USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 527 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 13 LYS NZ :NH3+ 175:sc= 1.63! (180deg=0.633) USER MOD Set 1.2: A 15 ASN : amide:sc= -1.29! C(o=0.9!,f=-21!) USER MOD Set 1.3: A 21 THR OG1 : rot -104:sc= 0.568! USER MOD Set 2.1: A 6 THR OG1 : rot -76:sc= 2.11 USER MOD Set 2.2: A 8 LYS NZ :NH3+ 180:sc= 1.21! (180deg=0.9) USER MOD Single : A 1 THR N :NH3+ -127:sc= 0.55 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 58:sc= 1.37 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 160:sc= -1.43 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= 0.579 (180deg=-0.698!) USER MOD Single : A 31 THR OG1 : rot -130:sc= -2.03 USER MOD Single : A 32 ASN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.275 K(o=-0.27,f=-0.96) USER MOD Single : A 37 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.49) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -101:sc= 0.999 USER MOD Single : A 44 GLN : amide:sc= -0.0497 X(o=-0.05,f=0) USER MOD Single : A 46 THR OG1 : rot -94:sc= 1.16 USER MOD Single : A 48 MET CE :methyl -169:sc= 0 (180deg=-0.227) USER MOD Single : A 49 THR OG1 : rot -65:sc= 0.473 USER MOD Single : A 51 THR OG1 : rot -170:sc= -1.63! USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= 1.81 (180deg=1.5) USER MOD Single : A 54 THR OG1 : rot -76:sc= 0.933 USER MOD Single : A 55 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.38) USER MOD Single : A 58 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.026) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 64 SER OG : rot -57:sc= 0.576 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 35.806 111.616 -49.357 1.00 0.00 N ATOM 2 CA THR A 1 34.797 110.637 -48.833 1.00 0.00 C ATOM 3 C THR A 1 35.099 110.314 -47.363 1.00 0.00 C ATOM 4 O THR A 1 36.154 110.660 -46.863 1.00 0.00 O ATOM 5 CB THR A 1 34.859 109.339 -49.654 1.00 0.00 C ATOM 6 OG1 THR A 1 36.090 109.280 -50.359 1.00 0.00 O ATOM 7 CG2 THR A 1 33.702 109.304 -50.652 1.00 0.00 C ATOM 0 H1 THR A 1 35.314 112.429 -49.780 1.00 0.00 H new ATOM 0 H2 THR A 1 36.409 111.944 -48.576 1.00 0.00 H new ATOM 0 H3 THR A 1 36.395 111.154 -50.079 1.00 0.00 H new ATOM 0 HA THR A 1 33.803 111.077 -48.914 1.00 0.00 H new ATOM 0 HB THR A 1 34.783 108.485 -48.980 1.00 0.00 H new ATOM 0 HG1 THR A 1 36.834 109.337 -49.724 1.00 0.00 H new ATOM 0 HG21 THR A 1 33.750 108.382 -51.232 1.00 0.00 H new ATOM 0 HG22 THR A 1 32.755 109.345 -50.113 1.00 0.00 H new ATOM 0 HG23 THR A 1 33.775 110.159 -51.324 1.00 0.00 H new ATOM 17 N PRO A 2 34.163 109.655 -46.713 1.00 0.00 N ATOM 18 CA PRO A 2 34.308 109.261 -45.296 1.00 0.00 C ATOM 19 C PRO A 2 35.216 108.023 -45.178 1.00 0.00 C ATOM 20 O PRO A 2 34.824 106.998 -44.643 1.00 0.00 O ATOM 21 CB PRO A 2 32.869 108.944 -44.866 1.00 0.00 C ATOM 22 CG PRO A 2 32.088 108.617 -46.160 1.00 0.00 C ATOM 23 CD PRO A 2 32.877 109.243 -47.323 1.00 0.00 C ATOM 0 HA PRO A 2 34.768 110.029 -44.674 1.00 0.00 H new ATOM 0 HB2 PRO A 2 32.847 108.101 -44.176 1.00 0.00 H new ATOM 0 HB3 PRO A 2 32.423 109.793 -44.347 1.00 0.00 H new ATOM 0 HG2 PRO A 2 31.993 107.539 -46.293 1.00 0.00 H new ATOM 0 HG3 PRO A 2 31.077 109.023 -46.115 1.00 0.00 H new ATOM 0 HD2 PRO A 2 33.031 108.527 -48.130 1.00 0.00 H new ATOM 0 HD3 PRO A 2 32.348 110.095 -47.749 1.00 0.00 H new ATOM 31 N ASP A 3 36.427 108.110 -45.681 1.00 0.00 N ATOM 32 CA ASP A 3 37.356 106.942 -45.606 1.00 0.00 C ATOM 33 C ASP A 3 38.151 106.992 -44.284 1.00 0.00 C ATOM 34 O ASP A 3 37.635 107.434 -43.271 1.00 0.00 O ATOM 35 CB ASP A 3 38.304 106.960 -46.812 1.00 0.00 C ATOM 36 CG ASP A 3 37.531 107.311 -48.089 1.00 0.00 C ATOM 37 OD1 ASP A 3 36.913 106.425 -48.654 1.00 0.00 O ATOM 38 OD2 ASP A 3 37.568 108.464 -48.485 1.00 0.00 O ATOM 0 H ASP A 3 36.808 108.938 -46.138 1.00 0.00 H new ATOM 0 HA ASP A 3 36.782 106.015 -45.629 1.00 0.00 H new ATOM 0 HB2 ASP A 3 39.099 107.688 -46.648 1.00 0.00 H new ATOM 0 HB3 ASP A 3 38.781 105.986 -46.923 1.00 0.00 H new ATOM 43 N CYS A 4 39.391 106.527 -44.261 1.00 0.00 N ATOM 44 CA CYS A 4 40.159 106.559 -42.972 1.00 0.00 C ATOM 45 C CYS A 4 41.644 106.195 -43.157 1.00 0.00 C ATOM 46 O CYS A 4 42.479 107.068 -43.283 1.00 0.00 O ATOM 47 CB CYS A 4 39.518 105.585 -41.984 1.00 0.00 C ATOM 48 SG CYS A 4 40.511 105.491 -40.477 1.00 0.00 S ATOM 0 H CYS A 4 39.889 106.137 -45.061 1.00 0.00 H new ATOM 0 HA CYS A 4 40.121 107.580 -42.593 1.00 0.00 H new ATOM 0 HB2 CYS A 4 38.506 105.912 -41.743 1.00 0.00 H new ATOM 0 HB3 CYS A 4 39.435 104.597 -42.437 1.00 0.00 H new ATOM 53 N VAL A 5 41.989 104.922 -43.118 1.00 0.00 N ATOM 54 CA VAL A 5 43.437 104.531 -43.224 1.00 0.00 C ATOM 55 C VAL A 5 43.645 103.345 -44.185 1.00 0.00 C ATOM 56 O VAL A 5 42.803 103.022 -45.001 1.00 0.00 O ATOM 57 CB VAL A 5 43.933 104.126 -41.822 1.00 0.00 C ATOM 58 CG1 VAL A 5 43.726 105.279 -40.838 1.00 0.00 C ATOM 59 CG2 VAL A 5 43.155 102.894 -41.336 1.00 0.00 C ATOM 0 H VAL A 5 41.336 104.145 -43.018 1.00 0.00 H new ATOM 0 HA VAL A 5 43.994 105.382 -43.616 1.00 0.00 H new ATOM 0 HB VAL A 5 44.996 103.890 -41.877 1.00 0.00 H new ATOM 0 HG11 VAL A 5 44.080 104.983 -39.851 1.00 0.00 H new ATOM 0 HG12 VAL A 5 44.285 106.151 -41.177 1.00 0.00 H new ATOM 0 HG13 VAL A 5 42.666 105.526 -40.785 1.00 0.00 H new ATOM 0 HG21 VAL A 5 43.507 102.609 -40.345 1.00 0.00 H new ATOM 0 HG22 VAL A 5 42.092 103.130 -41.290 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.313 102.067 -42.029 1.00 0.00 H new ATOM 69 N THR A 6 44.786 102.699 -44.079 1.00 0.00 N ATOM 70 CA THR A 6 45.110 101.534 -44.943 1.00 0.00 C ATOM 71 C THR A 6 44.832 100.236 -44.181 1.00 0.00 C ATOM 72 O THR A 6 44.345 100.264 -43.063 1.00 0.00 O ATOM 73 CB THR A 6 46.582 101.614 -45.344 1.00 0.00 C ATOM 74 OG1 THR A 6 47.432 101.673 -44.193 1.00 0.00 O ATOM 75 CG2 THR A 6 46.782 102.856 -46.204 1.00 0.00 C ATOM 0 H THR A 6 45.517 102.943 -43.411 1.00 0.00 H new ATOM 0 HA THR A 6 44.491 101.547 -45.840 1.00 0.00 H new ATOM 0 HB THR A 6 46.848 100.717 -45.904 1.00 0.00 H new ATOM 0 HG1 THR A 6 47.393 102.571 -43.803 1.00 0.00 H new ATOM 0 HG21 