2 LYS A 66 -1.984 -13.232 -21.633 1.00 75.34 H new ATOM 0 HZ3 LYS A 66 -1.825 -13.098 -19.947 1.00 75.34 H new ATOM 1003 N TYR A 67 3.791 -9.701 -23.338 1.00 41.43 N ATOM 1004 CA TYR A 67 4.806 -8.659 -23.226 1.00 60.30 C ATOM 1005 C TYR A 67 4.782 -8.020 -21.841 1.00 31.32 C ATOM 1006 O TYR A 67 3.724 -7.881 -21.226 1.00 24.30 O ATOM 1007 CB TYR A 67 4.589 -7.589 -24.297 1.00 3.03 C ATOM 1008 CG TYR A 67 4.933 -8.053 -25.695 1.00 52.33 C ATOM 1009 CD1 TYR A 67 6.256 -8.213 -26.089 1.00 12.51 C ATOM 1010 CD2 TYR A 67 3.937 -8.329 -26.622 1.00 74.31 C ATOM 1011 CE1 TYR A 67 6.576 -8.635 -27.364 1.00 23.54 C ATOM 1012 CE2 TYR A 67 4.246 -8.754 -27.899 1.00 25.21 C ATOM 1013 CZ TYR A 67 5.567 -8.905 -28.266 1.00 3.24 C ATOM 1014 OH TYR A 67 5.880 -9.327 -29.537 1.00 65.02 O ATOM 0 H TYR A 67 2.838 -9.352 -23.442 1.00 41.43 H new ATOM 0 HA TYR A 67 5.782 -9.121 -23.376 1.00 60.30 H new ATOM 0 HB2 TYR A 67 3.547 -7.271 -24.275 1.00 3.03 H new ATOM 0 HB3 TYR A 67 5.194 -6.716 -24.054 1.00 3.03 H new ATOM 0 HD1 TYR A 67 7.048 -8.003 -25.385 1.00 12.51 H new ATOM 0 HD2 TYR A 67 2.902 -8.209 -26.339 1.00 74.31 H new ATOM 0 HE1 TYR A 67 7.610 -8.753 -27.654 1.00 23.54 H new ATOM 0 HE2 TYR A 67 3.458 -8.967 -28.606 1.00 25.21 H new ATOM 0 HH TYR A 67 5.608 -10.262 -29.648 1.00 65.02 H new ATOM 1024 N LYS A 68 5.956 -7.633 -21.354 1.00 60.22 N ATOM 1025 CA LYS A 68 6.072 -7.007 -20.043 1.00 43.20 C ATOM 1026 C LYS A 68 6.554 -5.565 -20.169 1.00 3.21 C ATOM 1027 O LYS A 68 7.712 -5.314 -20.502 1.00 11.24 O ATOM 1028 CB LYS A 68 7.035 -7.802 -19.159 1.00 51.23 C ATOM 1029 CG LYS A 68 6.646 -7.812 -17.691 1.00 34.13 C ATOM 1030 CD LYS A 68 7.459 -6.809 -16.891 1.00 4.32 C ATOM 1031 CE LYS A 68 7.370 -7.083 -15.397 1.00 71.50 C ATOM 1032 NZ LYS A 68 6.106 -6.557 -14.812 1.00 33.22 N ATOM 0 H LYS A 68 6.841 -7.742 -21.848 1.00 60.22 H new ATOM 0 HA LYS A 68 5.084 -7.002 -19.582 1.00 43.20 H new ATOM 0 HB2 LYS A 68 7.083 -8.829 -19.521 1.00 51.23 H new ATOM 0 HB3 LYS A 68 8.036 -7.382 -19.258 1.00 51.23 H new ATOM 0 HG2 LYS A 68 5.585 -7.582 -17.593 1.00 34.13 H new ATOM 0 HG3 LYS A 68 6.794 -8.811 -17.281 1.00 34.13 H new ATOM 0 HD2 LYS A 68 8.501 -6.849 -17.208 1.00 4.32 H new ATOM 0 HD3 LYS A 68 7.101 -5.801 -17.099 1.00 4.32 H new ATOM 0 HE2 LYS A 68 7.433 -8.157 -15.220 1.00 71.50 H new ATOM 0 HE3 LYS A 68 8.221 -6.626 -14.892 1.00 71.50 H new ATOM 0 HZ1 LYS A 68 6.083 -6.763 -13.793 1.00 33.22 H new ATOM 0 HZ2 LYS A 68 6.057 -5.528 -14.958 1.00 33.22 H new ATOM 0 HZ3 LYS A 68 5.293 -7.011 -15.276 1.00 33.22 H new ATOM 1046 N PHE A 69 5.658 -4.620 -19.901 1.00 30.33 N ATOM 1047 CA PHE A 69 5.993 -3.204 -19.984 1.00 61.13 C ATOM 1048 C PHE A 69 6.225 -2.618 -18.594 1.00 61.02 C ATOM 1049 O PHE A 69 5.742 -3.149 -17.595 1.00 60.14 O ATOM 1050 CB PHE A 69 4.876 -2.435 -20.694 1.00 14.44 C ATOM 1051 CG PHE A 69 4.954 -2.512 -22.192 1.00 61.14 C ATOM 1052 CD1 PHE A 69 5.996 -1.907 -22.876 1.00 60.50 C ATOM 1053 CD2 PHE A 69 3.985 -3.188 -22.915 1.00 4.42 C ATOM 1054 CE1 PHE A 69 6.071 -1.976 -24.255 1.00 13.43 C ATOM 1055 CE2 PHE A 69 4.055 -3.261 -24.294 1.00 2.44 C ATOM 1056 CZ PHE A 69 5.099 -2.653 -24.964 1.00 32.11 C ATOM 0 H PHE A 69 4.695 -4.810 -19.625 1.00 30.33 H new ATOM 0 HA PHE A 69 6.914 -3.107 -20.559 1.00 61.13 H new ATOM 0 HB2 PHE A 69 3.912 -2.826 -20.368 1.00 14.44 H new ATOM 0 HB3 PHE A 69 4.915 -1.389 -20.389 1.00 14.44 H new ATOM 0 HD1 PHE A 69 6.758 -1.375 -22.326 1.00 60.50 H new ATOM 0 HD2 PHE A 69 3.166 -3.663 -22.396 1.00 4.42 H new ATOM 0 HE1 PHE A 69 6.889 -1.501 -24.777 1.00 13.43 H new ATOM 0 HE2 PHE A 69 3.294 -3.793 -24.847 1.00 2.44 H new ATOM 0 HZ PHE A 69 5.155 -2.707 -26.041 1.00 32.11 H new ATOM 1066 N GLY A 70 6.970 -1.517 -18.540 1.00 32.40 N ATOM 1067 CA GLY A 70 7.256 -0.877 -17.269 1.00 70.54 C ATOM 1068 C GLY A 70 6.607 0.489 -17.150 1.00 34.24 C ATOM 1069 O GLY A 70 5.438 0.597 -16.777 1.00 11.34 O ATOM 0 H GLY A 70 7.380 -1.058 -19.353 1.00 32.40 H new ATOM 0 HA2 GLY A 70 6.906 -1.515 -16.457 1.00 70.54 H new ATOM 0 HA3 GLY A 70 8.335 -0.775 -17.151 1.00 70.54 H new ATOM 1073 N ARG A 71 7.366 1.533 -17.465 1.00 23.44 N ATOM 1074 CA ARG A 71 6.859 2.897 -17.388 1.00 61.04 C ATOM 1075 C ARG A 71 7.439 3.756 -18.507 1.00 61.42 C ATOM 1076 O ARG A 71 8.606 3.613 -18.872 1.00 64.54 O ATOM 1077 CB ARG A 71 7.197 3.514 -16.030 1.00 0.24 C ATOM 1078 CG ARG A 71 7.145 2.520 -14.881 1.00 40.51 C ATOM 1079 CD ARG A 71 6.892 3.218 -13.553 1.00 51.31 C ATOM 1080 NE ARG A 71 8.083 3.906 -13.060 1.00 65.21 N ATOM 1081 CZ ARG A 71 8.091 4.678 -11.979 1.00 11.21 C ATOM 1082 NH1 ARG A 71 6.978 4.858 -11.281 1.00 44.34 N ATOM 1083 NH2 ARG A 71 9.214 5.270 -11.594 1.00 71.22 N ATOM 0 H ARG A 71 8.335 1.460 -17.776 1.00 23.44 H new ATOM 0 HA ARG A 71 5.776 2.862 -17.504 1.00 61.04 H new ATOM 0 HB2 ARG A 71 8.195 3.951 -16.077 1.00 0.24 H new ATOM 0 HB3 ARG A 71 6.502 4.328 -15.827 1.00 0.24 H new ATOM 0 HG2 ARG A 71 6.357 1.789 -15.065 1.00 40.51 H new ATOM 0 HG3 ARG A 71 8.085 1.970 -14.831 1.00 40.51 H new ATOM 0 HD2 ARG A 71 6.081 3.937 -13.670 1.00 51.31 H new ATOM 0 HD3 ARG A 71 6.565 2.485 -12.815 1.00 51.31 H new ATOM 0 HE ARG A 71 8.956 3.787 -13.574 1.00 65.21 H new ATOM 0 HH11 ARG A 71 6.113 4.403 -11.574 1.00 44.34 H new ATOM 0 HH12 ARG A 71 6.987 5.451 -10.451 1.00 44.34 H new ATOM 0 HH21 ARG A 71 10.072 5.133 -12.128 1.00 71.22 H new ATOM 0 HH22 ARG A 71 9.219 5.863 -10.764 1.00 71.22 H new ATOM 1097 N TRP A 72 6.617 4.648 -19.049 1.00 33.33 N ATOM 1098 CA TRP A 72 7.048 5.529 -20.128 1.00 41.23 C ATOM 1099 C TRP A 72 7.782 6.747 -19.575 1.00 34.13 C ATOM 1100 O TRP A 72 7.160 7.741 -19.202 1.00 31.30 O ATOM 1101 CB TRP A 72 5.845 5.978 -20.959 1.00 44.01 C ATOM 1102 CG TRP A 72 4.984 4.841 -21.420 1.00 65.24 C ATOM 1103 CD1 TRP A 72 3.987 4.229 -20.715 1.00 43.41 C ATOM 1104 CD2 TRP A 72 5.046 4.179 -22.688 1.00 32.34 C ATOM 1105 NE1 TRP A 72 3.426 3.227 -21.468 1.00 34.12 N ATOM 1106 CE2 TRP A 72 4.057 3.175 -22.683 1.00 53.25 C ATOM 1107 CE3 TRP A 72 5.839 4.336 -23.828 1.00 13.15 C ATOM 1108 CZ2 TRP A 72 3.843 2.335 -23.773 1.00 54.14 C ATOM 1109 CZ3 TRP A 72 5.626 3.501 -24.908 1.00 0.30 C ATOM 1110 CH2 TRP A 72 4.634 2.512 -24.875 1.00 53.12 C ATOM 0 H TRP A 72 5.648 4.780 -18.759 1.00 33.33 H new ATOM 0 HA TRP A 72 7.734 4.972 -20.766 1.00 41.23 H new ATOM 0 HB2 TRP A 72 5.240 6.666 -20.368 1.00 44.01 H new ATOM 0 HB3 TRP A 72 6.199 6.532 -21.828 1.00 44.01 H new ATOM 0 HD1 TRP A 72 3.684 4.494 -19.713 1.00 43.41 H new ATOM 0 HE1 TRP A 72 2.663 2.619 -21.171 1.00 34.12 H new ATOM 0 HE3 TRP A 72 6.605 5.097 -23.864 1.00 13.15 H new ATOM 0 HZ2 TRP A 72 3.080 1.571 -23.749 1.00 54.14 H new ATOM 0 HZ3 TRP A 72 6.235 3.613 -25.793 1.00 0.30 H new ATOM 0 HH2 TRP A 72 4.491 1.877 -25.737 1.00 53.12 H new ATOM 1121 N ALA A 73 9.107 6.661 -19.525 1.00 12.12 N ATOM 1122 CA ALA A 73 9.925 7.756 -19.020 1.00 72.14 C ATOM 1123 C ALA A 73 9.655 9.044 -19.792 1.00 22.12 C ATOM 1124 O ALA A 73 8.773 9.091 -20.647 1.00 61.44 O ATOM 1125 CB ALA A 73 11.400 7.392 -19.096 1.00 32.33 C ATOM 0 H ALA A 73 9.637 5.844 -19.828 1.00 12.12 H new ATOM 0 HA ALA A 73 9.658 7.925 -17.977 1.00 72.14 H new ATOM 0 HB1 ALA A 73 11.999 8.219 -18.715 1.00 32.33 H new ATOM 0 HB2 ALA A 73 11.587 6.502 -18.495 1.00 32.33 H new ATOM 0 HB3 ALA A 73 11.673 7.193 -20.132 1.00 32.33 H new ATOM 1131 N GLU A 74 10.421 10.085 -19.482 1.00 4.35 N ATOM 1132 CA GLU A 74 10.263 11.373 -20.147 1.00 51.22 C ATOM 1133 C GLU A 74 10.558 11.255 -21.639 1.00 44.33 C ATOM 1134 O GLU A 74 10.979 10.203 -22.119 1.00 24.00 O ATOM 1135 CB GLU A 74 11.187 12.416 -19.513 1.00 73.42 C ATOM 1136 CG GLU A 74 10.981 12.583 -18.017 1.00 22.45 C ATOM 1137 CD GLU A 74 9.682 13.290 -17.681 1.00 24.24 C ATOM 1138 OE1 GLU A 74 9.648 14.536 -17.764 1.00 24.33 O ATOM 1139 OE2 GLU A 74 8.701 12.599 -17.335 1.00 62.21 O ATOM 0 H GLU A 74 11.156 10.062 -18.775 1.00 4.35 H new ATOM 0 HA GLU A 74 9.228 11.692 -20.024 1.00 51.22 H new ATOM 0 HB2 GLU A 74 12.223 12.132 -19.699 1.00 73.42 H new ATOM 0 HB3 GLU A 74 11.027 13.377 -20.003 1.00 73.42 H new ATOM 0 HG2 GLU A 74 10.990 11.602 -17.541 1.00 22.45 H new ATOM 0 HG3 GLU A 74 11.815 13.147 -17.600 1.00 22.45 H new ATOM 1146 N CYS A 75 10.334 12.344 -22.368 1.00 31.12 N ATOM 1147 CA CYS A 75 10.575 12.365 -23.806 1.00 33.04 C ATOM 1148 C CYS A 75 11.976 12.885 -24.116 1.00 35.44 C ATOM 1149 O CYS A 75 12.429 13.864 -23.525 1.00 1.41 O ATOM 1150 CB CYS A 75 9.530 13.235 -24.506 1.00 73.31 C ATOM 1151 SG CYS A 75 7.899 13.236 -23.695 1.00 75.51 S ATOM 0 H CYS A 75 9.986 13.223 -21.986 1.00 31.12 H new ATOM 0 HA CYS A 75 10.496 11.343 -24.177 1.00 33.04 H new ATOM 0 HB2 CYS A 75 9.900 14.259 -24.556 1.00 73.31 H new ATOM 0 HB3 CYS A 75 9.413 12.888 -25.533 1.00 73.31 H new ATOM 1157 N ASP A 76 12.654 12.222 -25.046 1.00 20.13 N ATOM 1158 CA ASP A 76 14.002 12.617 -25.435 1.00 45.30 C ATOM 1159 C ASP A 76 13.978 13.917 -26.234 1.00 73.04 C ATOM 1160 O ASP A 76 13.135 14.105 -27.111 1.00 20.41 O ATOM 1161 CB ASP A 76 14.663 11.511 -26.259 1.00 14.11 C ATOM 1162 CG ASP A 76 15.052 10.313 -25.413 1.00 65.25 C ATOM 1163 OD1 ASP A 76 14.207 9.410 -25.244 1.00 14.41 O ATOM 1164 OD2 ASP A 76 16.200 10.281 -24.922 1.00 53.12 O ATOM 0 H ASP A 76 12.292 11.409 -25.544 1.00 20.13 H new ATOM 0 HA ASP A 76 14.582 12.779 -24.527 1.00 45.30 H new ATOM 0 HB2 ASP A 76 13.980 11.190 -27.046 1.00 14.11 H new ATOM 0 HB3 ASP A 76 15.551 11.909 -26.750 1.00 14.11 H new ATOM 1169 N THR A 77 14.909 14.814 -25.924 1.00 11.10 N ATOM 1170 CA THR A 77 14.993 16.097 -26.610 1.00 52.50 C ATOM 1171 C THR A 77 15.208 15.907 -28.108 1.00 54.41 C ATOM 1172 O THR A 77 14.958 16.815 -28.901 1.00 21.34 O ATOM 1173 CB THR A 77 16.135 16.963 -26.045 1.00 2.35 C ATOM 1174 OG1 THR A 77 17.034 16.150 -25.281 1.00 62.32 O ATOM 1175 CG2 THR A 77 15.587 18.080 -25.171 1.00 75.15 C ATOM 0 H THR A 77 15.616 14.675 -25.202 1.00 11.10 H new ATOM 0 HA THR A 77 14.044 16.607 -26.444 1.00 52.50 H new ATOM 0 HB THR A 77 16.671 17.409 -26.883 1.00 2.35 H new ATOM 0 HG1 THR A 77 17.758 16.707 -24.927 1.00 62.32 H new ATOM 0 HG21 THR A 77 16.412 18.677 -24.784 1.00 75.15 H new ATOM 0 HG22 THR A 77 14.926 18.714 -25.762 1.00 75.15 H new ATOM 0 HG23 THR A 77 15.029 17.651 -24.339 1.00 75.15 H new ATOM 1183 N THR A 78 15.672 14.721 -28.487 1.00 23.34 N ATOM 1184 CA THR A 78 15.921 14.411 -29.890 1.00 73.30 C ATOM 1185 C THR A 78 14.696 14.715 -30.745 1.00 44.15 C ATOM 1186 O THR A 78 14.661 15.714 -31.466 1.00 34.44 O ATOM 1187 CB THR A 78 16.310 12.933 -30.079 1.00 31.11 C ATOM 1188 OG1 THR A 78 17.521 12.651 -29.367 1.00 31.20 O ATOM 1189 CG2 THR A 78 16.495 12.606 -31.553 1.00 73.42 C ATOM 0 H THR A 78 15.883 13.959 -27.843 1.00 23.34 H new ATOM 0 HA THR A 78 16.751 15.041 -30.210 1.00 73.30 H new ATOM 0 HB THR A 78 15.504 12.314 -29.685 1.00 31.11 H new ATOM 0 HG1 THR A 78 17.761 11.709 -29.490 1.00 31.20 H new ATOM 0 HG21 THR A 78 16.769 11.557 -31.661 1.00 73.42 H new ATOM 0 HG22 THR A 78 15.564 12.795 -32.087 1.00 73.42 H new ATOM 0 HG23 THR A 78 17.285 13.232 -31.968 1.00 73.42 H new ATOM 1197 N THR A 79 13.691 13.849 -30.662 1.00 10.25 N ATOM 1198 CA THR A 79 12.464 14.025 -31.429 1.00 23.24 C ATOM 1199 C THR A 79 11.289 14.358 -30.517 1.00 43.32 C ATOM 1200 O THR A 79 10.139 14.372 -30.952 1.00 71.43 O ATOM 1201 CB THR A 79 12.125 12.762 -32.244 1.00 12.34 C ATOM 1202 OG1 THR A 79 10.887 12.945 -32.940 1.00 52.44 O ATOM 1203 CG2 THR A 79 12.028 11.544 -31.337 1.00 32.33 C ATOM 0 H THR A 79 13.703 13.018 -30.071 1.00 10.25 H new ATOM 0 HA THR A 79 12.636 14.855 -32.114 1.00 23.24 H new ATOM 0 HB THR A 79 12.925 12.596 -32.966 1.00 12.34 H new ATOM 0 HG1 THR A 79 10.441 13.752 -32.608 1.00 52.44 H new ATOM 0 HG21 THR A 79 11.788 10.664 -31.934 1.00 32.33 H new ATOM 0 HG22 THR A 79 12.981 11.390 -30.831 1.00 32.33 H new ATOM 0 HG23 THR A 79 11.245 11.704 -30.595 1.00 32.33 H new ATOM 1211 N GLY A 80 11.587 14.629 -29.250 1.00 24.14 N ATOM 1212 CA GLY A 80 10.543 14.959 -28.297 1.00 45.41 C ATOM 1213 C GLY A 80 9.534 13.841 -28.130 1.00 24.24 C ATOM 1214 O GLY A 80 8.328 14.060 -28.239 1.00 41.30 O ATOM 0 H GLY A 80 12.532 14.626 -28.867 1.00 24.14 H new ATOM 0 HA2 GLY A 80 10.995 15.183 -27.331 1.00 45.41 H new ATOM 0 HA3 GLY A 80 10.028 15.862 -28.625 1.00 45.41 H new ATOM 1218 N THR A 81 10.028 12.635 -27.865 1.00 22.21 N ATOM 1219 CA THR A 81 9.162 11.477 -27.686 1.00 65.41 C ATOM 1220 C THR A 81 9.685 10.565 -26.581 1.00 64.33 C ATOM 1221 O THR A 81 10.880 10.551 -26.289 1.00 23.43 O ATOM 1222 CB THR A 81 9.034 10.664 -28.989 1.00 33.10 C ATOM 1223 OG1 THR A 81 10.132 9.754 -29.108 1.00 23.34 O ATOM 1224 CG2 THR A 81 8.997 11.584 -30.199 1.00 43.35 C ATOM 0 H THR A 81 11.024 12.436 -27.770 1.00 22.21 H new ATOM 0 HA THR A 81 8.180 11.857 -27.406 1.00 65.41 H new ATOM 0 HB THR A 81 8.100 10.103 -28.951 1.00 33.10 H new ATOM 0 HG1 THR A 81 10.042 9.240 -29.938 1.00 23.34 H new ATOM 0 HG21 THR A 81 8.906 10.988 -31.107 1.00 43.35 H new ATOM 0 HG22 THR A 81 8.142 12.256 -30.119 1.00 43.35 H new ATOM 0 HG23 THR A 81 9.916 12.169 -30.239 1.00 43.35 H new ATOM 1232 N ARG A 82 8.781 9.806 -25.971 1.00 12.25 N ATOM 1233 CA ARG A 82 9.152 8.892 -24.897 1.00 70.25 C ATOM 1234 C ARG A 82 9.121 7.445 -25.381 1.00 72.13 C ATOM 1235 O ARG A 82 8.102 6.968 -25.880 1.00 64.31 O ATOM 1236 CB ARG A 82 8.208 9.062 -23.705 1.00 72.32 C ATOM 1237 CG ARG A 82 6.757 8.743 -24.026 1.00 11.10 C ATOM 1238 CD ARG A 82 5.840 9.084 -22.861 1.00 44.12 C ATOM 1239 NE ARG A 82 4.444 8.774 -23.155 1.00 11.23 N ATOM 1240 CZ ARG A 82 3.420 9.289 -22.483 1.00 31.45 C ATOM 1241 NH1 ARG A 82 3.635 10.135 -21.486 1.00 11.40 N ATOM 1242 NH2 ARG A 82 2.177 8.958 -22.809 1.00 23.21 N ATOM 0 H ARG A 82 7.787 9.806 -26.202 1.00 12.25 H new ATOM 0 HA ARG A 82 10.168 9.132 -24.584 1.00 