THR A 6 47.829 102.929 -46.500 1.00 0.00 H new ATOM 0 HG22 THR A 6 46.157 102.786 -47.095 1.00 0.00 H new ATOM 0 HG23 THR A 6 46.503 103.742 -45.634 1.00 0.00 H new ATOM 83 N GLY A 7 45.104 99.096 -44.776 1.00 0.00 N ATOM 84 CA GLY A 7 44.811 97.812 -44.073 1.00 0.00 C ATOM 85 C GLY A 7 45.865 96.734 -44.348 1.00 0.00 C ATOM 86 O GLY A 7 45.573 95.715 -44.946 1.00 0.00 O ATOM 0 H GLY A 7 45.511 99.003 -45.707 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.755 97.994 -43.000 1.00 0.00 H new ATOM 0 HA3 GLY A 7 43.833 97.446 -44.385 1.00 0.00 H new ATOM 90 N LYS A 8 47.066 96.927 -43.858 1.00 0.00 N ATOM 91 CA LYS A 8 48.127 95.884 -44.002 1.00 0.00 C ATOM 92 C LYS A 8 47.734 94.752 -43.033 1.00 0.00 C ATOM 93 O LYS A 8 46.558 94.520 -42.827 1.00 0.00 O ATOM 94 CB LYS A 8 49.513 96.458 -43.632 1.00 0.00 C ATOM 95 CG LYS A 8 49.841 97.676 -44.496 1.00 0.00 C ATOM 96 CD LYS A 8 49.246 98.927 -43.870 1.00 0.00 C ATOM 97 CE LYS A 8 50.202 100.106 -44.038 1.00 0.00 C ATOM 98 NZ LYS A 8 49.615 101.287 -43.352 1.00 0.00 N ATOM 0 H LYS A 8 47.357 97.769 -43.361 1.00 0.00 H new ATOM 0 HA LYS A 8 48.199 95.527 -45.030 1.00 0.00 H new ATOM 0 HB2 LYS A 8 49.527 96.739 -42.579 1.00 0.00 H new ATOM 0 HB3 LYS A 8 50.277 95.693 -43.768 1.00 0.00 H new ATOM 0 HG2 LYS A 8 50.921 97.785 -44.592 1.00 0.00 H new ATOM 0 HG3 LYS A 8 49.444 97.537 -45.502 1.00 0.00 H new ATOM 0 HD2 LYS A 8 48.288 99.156 -44.337 1.00 0.00 H new ATOM 0 HD3 LYS A 8 49.051 98.755 -42.811 1.00 0.00 H new ATOM 0 HE2 LYS A 8 51.177 99.867 -43.614 1.00 0.00 H new ATOM 0 HE3 LYS A 8 50.358 100.320 -45.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 50.253 102.102 -43.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 48.693 101.513 -43.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 49.487 101.074 -42.342 1.00 0.00 H new ATOM 112 N VAL A 9 48.664 94.055 -42.417 1.00 0.00 N ATOM 113 CA VAL A 9 48.253 92.965 -41.459 1.00 0.00 C ATOM 114 C VAL A 9 49.364 92.635 -40.459 1.00 0.00 C ATOM 115 O VAL A 9 49.895 91.544 -40.457 1.00 0.00 O ATOM 116 CB VAL A 9 47.938 91.707 -42.250 1.00 0.00 C ATOM 117 CG1 VAL A 9 47.550 90.587 -41.283 1.00 0.00 C ATOM 118 CG2 VAL A 9 46.796 91.999 -43.213 1.00 0.00 C ATOM 0 H VAL A 9 49.669 94.186 -42.530 1.00 0.00 H new ATOM 0 HA VAL A 9 47.383 93.318 -40.906 1.00 0.00 H new ATOM 0 HB VAL A 9 48.812 91.391 -42.820 1.00 0.00 H new ATOM 0 HG11 VAL A 9 47.323 89.682 -41.847 1.00 0.00 H new ATOM 0 HG12 VAL A 9 48.378 90.392 -40.601 1.00 0.00 H new ATOM 0 HG13 VAL A 9 46.672 90.888 -40.711 1.00 0.00 H new ATOM 0 HG21 VAL A 9 46.564 91.101 -43.785 1.00 0.00 H new ATOM 0 HG22 VAL A 9 45.916 92.309 -42.650 1.00 0.00 H new ATOM 0 HG23 VAL A 9 47.090 92.797 -43.895 1.00 0.00 H new ATOM 128 N GLU A 10 49.716 93.513 -39.575 1.00 0.00 N ATOM 129 CA GLU A 10 50.795 93.131 -38.635 1.00 0.00 C ATOM 130 C GLU A 10 50.203 92.732 -37.287 1.00 0.00 C ATOM 131 O GLU A 10 50.544 93.324 -36.277 1.00 0.00 O ATOM 132 CB GLU A 10 51.784 94.300 -38.482 1.00 0.00 C ATOM 133 CG GLU A 10 52.987 94.129 -39.431 1.00 0.00 C ATOM 134 CD GLU A 10 52.570 93.426 -40.730 1.00 0.00 C ATOM 135 OE1 GLU A 10 51.917 94.060 -41.545 1.00 0.00 O ATOM 136 OE2 GLU A 10 52.918 92.263 -40.885 1.00 0.00 O ATOM 0 H GLU A 10 49.322 94.447 -39.461 1.00 0.00 H new ATOM 0 HA GLU A 10 51.334 92.271 -39.032 1.00 0.00 H new ATOM 0 HB2 GLU A 10 51.277 95.241 -38.696 1.00 0.00 H new ATOM 0 HB3 GLU A 10 52.133 94.354 -37.451 1.00 0.00 H new ATOM 0 HG2 GLU A 10 53.413 95.105 -39.663 1.00 0.00 H new ATOM 0 HG3 GLU A 10 53.766 93.551 -38.935 1.00 0.00 H new ATOM 143 N TYR A 11 49.333 91.720 -37.287 1.00 0.00 N ATOM 144 CA TYR A 11 48.681 91.208 -36.002 1.00 0.00 C ATOM 145 C TYR A 11 47.137 91.229 -36.117 1.00 0.00 C ATOM 146 O TYR A 11 46.514 92.269 -36.032 1.00 0.00 O ATOM 147 CB TYR A 11 49.134 92.077 -34.801 1.00 0.00 C ATOM 148 CG TYR A 11 48.463 91.707 -33.493 1.00 0.00 C ATOM 149 CD1 TYR A 11 47.132 92.069 -33.249 1.00 0.00 C ATOM 150 CD2 TYR A 11 49.199 91.052 -32.498 1.00 0.00 C ATOM 151 CE1 TYR A 11 46.537 91.767 -32.021 1.00 0.00 C ATOM 152 CE2 TYR A 11 48.604 90.759 -31.265 1.00 0.00 C ATOM 153 CZ TYR A 11 47.273 91.116 -31.028 1.00 0.00 C ATOM 154 OH TYR A 11 46.690 90.834 -29.810 1.00 0.00 O ATOM 0 H TYR A 11 49.044 91.222 -38.129 1.00 0.00 H new ATOM 0 HA TYR A 11 48.997 90.177 -35.843 1.00 0.00 H new ATOM 0 HB2 TYR A 11 50.214 91.985 -34.684 1.00 0.00 H new ATOM 0 HB3 TYR A 11 48.926 93.124 -35.022 1.00 0.00 H new ATOM 0 HD1 TYR A 11 46.565 92.582 -34.011 1.00 0.00 H new ATOM 0 HD2 TYR A 11 50.226 90.773 -32.682 1.00 0.00 H new ATOM 0 HE1 TYR A 11 45.507 92.037 -31.840 1.00 0.00 H new ATOM 0 HE2 TYR A 11 49.173 90.257 -30.497 1.00 0.00 H new ATOM 0 HH TYR A 11 47.339 90.378 -29.234 1.00 0.00 H new ATOM 164 N THR A 12 46.513 90.080 -36.306 1.00 0.00 N ATOM 165 CA THR A 12 45.008 90.029 -36.403 1.00 0.00 C ATOM 166 C THR A 12 44.466 89.128 -35.280 1.00 0.00 C ATOM 167 O THR A 12 44.361 87.923 -35.435 1.00 0.00 O ATOM 168 CB THR A 12 44.642 89.420 -37.740 1.00 0.00 C ATOM 169 OG1 THR A 12 44.921 90.347 -38.781 1.00 0.00 O ATOM 170 CG2 THR A 12 43.163 89.060 -37.756 1.00 0.00 C ATOM 0 H THR A 12 46.980 89.178 -36.397 1.00 0.00 H new ATOM 0 HA THR A 12 44.585 91.029 -36.310 1.00 0.00 H new ATOM 0 HB THR A 12 45.232 88.516 -37.895 1.00 0.00 H new ATOM 0 HG1 THR A 12 44.685 89.949 -39.645 1.00 0.00 H new ATOM 0 HG21 THR A 12 42.905 88.622 -38.720 1.00 0.00 H new ATOM 0 HG22 THR A 12 42.955 88.341 -36.964 1.00 0.00 H new ATOM 0 HG23 THR A 12 42.568 89.959 -37.595 1.00 0.00 H new ATOM 178 N LYS A 13 44.138 89.703 -34.154 1.00 0.00 N ATOM 179 CA LYS A 13 43.623 88.899 -32.999 1.00 0.00 C ATOM 180 C LYS A 13 42.208 88.359 -33.272 1.00 0.00 C ATOM 181 O LYS A 13 41.216 89.024 -33.007 1.00 0.00 O ATOM 182 CB LYS A 13 43.614 89.791 -31.751 1.00 0.00 C ATOM 183 CG LYS A 13 43.133 88.994 -30.537 1.00 0.00 C ATOM 184 CD LYS A 13 42.247 89.888 -29.665 1.00 0.00 C ATOM 185 CE LYS A 13 40.808 89.370 -29.685 1.00 0.00 C ATOM 186 NZ LYS A 13 40.126 89.813 -30.937 1.00 0.00 N ATOM 0 H LYS A 13 44.204 90.706 -33.980 1.00 0.00 H new ATOM 0 HA LYS A 13 44.275 88.039 -32.848 1.00 0.00 H new ATOM 0 HB2 LYS A 13 44.615 90.181 -31.566 1.00 0.00 H new ATOM 0 HB3 LYS A 13 42.962 90.650 -31.913 1.00 0.00 H new ATOM 0 HG2 LYS A 13 42.576 88.115 -30.862 1.00 0.00 H new ATOM 0 HG3 LYS A 13 43.986 88.635 -29.961 1.00 0.00 H new ATOM 0 HD2 LYS A 13 42.624 89.902 -28.642 1.00 0.00 H new ATOM 0 HD3 LYS A 13 42.279 90.914 -30.031 1.00 0.00 H new ATOM 0 HE2 LYS A 13 40.803 88.282 -29.623 1.00 0.00 H new ATOM 0 HE3 LYS A 13 40.267 89.741 -28.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 39.178 89.388 -30.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 40.041 90.850 -30.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 40.683 89.510 -31.761 1.00 0.00 H new ATOM 200 N TYR A 14 42.107 87.143 -33.765 1.00 0.00 N ATOM 201 CA TYR A 14 40.762 86.543 -34.026 1.00 0.00 C ATOM 202 C TYR A 14 40.215 85.905 -32.744 1.00 0.00 C ATOM 203 O TYR A 14 40.955 85.388 -31.917 1.00 0.00 O ATOM 204 CB TYR A 14 40.845 85.483 -35.153 1.00 0.00 C ATOM 205 CG TYR A 14 40.586 84.085 -34.611 1.00 0.00 C ATOM 206 CD1 TYR A 14 39.273 83.603 -34.509 1.00 0.00 C ATOM 207 CD2 TYR A 14 41.653 83.280 -34.206 1.00 0.00 C ATOM 208 CE1 TYR A 14 39.030 82.321 -34.002 1.00 0.00 C ATOM 209 CE2 TYR A 14 41.410 81.993 -33.700 1.00 0.00 C ATOM 210 CZ TYR A 14 40.097 81.515 -33.598 1.00 0.00 C ATOM 211 OH TYR A 14 39.849 80.251 -33.095 1.00 0.00 O ATOM 0 H TYR A 14 42.899 86.544 -33.996 1.00 0.00 H new ATOM 0 HA TYR A 14 40.086 87.336 -34.347 1.00 0.00 H new ATOM 0 HB2 TYR A 14 40.117 85.716 -35.930 1.00 0.00 H new ATOM 0 HB3 TYR A 14 41.830 85.519 -35.619 1.00 0.00 H new ATOM 0 HD1 TYR A 14 38.446 84.223 -34.823 1.00 0.00 H new ATOM 0 HD2 TYR A 14 42.666 83.648 -34.282 1.00 0.00 H new ATOM 0 HE1 TYR A 14 38.017 81.955 -33.923 1.00 0.00 H new ATOM 0 HE2 TYR A 14 42.236 81.371 -33.389 1.00 0.00 H new ATOM 0 HH TYR A 14 40.697 79.820 -32.861 1.00 0.00 H new ATOM 221 N ASN A 15 38.914 85.921 -32.610 1.00 0.00 N ATOM 222 CA ASN A 15 38.246 85.307 -31.426 1.00 0.00 C ATOM 223 C ASN A 15 36.738 85.168 -31.702 1.00 0.00 C ATOM 224 O ASN A 15 36.129 84.171 -31.355 1.00 0.00 O ATOM 225 CB ASN A 15 38.489 86.169 -30.174 1.00 0.00 C ATOM 226 CG ASN A 15 37.695 87.475 -30.256 1.00 0.00 C ATOM 227 OD1 ASN A 15 38.181 88.467 -30.762 1.00 0.00 O ATOM 228 ND2 ASN A 15 36.487 87.525 -29.776 1.00 0.00 N ATOM 0 H ASN A 15 38.276 86.342 -33.285 1.00 0.00 H new ATOM 0 HA ASN A 15 38.666 84.317 -31.247 1.00 0.00 H new ATOM 0 HB2 ASN A 15 38.197 85.615 -29.282 1.00 0.00 H new ATOM 0 HB3 ASN A 15 39.552 86.389 -30.078 1.00 0.00 H new ATOM 0 HD21 ASN A 15 35.954 88.393 -29.826 1.00 0.00 H new ATOM 0 HD22 ASN A 15 36.073 86.696 -29.350 1.00 0.00 H new ATOM 235 N ASP A 16 36.142 86.163 -32.322 1.00 0.00 N ATOM 236 CA ASP A 16 34.681 86.124 -32.627 1.00 0.00 C ATOM 237 C ASP A 16 34.362 84.935 -33.552 1.00 0.00 C ATOM 238 O ASP A 16 33.667 84.006 -33.182 1.00 0.00 O ATOM 239 CB ASP A 16 34.274 87.442 -33.308 1.00 0.00 C ATOM 240 CG ASP A 16 34.981 88.618 -32.626 1.00 0.00 C ATOM 241 OD1 ASP A 16 36.169 88.786 -32.864 1.00 0.00 O ATOM 242 OD2 ASP A 16 34.330 89.325 -31.881 1.00 0.00 O ATOM 0 H ASP A 16 36.617 87.011 -32.632 1.00 0.00 H new ATOM 0 HA ASP A 16 34.121 86.002 -31.700 1.00 0.00 H new ATOM 0 HB2 ASP A 16 34.536 87.412 -34.366 1.00 0.00 H new ATOM 0 HB3 ASP A 16 33.193 87.573 -33.251 1.00 0.00 H new ATOM 247 N ASP A 17 34.882 84.987 -34.749 1.00 0.00 N ATOM 248 CA ASP A 17 34.669 83.916 -35.788 1.00 0.00 C ATOM 249 C ASP A 17 35.256 84.451 -37.104 1.00 0.00 C ATOM 250 O ASP A 17 35.929 83.756 -37.843 1.00 0.00 O ATOM 251 CB ASP A 17 33.168 83.637 -35.963 1.00 0.00 C ATOM 252 CG ASP A 17 32.915 82.128 -35.942 1.00 0.00 C ATOM 253 OD1 ASP A 17 32.790 81.582 -34.857 1.00 0.00 O ATOM 254 OD2 ASP A 17 32.855 81.543 -37.010 1.00 0.00 O ATOM 0 H ASP A 17 35.471 85.756 -35.069 1.00 0.00 H new ATOM 0 HA ASP A 17 35.151 82.985 -35.490 1.00 0.00 H new ATOM 0 HB2 ASP A 17 32.604 84.121 -35.166 1.00 0.00 H new ATOM 0 HB3 ASP A 17 32.817 84.061 -36.904 1.00 0.00 H new ATOM 259 N ASP A 18 35.019 85.717 -37.346 1.00 0.00 N ATOM 260 CA ASP A 18 35.557 86.417 -38.553 1.00 0.00 C ATOM 261 C ASP A 18 35.860 87.881 -38.167 1.00 0.00 C ATOM 262 O ASP A 18 36.837 88.449 -38.614 1.00 0.00 O ATOM 263 CB ASP A 18 34.525 86.366 -39.695 1.00 0.00 C ATOM 264 CG ASP A 18 34.886 87.382 -40.789 1.00 0.00 C ATOM 265 OD1 ASP A 18 35.730 87.065 -41.612 1.00 0.00 O ATOM 266 OD2 ASP A 18 34.310 88.459 -40.790 1.00 0.00 O ATOM 0 H ASP A 18 34.457 86.312 -36.737 1.00 0.00 H new ATOM 0 HA ASP A 18 36.468 85.928 -38.898 1.00 0.00 H new ATOM 0 HB2 ASP A 18 34.491 85.362 -40.119 1.00 0.00 H new ATOM 0 HB3 ASP A 18 33.530 86.581 -39.305 1.00 0.00 H new ATOM 271 N THR A 19 35.032 88.479 -37.327 1.00 0.00 N ATOM 272 CA THR A 19 35.254 89.894 -36.879 1.00 0.00 C ATOM 273 C THR A 19 36.716 90.060 -36.427 1.00 0.00 C ATOM 274 O THR A 19 37.543 90.582 -37.156 1.00 0.00 O ATOM 275 CB THR A 19 34.286 90.193 -35.715 1.00 0.00 C ATOM 276 OG1 THR A 19 32.998 90.479 -36.240 1.00 0.00 O ATOM 277 CG2 THR A 19 34.768 91.388 -34.890 1.00 0.00 C ATOM 0 H THR A 19 34.203 88.036 -36.931 1.00 0.00 H new ATOM 0 HA THR A 19 35.064 90.592 -37.695 1.00 0.00 H new ATOM 0 HB THR A 19 34.247 89.318 -35.066 1.00 0.00 H new ATOM 0 HG1 THR A 19 32.324 90.354 -35.540 1.00 0.00 H new ATOM 0 HG21 THR A 19 34.067 91.576 -34.077 1.00 0.00 H new ATOM 0 HG22 THR A 19 35.753 91.171 -34.477 1.00 0.00 H new ATOM 0 HG23 THR A 19 34.828 92.270 -35.528 1.00 0.00 H new ATOM 285 N PHE A 20 37.038 89.608 -35.235 1.00 0.00 N ATOM 286 CA PHE A 20 38.444 89.703 -34.725 1.00 0.00 C ATOM 287 C PHE A 20 38.833 91.149 -34.425 1.00 0.00 C ATOM 288 O PHE A 20 38.115 92.095 -34.719 1.00 0.00 O ATOM 289 CB PHE A 20 39.441 89.181 -35.783 1.00 0.00 C ATOM 290 CG PHE A 20 39.033 87.837 -36.349 1.00 0.00 C ATOM 291 CD1 PHE A 20 38.090 87.033 -35.699 1.00 0.00 C ATOM 292 CD2 PHE A 20 39.631 87.391 -37.533 1.00 0.00 C ATOM 293 CE1 PHE A 20 37.749 85.788 -36.236 1.00 0.00 C ATOM 294 CE2 PHE A 20 39.288 86.146 -38.066 1.00 