70.25 H new ATOM 0 HB2 ARG A 82 8.542 8.416 -22.893 1.00 72.32 H new ATOM 0 HB3 ARG A 82 8.274 10.088 -23.344 1.00 72.32 H new ATOM 0 HG2 ARG A 82 6.448 9.301 -24.909 1.00 11.10 H new ATOM 0 HG3 ARG A 82 6.661 7.685 -24.268 1.00 11.10 H new ATOM 0 HD2 ARG A 82 6.156 8.530 -21.977 1.00 44.12 H new ATOM 0 HD3 ARG A 82 5.934 10.144 -22.624 1.00 44.12 H new ATOM 0 HE ARG A 82 4.244 8.127 -23.918 1.00 11.23 H new ATOM 0 HH11 ARG A 82 4.589 10.393 -21.232 1.00 11.40 H new ATOM 0 HH12 ARG A 82 2.847 10.529 -20.972 1.00 11.40 H new ATOM 0 HH21 ARG A 82 2.007 8.308 -23.576 1.00 23.21 H new ATOM 0 HH22 ARG A 82 1.392 9.354 -22.292 1.00 23.21 H new ATOM 1256 N SER A 83 10.245 6.751 -25.228 1.00 42.12 N ATOM 1257 CA SER A 83 10.349 5.360 -25.653 1.00 73.12 C ATOM 1258 C SER A 83 10.344 4.424 -24.448 1.00 20.53 C ATOM 1259 O SER A 83 10.875 4.753 -23.389 1.00 42.31 O ATOM 1260 CB SER A 83 11.622 5.149 -26.473 1.00 3.12 C ATOM 1261 OG SER A 83 12.762 5.623 -25.776 1.00 73.54 O ATOM 0 H SER A 83 11.096 7.130 -24.813 1.00 42.12 H new ATOM 0 HA SER A 83 9.484 5.129 -26.275 1.00 73.12 H new ATOM 0 HB2 SER A 83 11.743 4.089 -26.696 1.00 3.12 H new ATOM 0 HB3 SER A 83 11.534 5.668 -27.428 1.00 3.12 H new ATOM 0 HG SER A 83 13.563 5.475 -26.321 1.00 73.54 H new ATOM 1267 N ARG A 84 9.739 3.252 -24.621 1.00 50.31 N ATOM 1268 CA ARG A 84 9.663 2.266 -23.549 1.00 42.23 C ATOM 1269 C ARG A 84 10.153 0.903 -24.029 1.00 55.32 C ATOM 1270 O ARG A 84 9.911 0.513 -25.171 1.00 2.34 O ATOM 1271 CB ARG A 84 8.228 2.152 -23.034 1.00 73.53 C ATOM 1272 CG ARG A 84 8.003 0.963 -22.115 1.00 0.43 C ATOM 1273 CD ARG A 84 8.854 1.062 -20.857 1.00 64.40 C ATOM 1274 NE ARG A 84 9.110 -0.249 -20.266 1.00 43.43 N ATOM 1275 CZ ARG A 84 9.881 -0.435 -19.200 1.00 74.20 C ATOM 1276 NH1 ARG A 84 10.467 0.599 -18.612 1.00 2.11 N ATOM 1277 NH2 ARG A 84 10.066 -1.658 -18.719 1.00 64.44 N ATOM 0 H ARG A 84 9.295 2.963 -25.493 1.00 50.31 H new ATOM 0 HA ARG A 84 10.308 2.599 -22.736 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.969 3.067 -22.501 1.00 73.53 H new ATOM 0 HB3 ARG A 84 7.551 2.076 -23.885 1.00 73.53 H new ATOM 0 HG2 ARG A 84 6.950 0.909 -21.840 1.00 0.43 H new ATOM 0 HG3 ARG A 84 8.242 0.041 -22.646 1.00 0.43 H new ATOM 0 HD2 ARG A 84 9.802 1.543 -21.097 1.00 64.40 H new ATOM 0 HD3 ARG A 84 8.351 1.697 -20.128 1.00 64.40 H new ATOM 0 HE ARG A 84 8.674 -1.065 -20.695 1.00 43.43 H new ATOM 0 HH11 ARG A 84 10.326 1.541 -18.978 1.00 2.11 H new ATOM 0 HH12 ARG A 84 11.058 0.453 -17.794 1.00 2.11 H new ATOM 0 HH21 ARG A 84 9.616 -2.456 -19.168 1.00 64.44 H new ATOM 0 HH22 ARG A 84 10.658 -1.800 -17.901 1.00 64.44 H new ATOM 1291 N SER A 85 10.842 0.184 -23.149 1.00 43.44 N ATOM 1292 CA SER A 85 11.370 -1.132 -23.483 1.00 20.03 C ATOM 1293 C SER A 85 10.741 -2.209 -22.603 1.00 64.12 C ATOM 1294 O SER A 85 10.774 -2.121 -21.376 1.00 20.41 O ATOM 1295 CB SER A 85 12.892 -1.152 -23.324 1.00 73.23 C ATOM 1296 OG SER A 85 13.348 -2.436 -22.939 1.00 32.33 O ATOM 0 H SER A 85 11.047 0.492 -22.198 1.00 43.44 H new ATOM 0 HA SER A 85 11.119 -1.343 -24.522 1.00 20.03 H new ATOM 0 HB2 SER A 85 13.363 -0.862 -24.264 1.00 73.23 H new ATOM 0 HB3 SER A 85 13.192 -0.417 -22.577 1.00 73.23 H new ATOM 0 HG SER A 85 14.323 -2.422 -22.846 1.00 32.33 H new ATOM 1302 N GLY A 86 10.169 -3.226 -23.240 1.00 22.23 N ATOM 1303 CA GLY A 86 9.541 -4.305 -22.502 1.00 13.51 C ATOM 1304 C GLY A 86 10.221 -5.640 -22.734 1.00 12.32 C ATOM 1305 O GLY A 86 10.785 -5.882 -23.802 1.00 12.20 O ATOM 0 H GLY A 86 10.130 -3.321 -24.255 1.00 22.23 H new ATOM 0 HA2 GLY A 86 9.560 -4.072 -21.437 1.00 13.51 H new ATOM 0 HA3 GLY A 86 8.493 -4.379 -22.794 1.00 13.51 H new ATOM 1309 N THR A 87 10.172 -6.510 -21.730 1.00 52.43 N ATOM 1310 CA THR A 87 10.791 -7.826 -21.827 1.00 51.40 C ATOM 1311 C THR A 87 9.742 -8.915 -22.010 1.00 74.44 C ATOM 1312 O THR A 87 8.832 -9.060 -21.191 1.00 12.33 O ATOM 1313 CB THR A 87 11.633 -8.145 -20.577 1.00 22.22 C ATOM 1314 OG1 THR A 87 10.955 -7.689 -19.401 1.00 14.45 O ATOM 1315 CG2 THR A 87 13.003 -7.490 -20.665 1.00 63.25 C ATOM 0 H THR A 87 9.710 -6.327 -20.840 1.00 52.43 H new ATOM 0 HA THR A 87 11.444 -7.804 -22.700 1.00 51.40 H new ATOM 0 HB THR A 87 11.768 -9.225 -20.523 1.00 22.22 H new ATOM 0 HG1 THR A 87 11.496 -7.897 -18.610 1.00 14.45 H new ATOM 0 HG21 THR A 87 13.579 -7.730 -19.771 1.00 63.25 H new ATOM 0 HG22 THR A 87 13.528 -7.861 -21.545 1.00 63.25 H new ATOM 0 HG23 THR A 87 12.885 -6.409 -20.742 1.00 63.25 H new ATOM 1323 N LEU A 88 9.870 -9.680 -23.088 1.00 64.43 N ATOM 1324 CA LEU A 88 8.932 -10.758 -23.379 1.00 20.15 C ATOM 1325 C LEU A 88 9.520 -12.111 -22.991 1.00 62.25 C ATOM 1326 O LEU A 88 10.681 -12.401 -23.279 1.00 20.14 O ATOM 1327 CB LEU A 88 8.566 -10.756 -24.865 1.00 53.04 C ATOM 1328 CG LEU A 88 8.080 -12.087 -25.438 1.00 23.41 C ATOM 1329 CD1 LEU A 88 6.645 -11.965 -25.928 1.00 34.45 C ATOM 1330 CD2 LEU A 88 8.993 -12.547 -26.566 1.00 53.24 C ATOM 0 H LEU A 88 10.615 -9.574 -23.776 1.00 64.43 H new ATOM 0 HA LEU A 88 8.031 -10.591 -22.789 1.00 20.15 H new ATOM 0 HB2 LEU A 88 7.789 -10.009 -25.026 1.00 53.04 H new ATOM 0 HB3 LEU A 88 9.439 -10.436 -25.433 1.00 53.04 H new ATOM 0 HG LEU A 88 8.109 -12.834 -24.645 1.00 23.41 H new ATOM 0 HD11 LEU A 88 6.316 -12.922 -26.333 1.00 34.45 H new ATOM 0 HD12 LEU A 88 6.000 -11.681 -25.097 1.00 34.45 H new ATOM 0 HD13 LEU A 88 6.590 -11.204 -26.706 1.00 34.45 H new ATOM 0 HD21 LEU A 88 8.632 -13.496 -26.962 1.00 53.24 H new ATOM 0 HD22 LEU A 88 8.995 -11.800 -27.360 1.00 53.24 H new ATOM 0 HD23 LEU A 88 10.006 -12.675 -26.185 1.00 53.24 H new ATOM 1342 N LYS A 89 8.709 -12.936 -22.337 1.00 23.13 N ATOM 1343 CA LYS A 89 9.146 -14.261 -21.912 1.00 22.33 C ATOM 1344 C LYS A 89 8.372 -15.351 -22.647 1.00 2.43 C ATOM 1345 O LYS A 89 8.869 -16.463 -22.830 1.00 74.14 O ATOM 1346 CB LYS A 89 8.963 -14.420 -20.401 1.00 25.11 C ATOM 1347 CG LYS A 89 10.272 -14.489 -19.634 1.00 32.42 C ATOM 1348 CD LYS A 89 10.041 -14.450 -18.133 1.00 13.10 C ATOM 1349 CE LYS A 89 11.354 -14.481 -17.365 1.00 34.13 C ATOM 1350 NZ LYS A 89 11.688 -15.854 -16.893 1.00 60.12 N ATOM 0 H LYS A 89 7.745 -12.710 -22.090 1.00 23.13 H new ATOM 0 HA LYS A 89 10.203 -14.364 -22.156 1.00 22.33 H new ATOM 0 HB2 LYS A 89 8.375 -13.583 -20.025 1.00 25.11 H new ATOM 0 HB3 LYS A 89 8.389 -15.326 -20.206 1.00 25.11 H new ATOM 0 HG2 LYS A 89 10.802 -15.404 -19.898 1.00 32.42 H new ATOM 0 HG3 LYS A 89 10.911 -13.656 -19.927 1.00 32.42 H new ATOM 0 HD2 LYS A 89 9.487 -13.548 -17.873 1.00 13.10 H new ATOM 0 HD3 LYS A 89 9.425 -15.299 -17.837 1.00 13.10 H new ATOM 0 HE2 LYS A 89 12.157 -14.111 -18.003 1.00 34.13 H new ATOM 0 HE3 LYS A 89 11.291 -13.808 -16.510 1.00 34.13 H new ATOM 0 HZ1 LYS A 89 12.589 -15.833 -16.374 1.00 60.12 H new ATOM 0 HZ2 LYS A 89 10.934 -16.198 -16.264 1.00 60.12 H new ATOM 0 HZ3 LYS A 89 11.774 -16.491 -17.711 1.00 60.12 H new ATOM 1364 N LYS A 90 