0.00 C ATOM 295 CZ PHE A 20 38.348 85.345 -37.418 1.00 0.00 C ATOM 0 H PHE A 20 36.379 89.173 -34.589 1.00 0.00 H new ATOM 0 HA PHE A 20 38.486 89.104 -33.815 1.00 0.00 H new ATOM 0 HB2 PHE A 20 39.518 89.905 -36.594 1.00 0.00 H new ATOM 0 HB3 PHE A 20 40.431 89.098 -35.335 1.00 0.00 H new ATOM 0 HD1 PHE A 20 37.627 87.373 -34.785 1.00 0.00 H new ATOM 0 HD2 PHE A 20 40.359 88.010 -38.036 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.021 85.167 -35.736 1.00 0.00 H new ATOM 0 HE2 PHE A 20 39.751 85.804 -38.980 1.00 0.00 H new ATOM 0 HZ PHE A 20 38.083 84.382 -37.830 1.00 0.00 H new ATOM 305 N THR A 21 40.018 91.307 -33.895 1.00 0.00 N ATOM 306 CA THR A 21 40.567 92.657 -33.622 1.00 0.00 C ATOM 307 C THR A 21 41.849 92.775 -34.437 1.00 0.00 C ATOM 308 O THR A 21 42.851 92.136 -34.165 1.00 0.00 O ATOM 309 CB THR A 21 40.848 92.878 -32.142 1.00 0.00 C ATOM 310 OG1 THR A 21 39.946 92.111 -31.347 1.00 0.00 O ATOM 311 CG2 THR A 21 40.637 94.357 -31.873 1.00 0.00 C ATOM 0 H THR A 21 40.636 90.538 -33.637 1.00 0.00 H new ATOM 0 HA THR A 21 39.840 93.419 -33.902 1.00 0.00 H new ATOM 0 HB THR A 21 41.862 92.569 -31.890 1.00 0.00 H new ATOM 0 HG1 THR A 21 39.261 92.701 -30.969 1.00 0.00 H new ATOM 0 HG21 THR A 21 40.827 94.566 -30.820 1.00 0.00 H new ATOM 0 HG22 THR A 21 41.322 94.940 -32.488 1.00 0.00 H new ATOM 0 HG23 THR A 21 39.610 94.628 -32.117 1.00 0.00 H new ATOM 319 N VAL A 22 41.772 93.534 -35.478 1.00 0.00 N ATOM 320 CA VAL A 22 42.903 93.687 -36.428 1.00 0.00 C ATOM 321 C VAL A 22 43.846 94.833 -36.042 1.00 0.00 C ATOM 322 O VAL A 22 43.438 95.966 -35.886 1.00 0.00 O ATOM 323 CB VAL A 22 42.291 93.961 -37.805 1.00 0.00 C ATOM 324 CG1 VAL A 22 43.380 94.298 -38.815 1.00 0.00 C ATOM 325 CG2 VAL A 22 41.529 92.722 -38.279 1.00 0.00 C ATOM 0 H VAL A 22 40.944 94.077 -35.723 1.00 0.00 H new ATOM 0 HA VAL A 22 43.506 92.779 -36.420 1.00 0.00 H new ATOM 0 HB VAL A 22 41.610 94.808 -37.723 1.00 0.00 H new ATOM 0 HG11 VAL A 22 42.927 94.490 -39.788 1.00 0.00 H new ATOM 0 HG12 VAL A 22 43.920 95.185 -38.485 1.00 0.00 H new ATOM 0 HG13 VAL A 22 44.073 93.460 -38.896 1.00 0.00 H new ATOM 0 HG21 VAL A 22 41.093 92.916 -39.259 1.00 0.00 H new ATOM 0 HG22 VAL A 22 42.215 91.877 -38.347 1.00 0.00 H new ATOM 0 HG23 VAL A 22 40.736 92.489 -37.569 1.00 0.00 H new ATOM 335 N LYS A 23 45.115 94.524 -35.959 1.00 0.00 N ATOM 336 CA LYS A 23 46.177 95.537 -35.662 1.00 0.00 C ATOM 337 C LYS A 23 46.948 95.716 -36.965 1.00 0.00 C ATOM 338 O LYS A 23 48.059 95.222 -37.126 1.00 0.00 O ATOM 339 CB LYS A 23 47.123 94.983 -34.600 1.00 0.00 C ATOM 340 CG LYS A 23 47.956 96.116 -34.000 1.00 0.00 C ATOM 341 CD LYS A 23 49.401 95.640 -33.829 1.00 0.00 C ATOM 342 CE LYS A 23 50.310 96.394 -34.802 1.00 0.00 C ATOM 343 NZ LYS A 23 50.278 95.721 -36.135 1.00 0.00 N ATOM 0 H LYS A 23 45.472 93.577 -36.089 1.00 0.00 H new ATOM 0 HA LYS A 23 45.754 96.474 -35.299 1.00 0.00 H new ATOM 0 HB2 LYS A 23 46.552 94.486 -33.816 1.00 0.00 H new ATOM 0 HB3 LYS A 23 47.779 94.232 -35.041 1.00 0.00 H new ATOM 0 HG2 LYS A 23 47.923 96.991 -34.649 1.00 0.00 H new ATOM 0 HG3 LYS A 23 47.543 96.417 -33.037 1.00 0.00 H new ATOM 0 HD2 LYS A 23 49.731 95.808 -32.804 1.00 0.00 H new ATOM 0 HD3 LYS A 23 49.465 94.568 -34.013 1.00 0.00 H new ATOM 0 HE2 LYS A 23 49.981 97.429 -34.897 1.00 0.00 H new ATOM 0 HE3 LYS A 23 51.330 96.418 -34.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 50.896 96.233 -36.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 50.612 94.741 -36.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 49.304 95.720 -36.500 1.00 0.00 H new ATOM 357 N VAL A 24 46.350 96.363 -37.919 1.00 0.00 N ATOM 358 CA VAL A 24 47.017 96.495 -39.244 1.00 0.00 C ATOM 359 C VAL A 24 46.747 97.866 -39.864 1.00 0.00 C ATOM 360 O VAL A 24 46.207 98.757 -39.234 1.00 0.00 O ATOM 361 CB VAL A 24 46.483 95.389 -40.159 1.00 0.00 C ATOM 362 CG1 VAL A 24 46.275 94.095 -39.361 1.00 0.00 C ATOM 363 CG2 VAL A 24 45.151 95.816 -40.770 1.00 0.00 C ATOM 0 H VAL A 24 45.434 96.805 -37.843 1.00 0.00 H new ATOM 0 HA VAL A 24 48.096 96.400 -39.118 1.00 0.00 H new ATOM 0 HB VAL A 24 47.211 95.214 -40.951 1.00 0.00 H new ATOM 0 HG11 VAL A 24 45.895 93.317 -40.023 1.00 0.00 H new ATOM 0 HG12 VAL A 24 47.225 93.775 -38.932 1.00 0.00 H new ATOM 0 HG13 VAL A 24 45.557 94.273 -38.560 1.00 0.00 H new ATOM 0 HG21 VAL A 24 44.778 95.024 -41.419 1.00 0.00 H new ATOM 0 HG22 VAL A 24 44.429 96.003 -39.975 1.00 0.00 H new ATOM 0 HG23 VAL A 24 45.293 96.726 -41.353 1.00 0.00 H new ATOM 373 N GLY A 25 47.126 98.034 -41.104 1.00 0.00 N ATOM 374 CA GLY A 25 46.903 99.351 -41.785 1.00 0.00 C ATOM 375 C GLY A 25 47.657 100.414 -41.018 1.00 0.00 C ATOM 376 O GLY A 25 48.867 100.539 -41.130 1.00 0.00 O ATOM 0 H GLY A 25 47.579 97.321 -41.676 1.00 0.00 H new ATOM 0 HA2 GLY A 25 47.251 99.309 -42.817 1.00 0.00 H new ATOM 0 HA3 GLY A 25 45.839 99.587 -41.816 1.00 0.00 H new ATOM 380 N ASP A 26 46.954 101.161 -40.227 1.00 0.00 N ATOM 381 CA ASP A 26 47.610 102.210 -39.411 1.00 0.00 C ATOM 382 C ASP A 26 47.014 102.210 -37.998 1.00 0.00 C ATOM 383 O ASP A 26 47.242 103.132 -37.230 1.00 0.00 O ATOM 384 CB ASP A 26 47.372 103.578 -40.063 1.00 0.00 C ATOM 385 CG ASP A 26 47.805 103.542 -41.534 1.00 0.00 C ATOM 386 OD1 ASP A 26 48.967 103.799 -41.797 1.00 0.00 O ATOM 387 OD2 ASP A 26 46.963 103.252 -42.375 1.00 0.00 O ATOM 0 H ASP A 26 45.943 101.090 -40.109 1.00 0.00 H new ATOM 0 HA ASP A 26 48.680 102.010 -39.352 1.00 0.00 H new ATOM 0 HB2 ASP A 26 46.318 103.845 -39.992 1.00 0.00 H new ATOM 0 HB3 ASP A 26 47.932 104.346 -39.530 1.00 0.00 H new ATOM 392 N LYS A 27 46.239 101.199 -37.656 1.00 0.00 N ATOM 393 CA LYS A 27 45.600 101.156 -36.305 1.00 0.00 C ATOM 394 C LYS A 27 45.273 99.707 -35.890 1.00 0.00 C ATOM 395 O LYS A 27 45.556 98.745 -36.596 1.00 0.00 O ATOM 396 CB LYS A 27 44.287 101.961 -36.356 1.00 0.00 C ATOM 397 CG LYS A 27 44.577 103.447 -36.610 1.00 0.00 C ATOM 398 CD LYS A 27 45.296 104.040 -35.395 1.00 0.00 C ATOM 399 CE LYS A 27 45.794 105.449 -35.724 1.00 0.00 C ATOM 400 NZ LYS A 27 47.158 105.358 -36.329 1.00 0.00 N ATOM 0 H LYS A 27 46.025 100.404 -38.259 1.00 0.00 H new ATOM 0 HA LYS A 27 46.293 101.579 -35.578 1.00 0.00 H new ATOM 0 HB2 LYS A 27 43.644 101.570 -37.145 1.00 0.00 H new ATOM 0 HB3 LYS A 27 43.746 101.845 -35.417 1.00 0.00 H new ATOM 0 HG2 LYS A 27 45.193 103.561 -37.502 1.00 0.00 H new ATOM 0 HG3 LYS A 27 43.647 103.984 -36.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 44.619 104.074 -34.541 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.135 103.405 -35.112 1.00 0.00 H new ATOM 0 HE2 LYS A 27 45.108 105.938 -36.416 1.00 0.00 H new ATOM 0 HE3 LYS A 27 45.824 106.058 -34.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.233 106.030 -37.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.873 105.589 -35.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 47.319 104.392 -36.679 1.00 0.00 H new ATOM 414 N GLU A 28 44.657 99.564 -34.741 1.00 0.00 N ATOM 415 CA GLU A 28 44.268 98.217 -34.237 1.00 0.00 C ATOM 416 C GLU A 28 42.878 98.314 -33.598 1.00 0.00 C ATOM 417 O GLU A 28 42.643 99.162 -32.751 1.00 0.00 O ATOM 418 CB GLU A 28 45.282 97.750 -33.191 1.00 0.00 C ATOM 419 CG GLU A 28 44.864 96.372 -32.647 1.00 0.00 C ATOM 420 CD GLU A 28 45.733 95.993 -31.445 1.00 0.00 C ATOM 421 OE1 GLU A 28 45.774 96.765 -30.502 1.00 0.00 O ATOM 422 OE2 GLU A 28 46.339 94.935 -31.488 1.00 0.00 O ATOM 0 H GLU A 28 44.406 100.337 -34.125 1.00 0.00 H new ATOM 0 HA GLU A 28 44.249 97.502 -35.060 1.00 0.00 H new ATOM 0 HB2 GLU A 28 46.276 97.691 -33.634 1.00 0.00 H new ATOM 0 HB3 GLU A 28 45.338 98.472 -32.376 1.00 0.00 H new ATOM 0 HG2 GLU A 28 43.814 96.391 -32.354 1.00 0.00 H new ATOM 0 HG3 GLU A 28 44.963 95.619 -33.429 1.00 0.00 H new ATOM 429 N LEU A 29 41.948 97.468 -33.992 1.00 0.00 N ATOM 430 CA LEU A 29 40.576 97.545 -33.385 1.00 0.00 C ATOM 431 C LEU A 29 39.666 96.396 -33.873 1.00 0.00 C ATOM 432 O LEU A 29 39.999 95.658 -34.788 1.00 0.00 O ATOM 433 CB LEU A 29 39.969 98.928 -33.709 1.00 0.00 C ATOM 434 CG LEU A 29 39.068 98.899 -34.953 1.00 0.00 C ATOM 435 CD1 LEU A 29 38.629 100.327 -35.270 1.00 0.00 C ATOM 436 CD2 LEU A 29 39.827 98.353 -36.161 1.00 0.00 C ATOM 0 H LEU A 29 42.077 96.740 -34.695 1.00 0.00 H new ATOM 0 HA LEU A 29 40.656 97.428 -32.304 1.00 0.00 H new ATOM 0 HB2 LEU A 29 39.390 99.277 -32.854 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.774 99.647 -33.864 1.00 0.00 H new ATOM 0 HG LEU A 29 38.211 98.257 -34.750 1.00 0.00 H new ATOM 0 HD11 LEU A 29 37.988 100.323 -36.152 1.00 0.00 H new ATOM 0 HD12 LEU A 29 38.078 100.735 -34.423 1.00 0.00 H new ATOM 0 HD13 LEU A 29 39.507 100.943 -35.462 1.00 0.00 H new ATOM 0 HD21 LEU A 29 39.169 98.342 -37.030 1.00 0.00 H new ATOM 0 HD22 LEU A 29 40.689 98.988 -36.367 1.00 0.00 H new ATOM 0 HD23 LEU A 29 40.166 97.339 -35.950 1.00 0.00 H new ATOM 448 N PHE A 30 38.518 96.248 -33.245 1.00 0.00 N ATOM 449 CA PHE A 30 37.552 95.172 -33.623 1.00 0.00 C ATOM 450 C PHE A 30 36.970 95.495 -34.995 1.00 0.00 C ATOM 451 O PHE A 30 36.954 96.636 -35.425 1.00 0.00 O ATOM 452 CB PHE A 30 36.423 95.095 -32.584 1.00 0.00 C ATOM 453 CG PHE A 30 36.690 93.967 -31.612 1.00 0.00 C ATOM 454 CD1 PHE A 30 36.371 92.651 -31.965 1.00 0.00 C ATOM 455 CD2 PHE A 30 37.247 94.237 -30.357 1.00 0.00 C ATOM 456 CE1 PHE A 30 36.608 91.604 -31.066 1.00 0.00 C ATOM 457 CE2 PHE A 30 37.484 93.190 -29.455 1.00 0.00 C ATOM 458 CZ PHE A 30 37.165 91.873 -29.810 1.00 0.00 C ATOM 0 H PHE A 30 38.209 96.840 -32.474 1.00 0.00 H new ATOM 0 HA PHE A 30 38.065 94.211 -33.655 1.00 0.00 H new ATOM 0 HB2 PHE A 30 36.348 96.040 -32.046 1.00 0.00 H new ATOM 0 HB3 PHE A 30 35.468 94.937 -33.084 1.00 0.00 H new ATOM 0 HD1 PHE A 30 35.941 92.442 -32.933 1.00 0.00 H new ATOM 0 HD2 PHE A 30 37.494 95.252 -30.083 1.00 0.00 H new ATOM 0 HE1 PHE A 30 36.361 90.589 -31.341 1.00 0.00 H new ATOM 0 HE2 PHE A 30 37.913 93.399 -28.486 1.00 0.00 H new ATOM 0 HZ PHE A 30 37.348 91.066 -29.116 1.00 0.00 H new ATOM 468 N THR A 31 36.546 94.492 -35.707 1.00 0.00 N ATOM 469 CA THR A 31 36.026 94.736 -37.101 1.00 0.00 C ATOM 470 C THR A 31 34.914 93.739 -37.452 1.00 0.00 C ATOM 471 O THR A 31 35.120 92.548 -37.414 1.00 0.00 O ATOM 472 CB THR A 31 37.226 94.575 -38.056 1.00 0.00 C ATOM 473 OG1 THR A 31 36.853 93.847 -39.224 1.00 0.00 O ATOM 474 CG2 THR A 31 38.345 93.830 -37.313 1.00 0.00 C ATOM 0 H THR A 31 36.532 93.520 -35.399 1.00 0.00 H new ATOM 0 HA THR A 31 35.593 95.733 -37.184 1.00 0.00 H new ATOM 0 HB THR A 31 37.570 95.560 -38.370 1.00 0.00 H new ATOM 0 HG1 THR A 31 37.497 93.125 -39.379 1.00 0.00 H new ATOM 0 HG21 THR A 31 39.202 93.708 -37.975 1.00 0.00 H new ATOM 0 HG22 THR A 31 38.643 94.403 -36.435 1.00 0.00 H new ATOM 0 HG23 THR A 31 37.985 92.850 -37.001 1.00 0.00 H new ATOM 482 N ASN A 32 33.742 94.220 -37.804 1.00 0.00 N ATOM 483 CA ASN A 32 32.624 93.287 -38.160 1.00 0.00 C ATOM 484 C ASN A 32 31.822 93.818 -39.363 1.00 0.00 C ATOM 485 O ASN A 32 31.510 94.992 -39.452 1.00 0.00 O ATOM 486 CB ASN A 32 31.691 93.112 -36.948 1.00 0.00 C ATOM 487 CG ASN A 32 31.351 94.471 -36.327 1.00 0.00 C ATOM 488 OD1 ASN A 32 30.364 95.080 -36.676 1.00 0.00 O ATOM 489 ND2 ASN A 32 32.123 94.971 -35.406 1.00 0.00 N ATOM 0 H ASN A 32 33.513 95.212 -37.860 1.00 0.00 H new ATOM 0 HA ASN A 32 33.054 92.324 -38.435 1.00 0.00 H new ATOM 0 HB2 ASN A 32 30.775 92.608 -37.257 1.00 0.00 H new ATOM 0 HB3 ASN A 32 32.169 92.475 -36.203 1.00 0.00 H new ATOM 0 HD21 ASN A 32 31.895 95.871 -34.983 1.00 0.00 H new ATOM 0 HD22 ASN A 32 32.956 94.463 -35.108 1.00 0.00 H new ATOM 496 N ARG A 33 31.479 92.937 -40.276 1.00 0.00 N ATOM 497 CA ARG A 33 30.677 93.331 -41.482 1.00 0.00 C ATOM 498 C ARG A 33 30.039 92.077 -42.090 1.00 0.00 C ATOM 499 O ARG A 33 28.835 92.010 -42.257 1.00 0.00 O ATOM 500 CB ARG A 33 31.576 94.007 -42.530 1.00 0.00 C ATOM 501 CG ARG A 33 30.709 94.778 -43.545 1.00 0.00 C ATOM 502 CD ARG A 33 30.013 93.803 -44.506 1.00 0.00 C ATOM 503 NE ARG A 33 29.677 94.508 -45.786 1.00 0.00 N ATOM 504 CZ ARG A 33 29.040 93.894 -46.749 1.00 0.00 C ATOM 505 NH1 ARG A 33 28.538 92.710 -46.575 1.00 0.00 N ATOM 506 NH2 ARG A 33 28.891 94.485 -47.894 1.00 0.00 N ATOM 0 H ARG A 33 31.724 91.948 -40.236 1.00 0.00 H new ATOM 0 HA ARG A 33 29.903 94.037 -41.179 1.00 0.00 H new ATOM 0 HB2 ARG A 33 32.271 94.689 -42.040 1.00 0.00 H new ATOM 0 HB3 ARG A 33 32.175 93.257 -43.046 1.00 0.00 H new ATOM 0 HG2 ARG A 33 29.963 95.373 -43.018 1.00 0.00 H new ATOM 0 HG3 ARG A 33 31.330 95.473 -44.109 1.00 0.00 H new ATOM 0 HD2 ARG A 33 30.662 92.951 -44.708 1.00 0.00 H new ATOM 0 HD3 ARG A 33 29.106 93.410 -44.047 1.00 0.00 H new ATOM 0 HE ARG A 33 29.950 95.483 -45.908 1.00 0.00 H new ATOM 0 HH11 ARG A 33 28.637 92.241 -45.674 1.00 0.00 H new ATOM 0 HH12 ARG A 33 28.045 92.248 -47.339 1.00 0.00 H new ATOM 0 HH21 ARG A 33 29.269 95.421 -48.038 1.00 0.00 H new ATOM 0 HH22 ARG A 33 28.396 94.013 -48.651 1.00 0.00 H new ATOM 520 N TRP A 34 30.842 91.081 -42.417 1.00 0.00 N ATOM 521 CA TRP A 34 30.290 89.817 -43.016 1.00 0.00 C ATOM 522 C TRP A 34 31.416 88.807 -43.356 1.00 0.00 C ATOM 523 O TRP A 34 31.184 87.612 -43.379 1.00 0.00 O ATOM 524 CB TRP A 34 29.450 90.172 -44.266 1.00 0.00 C ATOM 525 CG TRP A 34 30.229 90.043 -45.547 1.00 0.00 C ATOM 526 CD1 TRP A 34 29.856 89.257 -46.581 1.00 0.00 C ATOM 527 CD2 TRP A 34 31.465 90.706 -45.969 1.00 0.00 C ATOM 528 NE1 TRP A 34 30.776 89.387 -47.601 1.00 0.00 N ATOM 529 CE2 TRP A 34 31.788 90.262 -47.273 1.00 0.00 C ATOM 530 CE3 TRP A 34 32.332 91.631 -45.358 1.00 0.00 C ATOM 531 CZ2 TRP A 34 32.921 90.716 -47.945 1.00 0.00 C ATOM 532 CZ3 TRP A 34 33.475 92.091 -46.031 1.00 0.00 C ATOM 533 CH2 TRP A 34 33.770 91.633 -47.321 1.00 0.00 C ATOM 0 H TRP A 34 31.855 91.091 -42.294 1.00 0.00 H new ATOM 0 HA TRP A 34 29.648 89.329 -42.283 1.00 0.00 H new ATOM 0 HB2 TRP A 34 28.578 89.520 -44.309 1.00 0.00 H new ATOM 0 HB3 TRP A 34 29.080 91.193 -44.172 1.00 0.00 H new ATOM 0 HD1 TRP A 34 28.978 88.628 -46.605 1.00 0.00 H new ATOM 0 HE1 TRP A 34 30.714 88.894 -48.492 1.00 0.00 H new ATOM 0 HE3 TRP A 34 32.116 91.990 -44.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 33.141 90.361 -48.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 34.131 92.802 -45.551 1.00 0.00 H new ATOM 0 HH2 TRP A 34 34.652 91.988 -47.833 1.00 0.00 H new ATOM 544 N ASN A 35 32.624 89.273 -43.606 1.00 0.00 N ATOM 545 CA ASN A 35 33.760 88.349 -43.933 1.00 0.00 C ATOM 546 C ASN A 35 35.032 89.176 -44.200 1.00 0.00 C ATOM 547 O ASN A 35 35.521 89.253 -45.315 1.00 0.00 O ATOM 548 CB ASN A 35 33.418 87.516 -45.176 1.00 0.00 C ATOM 549 CG ASN A 35 34.279 86.252 -45.189 1.00 0.00 C ATOM 550 OD1 ASN A 35 35.376 86.249 -45.710 1.00 0.00 O ATOM 551 ND2 ASN A 35 33.831 85.168 -44.626 1.00 0.00 N ATOM 0 H ASN A 35 32.870 90.263 -43.597 1.00 0.00 H new ATOM 0 HA ASN A 35 33.930 87.678 -43.091 1.00 0.00 H new ATOM 0 HB2 ASN A 35 32.361 87.250 -45.170 1.00 0.00 H new ATOM 0 HB3 ASN A 35 33.595 88.100 -46.079 1.00 0.00 H new ATOM 0 HD21 ASN A 35 34.400 84.322 -44.624 1.00 0.00 H new ATOM 0 HD22 ASN A 35 32.910 85.164 -44.187 1.00 0.00 H new ATOM 558 N LEU A 36 35.573 89.794 -43.178 1.00 0.00 N ATOM 559 CA LEU A 36 36.815 90.615 -43.359 1.00 0.00 C ATOM 560 C LEU A 36 38.052 89.699 -43.426 1.00 0.00 C ATOM 561 O LEU A 36 39.097 90.098 -43.916 1.00 0.00 O ATOM 562 CB LEU A 36 36.949 91.601 -42.192 1.00 0.00 C ATOM 563 CG LEU A 36 36.515 92.998 -42.653 1.00 0.00 C ATOM 564 CD1 LEU A 36 35.254 93.419 -41.902 1.00 0.00 C ATOM 565 CD2 LEU A 36 37.629 94.008 -42.368 1.00 0.00 C ATOM 0 H LEU A 36 35.209 89.766 -42.225 1.00 0.00 H new ATOM 0 HA LEU A 36 36.746 91.172 -44.294 1.00 0.00 H new ATOM 0 HB2 LEU A 36 36.333 91.275 -41.354 1.00 0.00 H new ATOM 0 HB3 LEU A 36 37.980 91.626 -41.839 1.00 0.00 H new ATOM 0 HG LEU A 36 36.313 92.971 -43.724 1.00 0.00 H new ATOM 0 HD11 LEU A 36 34.948 94.412 -42.232 1.00 0.00 H new ATOM 0 HD12 LEU A 36 34.454 92.707 -42.106 1.00 0.00 H new ATOM 0 HD13 LEU A 36 35.458 93.439 -40.831 1.00 0.00 H new ATOM 0 HD21 LEU A 36 37.315 94.998 -42.698 1.00 0.00 H new ATOM 0 HD22 LEU A 36 37.835 94.030 -41.298 1.00 0.00 H new ATOM 0 HD23 LEU A 36 38.531 93.716 -42.905 1.00 0.00 H new ATOM 577 N GLN A 37 37.937 88.474 -42.951 1.00 0.00 N ATOM 578 CA GLN A 37 39.090 87.518 -42.996 1.00 0.00 C ATOM 579 C GLN A 37 39.636 87.445 -44.425 1.00 0.00 C ATOM 580 O GLN A 37 40.826 87.579 -44.654 1.00 0.00 O ATOM 581 CB GLN A 37 38.603 86.127 -42.581 1.00 0.00 C ATOM 582 CG GLN A 37 38.849 85.913 -41.089 1.00 0.00 C ATOM 583 CD GLN A 37 38.722 84.425 -40.766 1.00 0.00 C ATOM 584 OE1 GLN A 37 39.696 83.705 -40.796 1.00 0.00 O ATOM 585 NE2 GLN A 37 37.560 83.927 -40.455 1.00 0.00 N ATOM 0 H GLN A 37 37.087 88.097 -42.532 1.00 0.00 H new ATOM 0 HA GLN A 37 39.873 87.859 -42.319 1.00 0.00 H new ATOM 0 HB2 GLN A 37 37.541 86.023 -42.802 1.00 0.00 H new ATOM 0 HB3 GLN A 37 39.124 85.363 -43.158 1.00 0.00 H new ATOM 0 HG2 GLN A 37 39.841 86.273 -40.817 1.00 0.00 H new ATOM 0 HG3 GLN A 37 38.130 86.487 -40.504 1.00 0.00 H new ATOM 0 HE21 GLN A 37 36.737 84.530 -40.429 1.00 0.00 H new ATOM 0 HE22 GLN A 37 37.472 82.934 -40.238 1.00 0.00 H new ATOM 594 N SER A 38 38.761 87.235 -45.381 1.00 0.00 N ATOM 595 CA SER A 38 39.182 87.149 -46.816 1.00 0.00 C ATOM 596 C SER A 38 39.985 88.400 -47.206 1.00 0.00 C ATOM 597 O SER A 38 40.954 88.316 -47.945 1.00 0.00 O ATOM 598 CB SER A 38 37.933 87.048 -47.695 1.00 0.00 C ATOM 599 OG SER A 38 38.304 86.589 -48.989 1.00 0.00 O ATOM 0 H SER A 38 37.760 87.118 -45.225 1.00 0.00 H new ATOM 0 HA SER A 38 39.810 86.269 -46.958 1.00 0.00 H new ATOM 0 HB2 SER A 38 37.213 86.363 -47.246 1.00 0.00 H new ATOM 0 HB3 SER A 38 37.446 88.020 -47.767 1.00 0.00 H new ATOM 0 HG SER A 38 37.506 86.522 -49.554 1.00 0.00 H new ATOM 605 N LEU A 39 39.595 89.553 -46.713 1.00 0.00 N ATOM 606 CA LEU A 39 40.328 90.816 -47.045 1.00 0.00 C ATOM 607 C LEU A 39 41.690 90.820 -46.341 1.00 0.00 C ATOM 608 O LEU A 39 42.700 91.135 -46.942 1.00 0.00 O ATOM 609 CB LEU A 39 39.498 92.024 -46.586 1.00 0.00 C ATOM 610 CG LEU A 39 38.431 92.343 -47.637 1.00 0.00 C ATOM 611 CD1 LEU A 39 37.374 91.238 -47.657 1.00 0.00 C ATOM 612 CD2 LEU A 39 37.762 93.673 -47.293 1.00 0.00 C ATOM 0 H LEU A 39 38.795 