7.155 -15.025 -23.066 1.00 24.43 N ATOM 1365 CA LYS A 90 6.313 -15.976 -23.784 1.00 43.32 C ATOM 1366 C LYS A 90 6.569 -15.903 -25.287 1.00 54.01 C ATOM 1367 O LYS A 90 6.916 -14.848 -25.816 1.00 63.13 O ATOM 1368 CB LYS A 90 4.836 -15.699 -23.494 1.00 11.21 C ATOM 1369 CG LYS A 90 4.314 -16.417 -22.262 1.00 14.44 C ATOM 1370 CD LYS A 90 4.125 -17.903 -22.519 1.00 64.14 C ATOM 1371 CE LYS A 90 4.943 -18.745 -21.551 1.00 4.43 C ATOM 1372 NZ LYS A 90 6.296 -19.054 -22.092 1.00 74.52 N ATOM 0 H LYS A 90 6.729 -14.110 -22.921 1.00 24.43 H new ATOM 0 HA LYS A 90 6.564 -16.979 -23.439 1.00 43.32 H new ATOM 0 HB2 LYS A 90 4.694 -14.626 -23.366 1.00 11.21 H new ATOM 0 HB3 LYS A 90 4.242 -15.998 -24.358 1.00 11.21 H new ATOM 0 HG2 LYS A 90 5.010 -16.276 -21.435 1.00 14.44 H new ATOM 0 HG3 LYS A 90 3.365 -15.976 -21.958 1.00 14.44 H new ATOM 0 HD2 LYS A 90 3.070 -18.159 -22.423 1.00 64.14 H new ATOM 0 HD3 LYS A 90 4.418 -18.136 -23.543 1.00 64.14 H new ATOM 0 HE2 LYS A 90 5.043 -18.215 -20.604 1.00 4.43 H new ATOM 0 HE3 LYS A 90 4.414 -19.675 -21.342 1.00 4.43 H new ATOM 0 HZ1 LYS A 90 6.618 -19.970 -21.719 1.00 74.52 H new ATOM 0 HZ2 LYS A 90 6.253 -19.099 -23.130 1.00 74.52 H new ATOM 0 HZ3 LYS A 90 6.963 -18.310 -21.805 1.00 74.52 H new ATOM 1386 N ALA A 91 6.395 -17.031 -25.967 1.00 34.33 N ATOM 1387 CA ALA A 91 6.603 -17.094 -27.408 1.00 22.21 C ATOM 1388 C ALA A 91 5.723 -18.164 -28.044 1.00 14.24 C ATOM 1389 O ALA A 91 6.167 -18.908 -28.921 1.00 41.13 O ATOM 1390 CB ALA A 91 8.069 -17.360 -27.718 1.00 72.31 C ATOM 0 H ALA A 91 6.110 -17.914 -25.543 1.00 34.33 H new ATOM 0 HA ALA A 91 6.322 -16.131 -27.833 1.00 22.21 H new ATOM 0 HB1 ALA A 91 8.210 -17.405 -28.798 1.00 72.31 H new ATOM 0 HB2 ALA A 91 8.680 -16.557 -27.305 1.00 72.31 H new ATOM 0 HB3 ALA A 91 8.369 -18.309 -27.273 1.00 72.31 H new ATOM 1396 N LEU A 92 4.474 -18.240 -27.597 1.00 0.24 N ATOM 1397 CA LEU A 92 3.532 -19.221 -28.122 1.00 74.14 C ATOM 1398 C LEU A 92 3.166 -18.905 -29.569 1.00 73.23 C ATOM 1399 O LEU A 92 3.782 -18.048 -30.203 1.00 4.45 O ATOM 1400 CB LEU A 92 2.267 -19.255 -27.260 1.00 2.13 C ATOM 1401 CG LEU A 92 2.484 -19.179 -25.749 1.00 52.15 C ATOM 1402 CD1 LEU A 92 1.160 -19.310 -25.012 1.00 65.23 C ATOM 1403 CD2 LEU A 92 3.458 -20.256 -25.295 1.00 14.52 C ATOM 0 H LEU A 92 4.091 -17.634 -26.872 1.00 0.24 H new ATOM 0 HA LEU A 92 4.011 -20.200 -28.093 1.00 74.14 H new ATOM 0 HB2 LEU A 92 1.626 -18.425 -27.557 1.00 2.13 H new ATOM 0 HB3 LEU A 92 1.724 -20.173 -27.483 1.00 2.13 H new ATOM 0 HG LEU A 92 2.913 -18.206 -25.512 1.00 52.15 H new ATOM 0 HD11 LEU A 92 1.335 -19.254 -23.938 1.00 65.23 H new ATOM 0 HD12 LEU A 92 0.494 -18.502 -25.314 1.00 65.23 H new ATOM 0 HD13 LEU A 92 0.701 -20.268 -25.255 1.00 65.23 H new ATOM 0 HD21 LEU A 92 3.600 -20.187 -24.217 1.00 14.52 H new ATOM 0 HD22 LEU A 92 3.057 -21.238 -25.546 1.00 14.52 H new ATOM 0 HD23 LEU A 92 4.415 -20.116 -25.797 1.00 14.52 H new ATOM 1415 N PHE A 93 2.157 -19.600 -30.084 1.00 41.13 N ATOM 1416 CA PHE A 93 1.708 -19.392 -31.456 1.00 32.12 C ATOM 1417 C PHE A 93 2.808 -19.755 -32.450 1.00 54.43 C ATOM 1418 O PHE A 93 2.825 -19.264 -33.577 1.00 4.14 O ATOM 1419 CB PHE A 93 1.279 -17.938 -31.660 1.00 51.15 C ATOM 1420 CG PHE A 93 0.461 -17.722 -32.902 1.00 54.02 C ATOM 1421 CD1 PHE A 93 -0.824 -18.229 -32.996 1.00 32.42 C ATOM 1422 CD2 PHE A 93 0.978 -17.013 -33.974 1.00 12.44 C ATOM 1423 CE1 PHE A 93 -1.580 -18.033 -34.137 1.00 74.13 C ATOM 1424 CE2 PHE A 93 0.228 -16.813 -35.116 1.00 72.11 C ATOM 1425 CZ PHE A 93 -1.053 -17.324 -35.198 1.00 62.21 C ATOM 0 H PHE A 93 1.635 -20.312 -29.572 1.00 41.13 H new ATOM 0 HA PHE A 93 0.853 -20.044 -31.634 1.00 32.12 H new ATOM 0 HB2 PHE A 93 0.703 -17.613 -30.794 1.00 51.15 H new ATOM 0 HB3 PHE A 93 2.168 -17.309 -31.706 1.00 51.15 H new ATOM 0 HD1 PHE A 93 -1.241 -18.784 -32.168 1.00 32.42 H new ATOM 0 HD2 PHE A 93 1.979 -16.612 -33.916 1.00 12.44 H new ATOM 0 HE1 PHE A 93 -2.581 -18.434 -34.198 1.00 74.13 H new ATOM 0 HE2 PHE A 93 0.642 -16.258 -35.944 1.00 72.11 H new ATOM 0 HZ PHE A 93 -1.641 -17.169 -36.091 1.00 62.21 H new ATOM 1435 N ASN A 94 3.724 -20.616 -32.019 1.00 23.21 N ATOM 1436 CA ASN A 94 4.829 -21.044 -32.870 1.00 31.21 C ATOM 1437 C ASN A 94 5.805 -19.897 -33.112 1.00 72.33 C ATOM 1438 O ASN A 94 6.885 -19.853 -32.525 1.00 5.33 O ATOM 1439 CB ASN A 94 4.298 -21.567 -34.206 1.00 22.51 C ATOM 1440 CG ASN A 94 4.561 -23.049 -34.393 1.00 31.14 C ATOM 1441 OD1 ASN A 94 5.144 -23.467 -35.393 1.00 43.03 O ATOM 1442 ND2 ASN A 94 4.130 -23.852 -33.426 1.00 70.42 N ATOM 0 H ASN A 94 3.723 -21.031 -31.087 1.00 23.21 H new ATOM 0 HA ASN A 94 5.359 -21.847 -32.358 1.00 31.21 H new ATOM 0 HB2 ASN A 94 3.226 -21.381 -34.265 1.00 22.51 H new ATOM 0 HB3 ASN A 94 4.763 -21.013 -35.021 1.00 22.51 H new ATOM 0 HD21 ASN A 94 4.278 -24.859 -33.495 1.00 70.42 H new ATOM 0 HD22 ASN A 94 3.651 -23.462 -32.614 1.00 70.42 H new ATOM 1449 N ALA A 95 5.416 -18.969 -33.981 1.00 34.31 N ATOM 1450 CA ALA A 95 6.254 -17.820 -34.298 1.00 42.52 C ATOM 1451 C ALA A 95 6.695 -17.094 -33.031 1.00 34.52 C ATOM 1452 O ALA A 95 5.892 -16.429 -32.376 1.00 74.20 O ATOM 1453 CB ALA A 95 5.515 -16.867 -35.225 1.00 42.14 C ATOM 0 H ALA A 95 4.525 -18.991 -34.478 1.00 34.31 H new ATOM 0 HA ALA A 95 7.147 -18.183 -34.806 1.00 42.52 H new ATOM 0 HB1 ALA A 95 6.153 -16.013 -35.453 1.00 42.14 H new ATOM 0 HB2 ALA A 95 5.257 -17.385 -36.149 1.00 42.14 H new ATOM 0 HB3 ALA A 95 4.604 -16.519 -34.738 1.00 42.14 H new ATOM 1459 N GLU A 96 7.973 -17.227 -32.692 1.00 35.22 N ATOM 1460 CA GLU A 96 8.517 -16.585 -31.501 1.00 64.43 C ATOM 1461 C GLU A 96 8.380 -15.067 -31.591 1.00 34.41 C ATOM 1462 O GLU A 96 8.368 -14.496 -32.683 1.00 14.02 O ATOM 1463 CB GLU A 96 9.988 -16.964 -31.318 1.00 41.52 C ATOM 1464 CG GLU A 96 10.859 -16.623 -32.516 1.00 44.21 C ATOM 1465 CD GLU A 96 12.077 -15.803 -32.137 1.00 45.53 C ATOM 1466 OE1 GLU A 96 11.941 -14.891 -31.294 1.00 31.23 O ATOM 1467 OE2 GLU A 96 13.167 -16.073 -32.684 1.00 40.03 O ATOM 0 H GLU A 96 8.651 -17.773 -33.224 1.00 35.22 H new ATOM 0 HA GLU A 96 7.948 -16.934 -30.639 1.00 64.43 H new ATOM 0 HB2 GLU A 96 10.379 -16.453 -30.438 1.00 41.52 H new ATOM 0 HB3 GLU A 96 10.057 -18.034 -31.122 1.00 41.52 H new ATOM 0 HG2 GLU A 96 11.182 -17.545 -33.000 1.00 44.21 H new ATOM 0 HG3 GLU A 96 10.267 -16.071 -33.246 1.00 44.21 H new ATOM 1474 N CYS A 97 8.273 -14.419 -30.436 1.00 20.22 N ATOM 1475 CA CYS A 97 8.135 -12.970 -30.381 1.00 71.12 C ATOM 1476 C CYS A 97 9.427 -12.317 -29.898 1.00 43.21 C ATOM 1477 O CYS A 97 10.227 -12.943 -29.202 1.00 62.42 O ATOM 1478 CB CYS A 97 6.978 -12.581 -29.458 1.00 23.24 C ATOM 1479 SG CYS A 97 5.351 -12.556 -30.276 1.00 73.22 S ATOM 0 H CYS A 97 8.279 -14.876 -29.524 1.00 20.22 H new ATOM 0 HA CYS A 97 7.923 -12.613 -31.389 1.00 71.12 H new ATOM 0 HB2 CYS A 97 6.942 -13.281 -28.623 1.00 23.24 H new ATOM 0 HB3 CYS A 97 7.177 -11.595 -29.039 1.00 23.24 H new ATOM 1485 N GLN A 98 9.622 -11.056 -30.271 1.00 3.25 N ATOM 1486 CA GLN A 98 10.817 -10.320 -29.877 1.00 15.55 C ATOM 1487 C GLN A 98 10.886 -10.168 -28.360 1.00 53.23 C ATOM 1488 O GLN A 98 9.976 -9.617 -27.738 1.00 62.42 O ATOM 1489 CB GLN A 98 10.836 -8.942 -30.541 1.00 14.44 C ATOM 1490 CG GLN A 98 10.567 -8.985 -32.036 1.00 2.41 C ATOM 1491 CD GLN A 98 11.278 -10.133 -32.724 1.00 25.54 C ATOM 1492 OE1 GLN A 98 10.642 -11.046 -33.252 1.00 52.31 O ATOM 1493 NE2 GLN A 98 12.605 -10.093 -32.724 1.00 5.35 N ATOM 0 H GLN A 98 8.968 -10.523 -30.845 1.00 3.25 H new ATOM 0 HA GLN A 98 11.688 -10.886 -30.208 1.00 15.55 H new ATOM 0 HB2 GLN A 98 10.089 -8.307 -30.064 1.00 14.44 H new ATOM 0 HB3 GLN A 98 11.807 -8.478 -30.368 1.00 14.44 H new ATOM 0 HG2 GLN A 98 9.494 -9.073 -32.206 1.00 2.41 H new ATOM 0 HG3 GLN A 98 10.885 -8.044 -32.486 1.00 2.41 H new ATOM 0 HE21 GLN A 98 13.092 -9.317 -32.275 1.00 5.35 H new ATOM 0 HE22 GLN A 98 13.138 -10.838 -33.173 1.00 5.35 H new ATOM 1502 N THR A 99 11.971 -10.658 -27.770 1.00 54.54 N ATOM 1503 CA THR A 99 12.158 -10.578 -26.326 1.00 64.13 C ATOM 1504 C THR A 99 12.221 -9.127 -25.860 1.00 72.42 C ATOM 1505 O THR A 99 12.106 -8.842 -24.667 1.00 12.23 O ATOM 1506 CB THR A 99 13.444 -11.302 -25.885 1.00 52.15 C ATOM 1507 OG1 THR A 99 13.633 -11.149 -24.474 1.00 51.11 O ATOM 1508 CG2 THR A 99 14.655 -10.756 -26.626 1.00 52.25 C ATOM 0 H THR A 99 12.734 -11.115 -28.269 1.00 54.54 H new ATOM 0 HA THR A 99 11.299 -11.068 -25.868 1.00 64.13 H new ATOM 0 HB THR A 99 13.339 -12.360 -26.125 1.00 52.15 H new ATOM 0 HG1 THR A 99 13.188 -10.330 -24.171 1.00 51.11 H new ATOM 0 HG21 THR A 99 15.551 -11.283 -26.297 1.00 52.25 H new ATOM 0 HG22 THR A 99 14.521 -10.901 -27.698 1.00 52.25 H new ATOM 0 HG23 THR A 99 14.762 -9.692 -26.414 1.00 52.25 H new ATOM 1516 N THR A 100 12.401 -8.212 -26.808 1.00 31.42 N ATOM 1517 CA THR A 100 12.478 -6.792 -26.494 1.00 60.35 C ATOM 1518 C THR A 100 11.566 -5.977 -27.404 1.00 42.12 C ATOM 1519 O THR A 100 11.465 -6.249 -28.600 1.00 64.42 O ATOM 1520 CB THR A 100 13.920 -6.265 -26.626 1.00 74.35 C ATOM 1521 OG1 THR A 100 14.836 -7.362 -26.710 1.00 25.42 O ATOM 1522 CG2 THR A 100 14.284 -5.384 -25.440 1.00 62.31 C ATOM 0 H THR A 100 12.496 -8.430 -27.800 1.00 31.42 H new ATOM 0 HA THR A 100 12.150 -6.679 -25.461 1.00 60.35 H new ATOM 0 HB THR A 100 13.984 -5.668 -27.536 1.00 74.35 H new ATOM 0 HG1 THR A 100 15.750 -7.019 -26.795 1.00 25.42 H new ATOM 0 HG21 THR A 100 15.306 -5.023 -25.555 1.00 62.31 H new ATOM 0 HG22 THR A 100 13.602 -4.535 -25.395 1.00 62.31 H new ATOM 0 HG23 THR A 100 14.204 -5.962 -24.519 1.00 62.31 H new ATOM 1530 N ILE A 101 10.905 -4.978 -26.830 1.00 72.33 N ATOM 1531 CA ILE A 101 10.003 -4.123 -27.592 1.00 51.33 C ATOM 1532 C ILE A 101 10.510 -2.685 -27.632 1.00 3.45 C ATOM 1533 O ILE A 101 11.012 -2.164 -26.635 1.00 1.11 O ATOM 1534 CB ILE A 101 8.581 -4.136 -27.001 1.00 34.35 C ATOM 1535 CG1 ILE A 101 8.519 -5.063 -25.785 1.00 32.35 C ATOM 1536 CG2 ILE A 101 7.574 -4.569 -28.055 1.00 74.22 C ATOM 1537 CD1 ILE A 101 7.164 -5.092 -25.115 1.00 55.34 C ATOM 0 H ILE A 101 10.977 -4.741 -25.841 1.00 72.33 H new ATOM 0 HA ILE A 101 9.971 -4.523 -28.605 1.00 51.33 H new ATOM 0 HB ILE A 101 8.328 -3.126 -26.678 1.00 34.35 H new ATOM 0 HG12 ILE A 101 8.783 -6.074 -26.095 1.00 32.35 H new ATOM 0 HG13 ILE A 101 9.268 -4.746 -25.059 1.00 32.35 H new ATOM 0 HG21 ILE A 101 6.574 -4.573 -27.622 1.00 74.22 H new ATOM 0 HG22 ILE A 101 7.604 -3.874 -28.894 1.00 74.22 H new ATOM 0 HG23 ILE A 101 7.822 -5.571 -28.405 1.00 74.22 H new ATOM 0 HD11 ILE A 101 7.194 -5.770 -24.262 1.00 55.34 H new ATOM 0 HD12 ILE A 101 6.905 -4.090 -24.773 1.00 55.34 H new ATOM 0 HD13 ILE A 101 6.414 -5.438 -25.826 1.00 55.34 H new ATOM 1549 N LYS A 102 10.376 -2.048 -28.789 1.00 61.14 N ATOM 1550 CA LYS A 102 10.817 -0.668 -28.960 1.00 21.22 C ATOM 1551 C LYS A 102 9.649 0.233 -29.347 1.00 51.11 C ATOM 1552 O LYS A 102 9.345 0.399 -30.529 1.00 13.43 O ATOM 1553 CB LYS A 102 11.911 -0.590 -30.027 1.00 60.23 C ATOM 1554 CG LYS A 102 13.270 -1.063 -29.542 1.00 53.11 C ATOM 1555 CD LYS A 102 14.179 0.106 -29.202 1.00 12.54 C ATOM 1556 CE LYS A 102 15.343 0.208 -30.174 1.00 65.11 C ATOM 1557 NZ LYS A 102 16.114 1.469 -29.987 1.00 64.32 N ATOM 0 H LYS A 102 9.965 -2.465 -29.624 1.00 61.14 H new ATOM 0 HA LYS A 102 11.220 -0.321 -28.009 1.00 21.22 H new ATOM 0 HB2 LYS A 102 11.612 -1.191 -30.886 1.00 60.23 H new ATOM 0 HB3 LYS A 102 11.997 0.440 -30.373 1.00 60.23 H new ATOM 0 HG2 LYS A 102 13.144 -1.695 -28.663 1.00 53.11 H new ATOM 0 HG3 LYS A 102 13.738 -1.677 -30.311 1.00 53.11 H new ATOM 0 HD2 LYS A 102 13.605 1.032 -29.222 1.00 12.54 H new ATOM 0 HD3 LYS A 102 14.560 -0.011 -28.188 1.00 12.54 H new ATOM 0 HE2 LYS A 102 16.006 -0.646 -30.038 1.00 65.11 H new ATOM 0 HE3 LYS A 102 14.968 0.160 -31.196 1.00 65.11 H new ATOM 0 HZ1 LYS A 102 16.899 1.500 -30.669 1.00 64.32 H new ATOM 0 HZ2 LYS A 102 15.488 2.285 -30.142 1.00 64.32 H new ATOM 0 HZ3 LYS A 102 16.494 1.503 -29.020 1.00 64.32 H new ATOM 1571 N VAL A 103 8.999 0.814 -28.344 1.00 50.11 N ATOM 1572 CA VAL A 103 7.866 1.701 -28.579 1.00 44.33 C ATOM 1573 C VAL A 103 8.232 3.151 -28.284 1.00 51.31 C ATOM 1574 O VAL A 103 9.215 3.427 -27.596 1.00 15.05 O ATOM 1575 CB VAL A 103 6.653 1.304 -27.717 1.00 63.22 C ATOM 1576 CG1 VAL A 103 5.938 0.104 -28.321 1.00 41.43 C ATOM 1577 CG2 VAL A 103 7.088 1.013 -26.289 1.00 1.33 C ATOM 0 H VAL A 103 9.238 0.686 -27.361 1.00 50.11 H new ATOM 0 HA VAL A 103 7.602 1.603 -29.632 1.00 44.33 H new ATOM 0 HB VAL A 103 5.954 2.140 -27.697 1.00 63.22 H new ATOM 0 HG11 VAL A 103 5.084 -0.162 -27.698 1.00 41.43 H new ATOM 0 HG12 VAL A 103 5.592 0.354 -29.324 1.00 41.43 H new ATOM 0 HG13 VAL A 103 6.625 -0.740 -28.374 1.00 41.43 H new ATOM 0 HG21 VAL A 103 6.219 0.734 -25.694 1.00 1.33 H new ATOM 0 HG22 VAL A 103 7.807 0.194 -26.287 1.00 1.33 H new ATOM 0 HG23 VAL A 103 7.551 1.902 -25.861 1.00 1.33 H new ATOM 1587 N SER A 104 7.436 4.077 -28.810 1.00 21.32 N ATOM 1588 CA SER A 104 7.678 5.500 -28.605 1.00 71.40 C ATOM 1589 C SER A 104 6.362 6.269 -28.526 1.00 1.35 C ATOM 1590 O SER A 104 5.311 5.766 -28.921 1.00 65.53 O ATOM 1591 CB SER A 104 8.540 6.060 -29.738 1.00 4.22 C ATOM 1592 OG SER A 104 9.222 5.022 -30.421 1.00 30.20 O ATOM 0 H SER A 104 6.618 3.867 -29.381 1.00 21.32 H new ATOM 0 HA SER A 104 8.208 5.621 -27.660 1.00 71.40 H new ATOM 0 HB2 SER A 104 7.912 6.610 -30.439 1.00 4.22 H new ATOM 0 HB3 SER A 104 9.262 6.769 -29.333 1.00 4.22 H new ATOM 0 HG SER A 104 9.765 5.406 -31.141 1.00 30.20 H new ATOM 1598 N LYS A 105 6.430 7.491 -28.010 1.00 72.43 N ATOM 1599 CA LYS A 105 5.246 8.333 -27.878 1.00 64.01 C ATOM 1600 C LYS A 105 5.612 9.809 -27.992 1.00 41.43 C ATOM 1601 O LYS A 105 6.428 10.331 -27.233 1.00 1.50 O ATOM 1602 CB LYS A 105 4.555 8.070 -26.538 1.00 2.24 C ATOM 1603 CG LYS A 