89.673 -46.091 1.00 0.00 H new ATOM 0 HA LEU A 39 40.484 90.876 -48.122 1.00 0.00 H new ATOM 0 HB2 LEU A 39 39.026 91.810 -45.627 1.00 0.00 H new ATOM 0 HB3 LEU A 39 40.146 92.888 -46.437 1.00 0.00 H new ATOM 0 HG LEU A 39 38.903 92.409 -48.617 1.00 0.00 H new ATOM 0 HD11 LEU A 39 36.618 91.471 -48.407 1.00 0.00 H new ATOM 0 HD12 LEU A 39 37.847 90.287 -47.902 1.00 0.00 H new ATOM 0 HD13 LEU A 39 36.903 91.167 -46.677 1.00 0.00 H new ATOM 0 HD21 LEU A 39 37.002 93.902 -48.040 1.00 0.00 H new ATOM 0 HD22 LEU A 39 37.295 93.602 -46.311 1.00 0.00 H new ATOM 0 HD23 LEU A 39 38.511 94.465 -47.283 1.00 0.00 H new ATOM 624 N LEU A 40 41.731 90.457 -45.080 1.00 0.00 N ATOM 625 CA LEU A 40 43.042 90.427 -44.351 1.00 0.00 C ATOM 626 C LEU A 40 43.959 89.383 -45.001 1.00 0.00 C ATOM 627 O LEU A 40 45.152 89.590 -45.145 1.00 0.00 O ATOM 628 CB LEU A 40 42.803 90.055 -42.886 1.00 0.00 C ATOM 629 CG LEU A 40 42.042 91.181 -42.187 1.00 0.00 C ATOM 630 CD1 LEU A 40 41.325 90.620 -40.961 1.00 0.00 C ATOM 631 CD2 LEU A 40 43.026 92.267 -41.750 1.00 0.00 C ATOM 0 H LEU A 40 40.920 90.182 -44.526 1.00 0.00 H new ATOM 0 HA LEU A 40 43.512 91.409 -44.403 1.00 0.00 H new ATOM 0 HB2 LEU A 40 42.236 89.126 -42.824 1.00 0.00 H new ATOM 0 HB3 LEU A 40 43.755 89.881 -42.385 1.00 0.00 H new ATOM 0 HG LEU A 40 41.312 91.609 -42.873 1.00 0.00 H new ATOM 0 HD11 LEU A 40 40.781 91.421 -40.460 1.00 0.00 H new ATOM 0 HD12 LEU A 40 40.625 89.845 -41.272 1.00 0.00 H new ATOM 0 HD13 LEU A 40 42.057 90.194 -40.275 1.00 0.00 H new ATOM 0 HD21 LEU A 40 42.484 93.070 -41.251 1.00 0.00 H new ATOM 0 HD22 LEU A 40 43.756 91.841 -41.062 1.00 0.00 H new ATOM 0 HD23 LEU A 40 43.541 92.665 -42.625 1.00 0.00 H new ATOM 643 N LEU A 41 43.395 88.263 -45.391 1.00 0.00 N ATOM 644 CA LEU A 41 44.194 87.178 -46.038 1.00 0.00 C ATOM 645 C LEU A 41 44.618 87.608 -47.448 1.00 0.00 C ATOM 646 O LEU A 41 45.789 87.800 -47.711 1.00 0.00 O ATOM 647 CB LEU A 41 43.337 85.907 -46.119 1.00 0.00 C ATOM 648 CG LEU A 41 43.720 84.953 -44.988 1.00 0.00 C ATOM 649 CD1 LEU A 41 43.610 85.676 -43.645 1.00 0.00 C ATOM 650 CD2 LEU A 41 42.771 83.755 -44.994 1.00 0.00 C ATOM 0 H LEU A 41 42.402 88.055 -45.286 1.00 0.00 H new ATOM 0 HA LEU A 41 45.089 86.983 -45.447 1.00 0.00 H new ATOM 0 HB2 LEU A 41 42.280 86.165 -46.048 1.00 0.00 H new ATOM 0 HB3 LEU A 41 43.482 85.420 -47.083 1.00 0.00 H new ATOM 0 HG LEU A 41 44.745 84.613 -45.134 1.00 0.00 H new ATOM 0 HD11 LEU A 41 43.884 84.993 -42.841 1.00 0.00 H new ATOM 0 HD12 LEU A 41 44.283 86.534 -43.637 1.00 0.00 H new ATOM 0 HD13 LEU A 41 42.585 86.017 -43.498 1.00 0.00 H new ATOM 0 HD21 LEU A 41 43.042 83.072 -44.188 1.00 0.00 H new ATOM 0 HD22 LEU A 41 41.748 84.101 -44.848 1.00 0.00 H new ATOM 0 HD23 LEU A 41 42.846 83.236 -45.950 1.00 0.00 H new ATOM 662 N SER A 42 43.671 87.769 -48.349 1.00 0.00 N ATOM 663 CA SER A 42 44.003 88.194 -49.754 1.00 0.00 C ATOM 664 C SER A 42 44.996 89.364 -49.734 1.00 0.00 C ATOM 665 O SER A 42 45.879 89.453 -50.574 1.00 0.00 O ATOM 666 CB SER A 42 42.723 88.622 -50.479 1.00 0.00 C ATOM 667 OG SER A 42 42.020 89.571 -49.685 1.00 0.00 O ATOM 0 H SER A 42 42.677 87.624 -48.171 1.00 0.00 H new ATOM 0 HA SER A 42 44.456 87.353 -50.278 1.00 0.00 H new ATOM 0 HB2 SER A 42 42.969 89.055 -51.448 1.00 0.00 H new ATOM 0 HB3 SER A 42 42.093 87.753 -50.669 1.00 0.00 H new ATOM 0 HG SER A 42 41.283 89.125 -49.218 1.00 0.00 H new ATOM 673 N ALA A 43 44.860 90.255 -48.779 1.00 0.00 N ATOM 674 CA ALA A 43 45.792 91.418 -48.685 1.00 0.00 C ATOM 675 C ALA A 43 47.225 90.919 -48.483 1.00 0.00 C ATOM 676 O ALA A 43 48.044 91.043 -49.354 1.00 0.00 O ATOM 677 CB ALA A 43 45.392 92.296 -47.492 1.00 0.00 C ATOM 0 H ALA A 43 44.139 90.224 -48.058 1.00 0.00 H new ATOM 0 HA ALA A 43 45.736 91.998 -49.606 1.00 0.00 H new ATOM 0 HB1 ALA A 43 46.071 93.146 -47.422 1.00 0.00 H new ATOM 0 HB2 ALA A 43 44.373 92.657 -47.631 1.00 0.00 H new ATOM 0 HB3 ALA A 43 45.447 91.710 -46.574 1.00 0.00 H new ATOM 683 N GLN A 44 47.521 90.351 -47.340 1.00 0.00 N ATOM 684 CA GLN A 44 48.895 89.839 -47.049 1.00 0.00 C ATOM 685 C GLN A 44 49.311 88.809 -48.100 1.00 0.00 C ATOM 686 O GLN A 44 50.462 88.745 -48.489 1.00 0.00 O ATOM 687 CB GLN A 44 48.905 89.189 -45.659 1.00 0.00 C ATOM 688 CG GLN A 44 49.857 89.956 -44.734 1.00 0.00 C ATOM 689 CD GLN A 44 51.262 89.352 -44.815 1.00 0.00 C ATOM 690 OE1 GLN A 44 51.776 88.856 -43.835 1.00 0.00 O ATOM 691 NE2 GLN A 44 51.912 89.375 -45.944 1.00 0.00 N ATOM 0 H GLN A 44 46.853 90.218 -46.581 1.00 0.00 H new ATOM 0 HA GLN A 44 49.600 90.670 -47.075 1.00 0.00 H new ATOM 0 HB2 GLN A 44 47.899 89.188 -45.240 1.00 0.00 H new ATOM 0 HB3 GLN A 44 49.219 88.148 -45.736 1.00 0.00 H new ATOM 0 HG2 GLN A 44 49.887 91.008 -45.020 1.00 0.00 H new ATOM 0 HG3 GLN A 44 49.493 89.915 -43.708 1.00 0.00 H new ATOM 0 HE21 GLN A 44 51.483 89.791 -46.771 1.00 0.00 H new ATOM 0 HE22 GLN A 44 52.849 88.977 -46.001 1.00 0.00 H new ATOM 700 N ILE A 45 48.384 88.009 -48.559 1.00 0.00 N ATOM 701 CA ILE A 45 48.721 86.983 -49.587 1.00 0.00 C ATOM 702 C ILE A 45 49.216 87.683 -50.858 1.00 0.00 C ATOM 703 O ILE A 45 50.284 87.394 -51.365 1.00 0.00 O ATOM 704 CB ILE A 45 47.474 86.167 -49.924 1.00 0.00 C ATOM 705 CG1 ILE A 45 47.044 85.341 -48.708 1.00 0.00 C ATOM 706 CG2 ILE A 45 47.777 85.220 -51.088 1.00 0.00 C ATOM 707 CD1 ILE A 45 45.749 84.590 -49.029 1.00 0.00 C ATOM 0 H ILE A 45 47.407 88.023 -48.265 1.00 0.00 H new ATOM 0 HA ILE A 45 49.497 86.324 -49.198 1.00 0.00 H new ATOM 0 HB ILE A 45 46.671 86.850 -50.202 1.00 0.00 H new ATOM 0 HG12 ILE A 45 47.829 84.634 -48.440 1.00 0.00 H new ATOM 0 HG13 ILE A 45 46.894 85.993 -47.847 1.00 0.00 H new ATOM 0 HG21 ILE A 45 46.886 84.639 -51.326 1.00 0.00 H new ATOM 0 HG22 ILE A 45 48.076 85.800 -51.961 1.00 0.00 H new ATOM 0 HG23 ILE A 45 48.585 84.545 -50.807 1.00 0.00 H new ATOM 0 HD11 ILE A 45 45.445 84.003 -48.163 1.00 0.00 H new ATOM 0 HD12 ILE A 45 44.965 85.306 -49.276 1.00 0.00 H new ATOM 0 HD13 ILE A 45 45.914 83.926 -49.877 1.00 0.00 H new ATOM 719 N THR A 46 48.428 88.602 -51.368 1.00 0.00 N ATOM 720 CA