105 3.165 7.473 -26.677 1.00 43.34 C ATOM 1604 CD LYS A 105 3.191 5.961 -26.537 1.00 24.12 C ATOM 1605 CE LYS A 105 2.087 5.467 -25.614 1.00 61.04 C ATOM 1606 NZ LYS A 105 0.744 5.582 -26.246 1.00 53.32 N ATOM 0 H LYS A 105 7.292 7.921 -27.676 1.00 72.43 H new ATOM 0 HA LYS A 105 4.561 8.083 -28.688 1.00 64.01 H new ATOM 0 HB2 LYS A 105 5.174 7.395 -25.946 1.00 2.24 H new ATOM 0 HB3 LYS A 105 4.485 9.007 -25.985 1.00 2.24 H new ATOM 0 HG2 LYS A 105 2.508 7.898 -25.918 1.00 43.34 H new ATOM 0 HG3 LYS A 105 2.748 7.742 -27.647 1.00 43.34 H new ATOM 0 HD2 LYS A 105 3.078 5.502 -27.519 1.00 24.12 H new ATOM 0 HD3 LYS A 105 4.160 5.647 -26.148 1.00 24.12 H new ATOM 0 HE2 LYS A 105 2.275 4.427 -25.347 1.00 61.04 H new ATOM 0 HE3 LYS A 105 2.103 6.042 -24.688 1.00 61.04 H new ATOM 0 HZ1 LYS A 105 0.019 5.236 -25.586 1.00 53.32 H new ATOM 0 HZ2 LYS A 105 0.554 6.578 -26.478 1.00 53.32 H new ATOM 0 HZ3 LYS A 105 0.720 5.013 -27.116 1.00 53.32 H new ATOM 1620 N PRO A 106 4.995 10.500 -28.962 1.00 35.11 N ATOM 1621 CA PRO A 106 5.239 11.925 -29.197 1.00 44.31 C ATOM 1622 C PRO A 106 4.678 12.801 -28.082 1.00 73.25 C ATOM 1623 O PRO A 106 3.487 13.111 -28.062 1.00 74.21 O ATOM 1624 CB PRO A 106 4.505 12.199 -30.512 1.00 42.33 C ATOM 1625 CG PRO A 106 3.440 11.160 -30.575 1.00 54.00 C ATOM 1626 CD PRO A 106 4.011 9.942 -29.904 1.00 34.32 C ATOM 0 HA PRO A 106 6.304 12.155 -29.231 1.00 44.31 H new ATOM 0 HB2 PRO A 106 4.080 13.203 -30.527 1.00 42.33 H new ATOM 0 HB3 PRO A 106 5.180 12.126 -31.365 1.00 42.33 H new ATOM 0 HG2 PRO A 106 2.536 11.497 -30.068 1.00 54.00 H new ATOM 0 HG3 PRO A 106 3.166 10.944 -31.608 1.00 54.00 H new ATOM 0 HD2 PRO A 106 3.240 9.370 -29.388 1.00 34.32 H new ATOM 0 HD3 PRO A 106 4.479 9.270 -30.623 1.00 34.32 H new ATOM 1634 N CYS A 107 5.544 13.198 -27.155 1.00 55.44 N ATOM 1635 CA CYS A 107 5.134 14.038 -26.035 1.00 4.30 C ATOM 1636 C CYS A 107 6.083 15.222 -25.869 1.00 63.13 C ATOM 1637 O CYS A 107 7.282 15.114 -26.131 1.00 20.22 O ATOM 1638 CB CYS A 107 5.094 13.218 -24.744 1.00 51.35 C ATOM 1639 SG CYS A 107 6.541 12.140 -24.502 1.00 51.40 S ATOM 0 H CYS A 107 6.534 12.952 -27.157 1.00 55.44 H new ATOM 0 HA CYS A 107 4.135 14.421 -26.246 1.00 4.30 H new ATOM 0 HB2 CYS A 107 5.016 13.899 -23.896 1.00 51.35 H new ATOM 0 HB3 CYS A 107 4.193 12.604 -24.744 1.00 51.35 H new ATOM 1645 N THR A 108 5.538 16.353 -25.433 1.00 53.53 N ATOM 1646 CA THR A 108 6.333 17.557 -25.232 1.00 4.42 C ATOM 1647 C THR A 108 7.134 17.479 -23.937 1.00 75.40 C ATOM 1648 O THR A 108 6.704 16.883 -22.948 1.00 23.21 O ATOM 1649 CB THR A 108 5.448 18.817 -25.199 1.00 55.25 C ATOM 1650 OG1 THR A 108 4.586 18.781 -24.055 1.00 24.31 O ATOM 1651 CG2 THR A 108 4.612 18.925 -26.465 1.00 32.33 C ATOM 0 H THR A 108 4.548 16.460 -25.212 1.00 53.53 H new ATOM 0 HA THR A 108 7.019 17.626 -26.076 1.00 4.42 H new ATOM 0 HB THR A 108 6.099 19.689 -25.136 1.00 55.25 H new ATOM 0 HG1 THR A 108 4.028 19.586 -24.040 1.00 24.31 H new ATOM 0 HG21 THR A 108 3.995 19.823 -26.418 1.00 32.33 H new ATOM 0 HG22 THR A 108 5.270 18.982 -27.332 1.00 32.33 H new ATOM 0 HG23 THR A 108 3.970 18.048 -26.553 1.00 32.33 H new ATOM 1659 N PRO A 109 8.326 18.094 -23.938 1.00 63.41 N ATOM 1660 CA PRO A 109 9.210 18.108 -22.770 1.00 43.55 C ATOM 1661 C PRO A 109 8.659 18.966 -21.635 1.00 3.13 C ATOM 1662 O PRO A 109 7.630 19.625 -21.785 1.00 71.12 O ATOM 1663 CB PRO A 109 10.507 18.712 -23.314 1.00 25.03 C ATOM 1664 CG PRO A 109 10.081 19.535 -24.481 1.00 1.32 C ATOM 1665 CD PRO A 109 8.901 18.824 -25.081 1.00 52.01 C ATOM 0 HA PRO A 109 9.333 17.114 -22.341 1.00 43.55 H new ATOM 0 HB2 PRO A 109 11.006 19.322 -22.561 1.00 25.03 H new ATOM 0 HB3 PRO A 109 11.211 17.935 -23.613 1.00 25.03 H new ATOM 0 HG2 PRO A 109 9.811 20.544 -24.169 1.00 1.32 H new ATOM 0 HG3 PRO A 109 10.889 19.631 -25.206 1.00 1.32 H new ATOM 0 HD2 PRO A 109 8.186 19.525 -25.511 1.00 52.01 H new ATOM 0 HD3 PRO A 109 9.203 18.147 -25.880 1.00 52.01 H new ATOM 1673 N LYS A 110 9.351 18.954 -20.501 1.00 55.02 N ATOM 1674 CA LYS A 110 8.932 19.732 -19.341 1.00 32.01 C ATOM 1675 C LYS A 110 9.904 20.876 -19.073 1.00 1.21 C ATOM 1676 O LYS A 110 11.072 20.816 -19.460 1.00 11.42 O ATOM 1677 CB LYS A 110 8.834 18.832 -18.107 1.00 53.25 C ATOM 1678 CG LYS A 110 7.426 18.722 -17.545 1.00 5.51 C ATOM 1679 CD LYS A 110 7.442 18.339 -16.075 1.00 32.31 C ATOM 1680 CE LYS A 110 6.036 18.305 -15.493 1.00 21.12 C ATOM 1681 NZ LYS A 110 5.926 17.342 -14.363 1.00 1.24 N ATOM 0 H LYS A 110 10.205 18.414 -20.360 1.00 55.02 H new ATOM 0 HA LYS A 110 7.950 20.156 -19.554 1.00 32.01 H new ATOM 0 HB2 LYS A 110 9.192 17.835 -18.365 1.00 53.25 H new ATOM 0 HB3 LYS A 110 9.496 19.218 -17.332 1.00 53.25 H new ATOM 0 HG2 LYS A 110 6.908 19.673 -17.669 1.00 5.51 H new ATOM 0 HG3 LYS A 110 6.865 17.978 -18.110 1.00 5.51 H new ATOM 0 HD2 LYS A 110 7.909 17.361 -15.958 1.00 32.31 H new ATOM 0 HD3 LYS A 110 8.050 19.052 -15.519 1.00 32.31 H new ATOM 0 HE2 LYS A 110 5.762 19.302 -15.148 1.00 21.12 H new ATOM 0 HE3 LYS A 110 5.326 18.031 -16.274 1.00 21.12 H new ATOM 0 HZ1 LYS A 110 4.953 17.349 -13.995 1.00 1.24 H new ATOM 0 HZ2 LYS A 110 6.163 16.386 -14.697 1.00 1.24 H new ATOM 0 HZ3 LYS A 110 6.585 17.618 -13.607 1.00 1.24 H new ATOM 1695 N THR A 111 9.417 21.918 -18.407 1.00 64.14 N ATOM 1696 CA THR A 111 10.242 23.076 -18.087 1.00 43.10 C ATOM 1697 C THR A 111 10.343 23.280 -16.581 1.00 12.35 C ATOM 1698 O THR A 111 9.787 24.223 -16.018 1.00 10.12 O ATOM 1699 CB THR A 111 9.685 24.359 -18.731 1.00 74.43 C ATOM 1700 OG1 THR A 111 8.354 24.603 -18.263 1.00 50.04 O ATOM 1701 CG2 THR A 111 9.681 24.246 -20.249 1.00 53.45 C ATOM 0 H THR A 111 8.454 21.984 -18.078 1.00 64.14 H new ATOM 0 HA THR A 111 11.235 22.877 -18.491 1.00 43.10 H new ATOM 0 HB THR A 111 10.329 25.191 -18.446 1.00 74.43 H new ATOM 0 HG1 THR A 111 8.372 24.769 -17.297 1.00 50.04 H new ATOM 0 HG21 THR A 111 9.283 25.164 -20.681 1.00 53.45 H new ATOM 0 HG22 THR A 111 10.699 24.089 -20.605 1.00 53.45 H new ATOM 0 HG23 THR A 111 9.058 23.404 -20.550 1.00 53.45 H new ATOM 1709 N PRO A 112 11.071 22.375 -15.907 1.00 25.00 N ATOM 1710 CA PRO A 112 11.263 22.435 -14.456 1.00 4.40 C ATOM 1711 C PRO A 112 12.148 23.604 -14.036 1.00 42.34 C ATOM 1712 O PRO A 112 12.559 24.415 -14.867 1.00 55.34 O ATOM 1713 CB PRO A 112 11.947 21.104 -14.133 1.00 51.21 C ATOM 1714 CG PRO A 112 12.632 20.714 -15.397 1.00 72.33 C ATOM 1715 CD PRO A 112 11.763 21.224 -16.513 1.00 63.32 C ATOM 0 HA PRO A 112 10.322 22.586 -13.927 1.00 4.40 H new ATOM 0 HB2 PRO A 112 12.658 21.213 -13.314 1.00 51.21 H new ATOM 0 HB3 PRO A 112 11.222 20.350 -13.827 1.00 51.21 H new ATOM 0 HG2 PRO A 112 13.630 21.148 -15.450 1.00 72.33 H new ATOM 0 HG3 PRO A 112 12.751 19.632 -15.458 1.00 72.33 H new ATOM 0 HD2 PRO A 112 12.354 21.521 -17.379 1.00 63.32 H new ATOM 0 HD3 PRO A 112 11.059 20.465 -16.853 1.00 63.32 H new ATOM 1723 N LYS A 113 12.440 23.685 -12.742 1.00 70.43 N ATOM 1724 CA LYS A 113 13.278 24.753 -12.212 1.00 52.43 C ATOM 1725 C LYS A 113 12.657 26.119 -12.487 1.00 40.40 C ATOM 1726 O LYS A 113 13.118 26.877 -13.341 1.00 23.32 O ATOM 1727 CB LYS A 113 14.678 24.685 -12.826 1.00 70.12 C ATOM 1728 CG LYS A 113 15.345 23.330 -12.667 1.00 22.41 C ATOM 1729 CD LYS A 113 16.528 23.398 -11.717 1.00 75.14 C ATOM 1730 CE LYS A 113 16.737 22.077 -10.992 1.00 74.12 C ATOM 1731 NZ LYS A 113 15.688 21.838 -9.962 1.00 12.25 N ATOM 0 H LYS A 113 12.108 23.023 -12.041 1.00 70.43 H new ATOM 0 HA LYS A 113 13.355 24.618 -11.133 1.00 52.43 H new ATOM 0 HB2 LYS A 113 14.613 24.927 -13.887 1.00 70.12 H new ATOM 0 HB3 LYS A 113 15.306 25.447 -12.364 1.00 70.12 H new ATOM 0 HG2 LYS A 113 14.619 22.608 -12.294 1.00 22.41 H new ATOM 0 HG3 LYS A 113 15.679 22.972 -13.641 1.00 22.41 H new ATOM 0 HD2 LYS A 113 17.429 23.655 -12.274 1.00 75.14 H new ATOM 0 HD3 LYS A 113 16.366 24.192 -10.989 1.00 75.14 H new ATOM 0 HE2 LYS A 113 16.729 21.261 -11.715 1.00 74.12 H new ATOM 0 HE3 LYS A 113 17.719 22.074 -10.518 1.00 74.12 H new ATOM 0 HZ1 LYS A 113 16.009 21.099 -9.305 1.00 12.25 H new ATOM 0 HZ2 LYS A 113 15.512 22.717 -9.435 1.00 12.25 H new ATOM 0 HZ3 LYS A 113 14.809 21.531 -10.426 1.00 12.25 H new ATOM 1745 N PRO A 114 11.587 26.444 -11.746 1.00 63.32 N ATOM 1746 CA PRO A 114 10.881 27.721 -11.892 1.00 40.30 C ATOM 1747 C PRO A 114 11.708 28.900 -11.391 1.00 51.30 C ATOM 1748 O PRO A 114 12.879 28.748 -11.041 1.00 24.42 O ATOM 1749 CB PRO A 114 9.632 27.537 -11.026 1.00 62.01 C ATOM 1750 CG PRO A 114 10.020 26.512 -10.016 1.00 53.24 C ATOM 1751 CD PRO A 114 10.983 25.590 -10.710 1.00 43.02 C ATOM 0 HA PRO A 114 10.663 27.950 -12.935 1.00 40.30 H new ATOM 0 HB2 PRO A 114 9.340 28.472 -10.549 1.00 62.01 H new ATOM 0 HB3 PRO A 114 8.782 27.204 -11.622 1.00 62.01 H new ATOM 0 HG2 PRO A 114 10.484 26.977 -9.146 1.00 53.24 H new ATOM 0 HG3 PRO A 114 9.147 25.967 -9.658 1.00 53.24 H new ATOM 0 HD2 PRO A 114 11.734 25.201 -10.022 1.00 43.02 H new ATOM 0 HD3 PRO A 114 10.473 24.730 -11.145 1.00 43.02 H new ATOM 1759 N LYS A 115 11.092 30.076 -11.356 1.00 43.14 N ATOM 1760 CA LYS A 115 11.770 31.283 -10.896 1.00 34.23 C ATOM 1761 C LYS A 115 11.035 31.901 -9.710 1.00 13.22 C ATOM 1762 O LYS A 115 9.865 31.606 -9.470 1.00 63.24 O ATOM 1763 CB LYS A 115 11.871 32.302 -12.033 1.00 64.32 C ATOM 1764 CG LYS A 115 12.964 33.335 -11.828 1.00 64.21 C ATOM 1765 CD LYS A 115 13.352 34.003 -13.137 1.00 2.21 C ATOM 1766 CE LYS A 115 14.863 34.044 -13.315 1.00 64.23 C ATOM 1767 NZ LYS A 115 15.359 32.886 -14.109 1.00 11.11 N ATOM 0 H LYS A 115 10.123 30.220 -11.641 1.00 43.14 H new ATOM 0 HA LYS A 115 12.774 31.005 -10.575 1.00 34.23 H new ATOM 0 HB2 LYS A 115 12.053 31.773 -12.968 1.00 64.32 H new ATOM 0 HB3 LYS A 115 10.914 32.814 -12.137 1.00 64.32 H new ATOM 0 HG2 LYS A 115 12.624 34.090 -11.120 1.00 64.21 H new ATOM 0 HG3 LYS A 115 13.840 32.857 -11.389 1.00 64.21 H new ATOM 0 HD2 LYS A 115 12.901 33.464 -13.970 1.00 2.21 H new ATOM 0 HD3 LYS A 115 12.954 35.017 -13.161 1.00 2.21 H new ATOM 0 HE2 LYS A 115 15.145 34.972 -13.811 1.00 64.23 H new ATOM 0 HE3 LYS A 115 15.344 34.047 -12.337 1.00 64.23 H new ATOM 0 HZ1 LYS A 115 16.392 32.950 -14.208 1.00 11.11 H new ATOM 0 HZ2 LYS A 115 15.112 32.000 -13.623 1.00 11.11 H new ATOM 0 HZ3 LYS A 115 14.920 32.898 -15.052 1.00 11.11 H new ATOM 1781 N GLY A 116 11.731 32.759 -8.971 1.00 51.30 N ATOM 1782 CA GLY A 116 11.129 33.406 -7.819 1.00 30.41 C ATOM 1783 C GLY A 116 12.086 34.346 -7.115 1.00 64.24 C ATOM 1784 O GLY A 116 12.961 34.938 -7.745 1.00 4.42 O ATOM 0 H GLY A 116 12.701 33.018 -9.149 1.00 51.30 H new ATOM 0 HA2 GLY A 116 10.248 33.962 -8.138 1.00 30.41 H new ATOM 0 HA3 GLY A 116 10.789 32.646 -7.116 1.00 30.41 H new ATOM 1788 N GLY A 117 11.918 34.488 -5.805 1.00 14.50 N ATOM 1789 CA GLY A 117 12.780 35.367 -5.036 1.00 74.10 C ATOM 1790 C GLY A 117 12.090 36.657 -4.641 1.00 64.55 C ATOM 1791 O GLY A 117 12.688 37.731 -4.699 1.00 12.25 O ATOM 0 H GLY A 117 11.200 34.010 -5.261 1.00 14.50 H new ATOM 0 HA2 GLY A 117 13.114 34.848 -4.138 1.00 74.10 H new ATOM 0 HA3 GLY A 117 13.671 35.599 -5.620 1.00 74.10 H new ATOM 1795 N GLU A 118 10.825 36.552 -4.243 1.00 11.25 N ATOM 1796 CA GLU A 118 10.053 37.721 -3.840 1.00 53.54 C ATOM 1797 C GLU A 118 10.722 38.439 -2.671 1.00 41.13 C ATOM 1798 O GLU A 118 11.528 37.854 -1.947 1.00 52.21 O ATOM 1799 CB GLU A 118 8.630 37.312 -3.455 1.00 12.12 C ATOM 1800 CG GLU A 118 7.566 37.845 -4.398 1.00 41.11 C ATOM 1801 CD GLU A 118 6.268 38.176 -3.687 1.00 62.10 C ATOM 1802 OE1 GLU A 118 6.046 37.646 -2.579 1.00 43.54 O ATOM 1803 OE2 GLU A 118 5.474 38.965 -4.242 1.00 55.13 O ATOM 0 H GLU A 118 10.315 35.670 -4.191 1.00 11.25 H new ATOM 0 HA GLU A 118 10.010 38.406 -4.687 1.00 53.54 H new ATOM 0 HB2 GLU A 118 8.568 36.224 -3.429 1.00 12.12 H new ATOM 0 HB3 GLU A 118 8.420 37.667 -2.446 1.00 12.12 H new ATOM 0 HG2 GLU A 118 7.942 38.739 -4.895 1.00 41.11 H new ATOM 0 HG3 GLU A 118 7.372 37.106 -5.175 1.00 41.11 H new ATOM 1810 N LYS A 119 10.382 39.711 -2.494 1.00 51.55 N ATOM 1811 CA LYS A 119 10.947 40.511 -1.413 1.00 64.23 C ATOM 1812 C LYS A 119 10.058 40.460 -0.175 1.00 62.41 C ATOM 1813 O LYS A 119 8.865 40.167 -0.266 1.00 65.43 O ATOM 1814 CB LYS A 119 11.127 41.962 -1.865 1.00 64.42 C ATOM 1815 CG LYS A 119 9.841 42.612 -2.348 1.00 54.12 C ATOM 1816 CD LYS A 119 9.702 44.031 -1.821 1.00 11.43 C ATOM 1817 CE LYS A 119 8.790 44.088 -0.606 1.00 31.23 C ATOM 1818 NZ LYS A 119 8.229 45.451 -0.397 1.00 53.45 N ATOM 0 H LYS A 119 9.718 40.211 -3.085 1.00 51.55 H new ATOM 0 HA LYS A 119 11.920 40.093 -1.157 1.00 64.23 H new ATOM 0 HB2 LYS A 119 11.530 42.545 -1.037 1.00 64.42 H new ATOM 0 HB3 LYS A 119 11.865 41.995 -2.667 1.00 64.42 H new ATOM 0 HG2 LYS A 119 9.825 42.624 -3.438 1.00 54.12 H new ATOM 0 HG3 LYS A 119 8.987 42.017 -2.024 1.00 54.12 H new ATOM 0 HD2 LYS A 119 10.685 44.420 -1.557 1.00 11.43 H new ATOM 0 HD3 LYS A 119 9.304 44.674 -2.606 1.00 11.43 H new ATOM 0 HE2 LYS A 119 7.975 43.375 -0.730 1.00 31.23 H new ATOM 0 HE3 LYS A 119 9.347 43.785 0.281 1.00 31.23 H new ATOM 0 HZ1 LYS A 119 7.613 45.448 0.441 1.00 53.45 H new ATOM 0 HZ2 LYS A 119 9.006 46.128 -0.253 1.00 53.45 H new ATOM 0 HZ3 LYS A 119 7.676 45.731 -1.232 1.00 53.45 H new ATOM 1832 N LYS A 120 10.644 40.747 0.982 1.00 21.21 N ATOM 1833 CA LYS A 120 9.905 40.737 2.238 1.00 13.24 C ATOM 1834 C LYS A 120 9.896 42.122 2.876 1.00 33.03 C ATOM 1835 O LYS A 120 10.775 42.944 2.615 1.00 24.15 O ATOM 1836 CB LYS A 120 10.519 39.723 3.207 1.00 1.03 C ATOM 1837 CG LYS A 120 9.531 38.681 3.704 1.00 12.11 C ATOM 1838 CD LYS A 120 10.241 37.442 4.223 1.00 24.40 C ATOM 1839 CE LYS A 120 10.293 37.423 5.742 1.00 42.53 C ATOM 1840 NZ LYS A 120 9.489 36.307 6.310 1.00 15.33 N ATOM 0 H LYS A 120 11.630 40.990 1.076 1.00 21.21 H new ATOM 0 HA LYS A 120 8.876 40.449 2.022 1.00 13.24 H new ATOM 0 HB2 LYS A 120 11.349 39.218 2.713 1.00 1.03 H new ATOM 0 HB3 LYS A 120 10.934 40.256 4.063 1.00 1.03 H new ATOM 0 HG2 LYS A 120 8.918 39.109 4.497 1.00 12.11 H new ATOM 0 HG3 LYS A 120 8.856 38.403 2.894 1.00 12.11 H new ATOM 0 HD2 LYS A 120 9.727 36.550 3.865 1.00 24.40 H new ATOM 0 HD3 LYS A 120 11.254 37.408 3.823 1.00 24.40 H new ATOM 0 HE2 LYS A 120 11.328 37.328 6.069 1.00 42.53 H new ATOM 0 HE3 LYS A 120 9.922 38.372 6.130 1.00 42.53 H new ATOM 0 HZ1 LYS A 120 9.550 36.328 7.348 1.00 15.33 H new ATOM 0 HZ2 LYS A 120 8.496 36.412 6.019 1.00 15.33 H new ATOM 0 HZ3 LYS A 120 9.858 35.400 5.960 1.00 15.33 H new ATOM 1854 N LYS A 121 8.897 42.376 3.714 1.00 73.14 N ATOM 1855 CA LYS A 121 8.774 43.661 4.392 1.00 44.23 C ATOM 1856 C LYS A 121 8.768 43.480 5.906 1.00 1.23 C ATOM 1857 O LYS A 121 8.251 42.489 6.421 1.00 3.24 O ATOM 1858 CB LYS A 121 7.494 44.374 3.949 1.00 65.33 C ATOM 1859 CG LYS A 121 7.717 45.816 3.525 1.00 44.41 C ATOM 1860 CD LYS A 121 6.431 46.457 3.030 1.00 33.24 C ATOM 1861 CE LYS A 121 5.518 46.839 4.186 1.00 0.34 C ATOM 1862 NZ LYS A 121 4.080 46.694 3.827 1.00 4.52 N ATOM 0 H LYS A 121 8.160 41.708 3.940 1.00 73.14 H new ATOM 0 HA LYS A 121 9.636 44.270 4.120 1.00 44.23 H new ATOM 0 HB2 LYS A 121 7.051 43.824 3.119 1.00 65.33 H new ATOM 0 HB3 LYS A 121 6.774 44.352 4.767 1.00 65.33 H new ATOM 0 HG2 LYS A 121 8.109 46.387 4.367 1.00 44.41 H new ATOM 0 HG3 LYS A 121 8.469 45.852 2.737 1.00 44.41 H new ATOM 0 HD2 LYS A 121 6.668 47.345 2.443 1.00 33.24 H new ATOM 0 HD3 LYS A 121 5.911 45.766 2.367 1.00 33.24 H new ATOM 0 HE2 LYS A 121 5.742 46.212 5.049 1.00 0.34 H new ATOM 0 HE3 LYS A 121 5.717 47.869 4.481 1.00 0.34 H new ATOM 0 HZ1 LYS A 121 3.490 46.964 4.640 1.00 4.52 H new ATOM 0 HZ2 LYS A 121 3.860 47.312 3.020 1.00 4.52 H new ATOM 0 HZ3 LYS A 121 3.884 45.705 3.570 1.00 4.52 H new ATOM 1876 N GLY A 122 9.346 44.445 6.616 1.00 21.21 N ATOM 1877 CA GLY A 122 9.395 44.372 8.064 1.00 73.44 C ATOM 1878 C GLY A 122 8.393 45.298 8.726 1.00 70.33 C ATOM 1879 O GLY A 122 7.873 46.217 8.092 1.00 43.32 O ATOM 0 H GLY A 122 9.781 45.275 6.214 1.00 21.21 H new ATOM 0 HA2 GLY A 122 9.201 43.347 8.380 1.00 73.44 H new ATOM 0 HA3 GLY A 122 10.399 44.626 8.404 1.00 73.44 H new ATOM 1883 N LYS A 123 8.120 45.056 10.003 1.00 33.50 N ATOM 1884 CA LYS A 123 7.173 45.874 10.751 1.00 50.13 C ATOM 1885 C LYS A 123 7.454 45.799 12.249 1.00 13.02 C ATOM 1886 O LYS A 123 7.888 44.766 12.758 1.00 64.23 O ATOM 1887 CB LYS A 123 5.739 45.421 10.468 1.00 63.52 C ATOM 1888 CG LYS A 123 5.494 43.953 10.771 1.00 21.01 C ATOM 1889 CD LYS A 123 4.566 43.777 11.961 1.00 30.51 C ATOM 1890 CE LYS A 123 4.163 42.321 12.143 1.00 60.53 C ATOM 1891 NZ LYS A 123 3.091 41.919 11.190 1.00 50.11 N ATOM 0 H LYS A 123 8.541 44.300 10.542 1.00 33.50 H new ATOM 0 HA LYS A 123 7.291 46.908 10.427 1.00 50.13 H new ATOM 0 HB2 LYS A 123 5.052 46.025 11.061 1.00 63.52 H new ATOM 0 HB3 LYS A 123 5.507 45.611 9.420 1.00 63.52 H new ATOM 0 HG2 LYS A 123 5.062 43.467 9.896 1.00 21.01 H new ATOM 0 HG3 LYS A 123 6.444 43.459 10.973 1.00 21.01 H new ATOM 0 HD2 LYS A 123 5.059 44.135 12.865 1.00 30.51 H new ATOM 0 HD3 LYS A 123 3.674 44.388 11.822 1.00 30.51 H new ATOM 0 HE2 LYS A 123 5.035 41.682 12.000 1.00 60.53 H new ATOM 0 HE3 LYS A 123 3.818 42.165 13.165 1.00 60.53 H new ATOM 0 HZ1 LYS A 123 2.844 40.921 11.346 1.00 50.11 H new ATOM 0 HZ2 LYS A 123 2.250 42.511 11.343 1.00 50.11 H new ATOM 0 HZ3 LYS A 123 3.429 42.044 10.214 1.00 50.11 H new ATOM 1905 N GLY A 124 7.201 46.899 12.951 1.00 63.24 N ATOM 1906 CA GLY A 124 7.432 46.936 14.382 1.00 31.14 C ATOM 1907 C GLY A 124 7.057 48.270 14.996 1.00 53.14 C ATOM 1908 O GLY A 124 6.618 49.184 14.297 1.00 22.13 O ATOM 0 H GLY A 124 6.840 47.766 12.553 1.00 63.24 H new ATOM 0 HA2 GLY A 124 6.855 46.144 14.860 1.00 31.14 H new ATOM 0 HA3 GLY A 124 8.483 46.730 14.583 1.00 31.14 H new ATOM 1912 N LYS A 125 7.228 48.385 16.310 1.00 24.34 N ATOM 1913 CA LYS A 125 6.905 49.617 17.019 1.00 11.25 C ATOM 1914 C LYS A 125 8.165 50.432 17.295 1.00 62.14 C ATOM 1915 O LYS A 125 9.024 50.018 18.072 1.00 62.11 O ATOM 1916 CB LYS A 125 6.192 49.299 18.335 1.00 34.20 C ATOM 1917 CG LYS A 125 4.777 48.779 18.150 1.00 61.55 C ATOM 1918 CD LYS A 125 4.503 47.578 19.039 1.00 10.23 C ATOM 1919 CE LYS A 125 5.023 46.292 18.414 1.00 11.31 C ATOM 1920 NZ LYS A 125 3.914 45.396 17.985 1.00 30.32 N ATOM 0 H LYS A 125 7.589 47.639 16.905 1.00 24.34 H new ATOM 0 HA LYS A 125 6.242 50.208 16.387 1.00 11.25 H new ATOM 0 HB2 LYS A 125 6.773 48.558 18.884 1.00 34.20 H new ATOM 0 HB3 LYS A 125 6.162 50.199 18.949 1.00 34.20 H new ATOM 0 HG2 LYS A 125 4.064 49.572 18.378 1.00 61.55 H new ATOM 0 HG3 LYS A 125 4.623 48.503 17.107 1.00 61.55 H new ATOM 0 HD2 LYS A 125 4.974 47.728 20.010 1.00 10.23 H new ATOM 0 HD3 LYS A 125 3.431 47.491 19.215 1.00 10.23 H new ATOM 0 HE2 LYS A 125 5.648 46.533 17.554 1.00 11.31 H new ATOM 0 HE3 LYS A 125 5.655 45.769 19.132 1.00 11.31 H new ATOM 0 HZ1 LYS A 125 4.310 44.531 17.564 1.00 30.32 H new ATOM 0 HZ2 LYS A 125 3.332 45.145 18.809 1.00 30.32 H new ATOM 0 HZ3 LYS A 125 3.325 45.885 17.281 1.00 30.32 H new ATOM 1934 N GLU A 126 8.266 51.593 16.654 1.00 55.11 N ATOM 1935 CA GLU A 126 9.420 52.465 16.832 1.00 54.42 C ATOM 1936 C GLU A 126 9.274 53.309 18.096 1.00 64.11 C ATOM 1937 O GLU A 126 8.201 53.371 18.693 1.00 72.03 O ATOM 1938 CB GLU A 126 9.592 53.375 15.614 1.00 54.41 C ATOM 1939 CG GLU A 126 10.985 53.324 15.009 1.00 50.55 C ATOM 1940 CD GLU A 126 11.203 54.393 13.956 1.00 72.34 C ATOM 1941 OE1 GLU A 126 10.255 55.160 13.685 1.00 53.44 O ATOM 1942 OE2 GLU A 126 12.320 54.463 13.402 1.00 51.02 O ATOM 0 H GLU A 126 7.563 51.950 16.007 1.00 55.11 H new ATOM 0 HA GLU A 126 10.305 51.838 16.935 1.00 54.42 H new ATOM 0 HB2 GLU A 126 8.864 53.092 14.854 1.00 54.41 H new ATOM 0 HB3 GLU A 126 9.368 54.402 15.903 1.00 54.41 H new ATOM 0 HG2 GLU A 126 11.725 53.442 15.800 1.00 50.55 H new ATOM 0 HG3 GLU A 126 11.148 52.342 14.564 1.00 50.55 H new ATOM 1949 N ASN A 127 10.363 53.958 18.496 1.00 65.25 N ATOM 1950 CA ASN A 127 10.358 54.798 19.688 1.00 73.14 C ATOM 1951 C ASN A 127 9.854 54.019 20.900 1.00 62.43 C ATOM 1952 O ASN A 127 10.129 54.384 22.042 1.00 44.12 O ATOM 1953 CB ASN A 127 9.483 56.034 19.463 1.00 4.43 C ATOM 1954 CG ASN A 127 10.295 57.314 19.407 1.00 33.51 C ATOM 1955 OD1 ASN A 127 11.185 57.461 18.569 1.00 70.13 O ATOM 1956 ND2 ASN A 127 9.991 58.246 20.301 1.00 73.23 N ATOM 1957 OXT ASN A 127 9.165 53.015 20.733 1.00 0.00 O ATOM 0 H ASN A 127 11.260 53.918 18.012 1.00 65.25 H new ATOM 0 HA ASN A 127 11.382 55.116 19.882 1.00 73.14 H new ATOM 0 HB2 ASN A 127 8.928 55.918 18.532 1.00 4.43 H new ATOM 0 HB3 ASN A 127 8.749 56.107 20.265 1.00 4.43 H new ATOM 0 HD21 ASN A 127 10.503 59.128 20.312 1.00 73.23 H new ATOM 0 HD22 ASN A 127 9.245 58.080 20.977 1.00 73.23 H new TER 1964 ASN A 127