THR A 46 48.813 89.352 -52.608 1.00 0.00 C ATOM 721 C THR A 46 49.822 90.446 -52.245 1.00 0.00 C ATOM 722 O THR A 46 50.743 90.727 -52.989 1.00 0.00 O ATOM 723 CB THR A 46 47.565 89.997 -53.237 1.00 0.00 C ATOM 724 OG1 THR A 46 46.939 90.872 -52.306 1.00 0.00 O ATOM 725 CG2 THR A 46 46.577 88.907 -53.652 1.00 0.00 C ATOM 0 H THR A 46 47.525 88.867 -50.974 1.00 0.00 H new ATOM 0 HA THR A 46 49.259 88.661 -53.323 1.00 0.00 H new ATOM 0 HB THR A 46 47.870 90.569 -54.113 1.00 0.00 H new ATOM 0 HG1 THR A 46 46.236 90.388 -51.825 1.00 0.00 H new ATOM 0 HG21 THR A 46 45.694 89.366 -54.097 1.00 0.00 H new ATOM 0 HG22 THR A 46 47.048 88.247 -54.380 1.00 0.00 H new ATOM 0 HG23 THR A 46 46.283 88.330 -52.775 1.00 0.00 H new ATOM 733 N GLY A 47 49.644 91.055 -51.103 1.00 0.00 N ATOM 734 CA GLY A 47 50.567 92.135 -50.648 1.00 0.00 C ATOM 735 C GLY A 47 50.454 92.281 -49.138 1.00 0.00 C ATOM 736 O GLY A 47 51.074 91.542 -48.404 1.00 0.00 O ATOM 0 H GLY A 47 48.884 90.846 -50.455 1.00 0.00 H new ATOM 0 HA2 GLY A 47 51.593 91.895 -50.927 1.00 0.00 H new ATOM 0 HA3 GLY A 47 50.315 93.076 -51.137 1.00 0.00 H new ATOM 740 N MET A 48 49.633 93.212 -48.694 1.00 0.00 N ATOM 741 CA MET A 48 49.390 93.453 -47.223 1.00 0.00 C ATOM 742 C MET A 48 49.249 94.956 -46.940 1.00 0.00 C ATOM 743 O MET A 48 50.003 95.523 -46.174 1.00 0.00 O ATOM 744 CB MET A 48 50.515 92.883 -46.335 1.00 0.00 C ATOM 745 CG MET A 48 51.857 93.563 -46.647 1.00 0.00 C ATOM 746 SD MET A 48 53.210 92.501 -46.082 1.00 0.00 S ATOM 747 CE MET A 48 52.955 92.727 -44.305 1.00 0.00 C ATOM 0 H MET A 48 49.105 93.834 -49.307 1.00 0.00 H new ATOM 0 HA MET A 48 48.465 92.932 -46.975 1.00 0.00 H new ATOM 0 HB2 MET A 48 50.264 93.029 -45.284 1.00 0.00 H new ATOM 0 HB3 MET A 48 50.601 91.808 -46.495 1.00 0.00 H new ATOM 0 HG2 MET A 48 51.945 93.745 -47.718 1.00 0.00 H new ATOM 0 HG3 MET A 48 51.910 94.533 -46.153 1.00 0.00 H new ATOM 0 HE1 MET A 48 53.804 92.314 -43.760 1.00 0.00 H new ATOM 0 HE2 MET A 48 52.864 93.790 -44.083 1.00 0.00 H new ATOM 0 HE3 MET A 48 52.043 92.214 -44.000 1.00 0.00 H new ATOM 757 N THR A 49 48.279 95.608 -47.531 1.00 0.00 N ATOM 758 CA THR A 49 48.087 97.069 -47.257 1.00 0.00 C ATOM 759 C THR A 49 46.856 97.580 -48.012 1.00 0.00 C ATOM 760 O THR A 49 46.948 98.378 -48.932 1.00 0.00 O ATOM 761 CB THR A 49 49.356 97.859 -47.637 1.00 0.00 C ATOM 762 OG1 THR A 49 49.091 99.255 -47.553 1.00 0.00 O ATOM 763 CG2 THR A 49 49.798 97.504 -49.057 1.00 0.00 C ATOM 0 H THR A 49 47.615 95.197 -48.187 1.00 0.00 H new ATOM 0 HA THR A 49 47.917 97.218 -46.191 1.00 0.00 H new ATOM 0 HB THR A 49 50.156 97.596 -46.944 1.00 0.00 H new ATOM 0 HG1 THR A 49 48.425 99.503 -48.228 1.00 0.00 H new ATOM 0 HG21 THR A 49 50.695 98.069 -49.311 1.00 0.00 H new ATOM 0 HG22 THR A 49 50.013 96.437 -49.115 1.00 0.00 H new ATOM 0 HG23 THR A 49 49.002 97.752 -49.759 1.00 0.00 H new ATOM 771 N VAL A 50 45.698 97.114 -47.606 1.00 0.00 N ATOM 772 CA VAL A 50 44.417 97.540 -48.256 1.00 0.00 C ATOM 773 C VAL A 50 44.027 98.934 -47.744 1.00 0.00 C ATOM 774 O VAL A 50 44.875 99.728 -47.369 1.00 0.00 O ATOM 775 CB VAL A 50 43.310 96.520 -47.910 1.00 0.00 C ATOM 776 CG1 VAL A 50 43.843 95.112 -48.071 1.00 0.00 C ATOM 777 CG2 VAL A 50 42.846 96.705 -46.469 1.00 0.00 C ATOM 0 H VAL A 50 45.585 96.448 -46.842 1.00 0.00 H new ATOM 0 HA VAL A 50 44.543 97.580 -49.338 1.00 0.00 H new ATOM 0 HB VAL A 50 42.470 96.683 -48.585 1.00 0.00 H new ATOM 0 HG11 VAL A 50 43.059 94.396 -47.826 1.00 0.00 H new ATOM 0 HG12 VAL A 50 44.164 94.960 -49.102 1.00 0.00 H new ATOM 0 HG13 VAL A 50 44.691 94.965 -47.402 1.00 0.00 H new ATOM 0 HG21 VAL A 50 42.066 95.978 -46.242 1.00 0.00 H new ATOM 0 HG22 VAL A 50 43.688 96.556 -45.794 1.00 0.00 H new ATOM 0 HG23 VAL A 50 42.452 97.713 -46.340 1.00 0.00 H new ATOM 787 N THR A 51 42.755 99.237 -47.705 1.00 0.00 N ATOM 788 CA THR A 51 42.319 100.559 -47.188 1.00 0.00 C ATOM 789 C THR A 51 41.201 100.350 -46.165 1.00 0.00 C ATOM 790 O THR A 51 40.129 99.904 -46.508 1.00 0.00 O ATOM 791 CB THR A 51 41.822 101.456 -48.336 1.00 0.00 C ATOM 792 OG1 THR A 51 42.813 101.542 -49.351 1.00 0.00 O ATOM 793 CG2 THR A 51 41.520 102.860 -47.808 1.00 0.00 C ATOM 0 H THR A 51 42.001 98.621 -48.011 1.00 0.00 H new ATOM 0 HA THR A 51 43.166 101.054 -46.714 1.00 0.00 H new ATOM 0 HB THR A 51 40.914 101.020 -48.752 1.00 0.00 H new ATOM 0 HG1 THR A 51 42.560 102.233 -49.998 1.00 0.00 H new ATOM 0 HG21 THR A 51 41.169 103.489 -48.626 1.00 0.00 H new ATOM 0 HG22 THR A 51 40.750 102.802 -47.039 1.00 0.00 H new ATOM 0 HG23 THR A 51 42.426 103.291 -47.382 1.00 0.00 H new ATOM 801 N ILE A 52 41.449 100.673 -44.915 1.00 0.00 N ATOM 802 CA ILE A 52 40.397 100.496 -43.848 1.00 0.00 C ATOM 803 C ILE A 52 39.696 101.836 -43.600 1.00 0.00 C ATOM 804 O ILE A 52 40.342 102.857 -43.410 1.00 0.00 O ATOM 805 CB ILE A 52 41.048 100.007 -42.545 1.00 0.00 C ATOM 806 CG1 ILE A 52 41.906 98.768 -42.825 1.00 0.00 C ATOM 807 CG2 ILE A 52 39.963 99.642 -41.525 1.00 0.00 C ATOM 808 CD1 ILE A 52 41.074 97.709 -43.545 1.00 0.00 C ATOM 0 H ILE A 52 42.336 101.053 -44.583 1.00 0.00 H new ATOM 0 HA ILE A 52 39.668 99.757 -44.180 1.00 0.00 H new ATOM 0 HB ILE A 52 41.674 100.804 -42.145 1.00 0.00 H new ATOM 0 HG12 ILE A 52 42.767 99.042 -43.434 1.00 0.00 H new ATOM 0 HG13 ILE A 52 42.293 98.364 -41.889 1.00 0.00 H new ATOM 0 HG21 ILE A 52 40.431 99.296 -40.604 1.00 0.00 H new ATOM 0 HG22 ILE A 52 39.352 100.520 -41.314 1.00 0.00 H new ATOM 0 HG23 ILE A 52 39.333 98.850 -41.931 1.00 0.00 H new ATOM 0 HD11 ILE A 52 41.691 96.832 -43.740 1.00 0.00 H new ATOM 0 HD12 ILE A 52 40.227 97.425 -42.920 1.00 0.00 H new ATOM 0 HD13 ILE A 52 40.709 98.113 -44.489 1.00 0.00 H new ATOM 820 N LYS A 53 38.378 101.856 -43.619 1.00 0.00 N ATOM 821 CA LYS A 53 37.661 103.155 -43.416 1.00 0.00 C ATOM 822 C LYS A 53 36.189 102.982 -43.023 1.00 0.00 C ATOM 823 O LYS A 53 35.656 101.886 -42.985 1.00 0.00 O ATOM 824 CB LYS A 53 37.701 103.928 -44.729 1.00 0.00 C ATOM 825 CG LYS A 53 37.282 103.026 -45.891 1.00 0.00 C ATOM 826 CD LYS A 53 36.650 103.889 -46.984 1.00 0.00 C ATOM 827 CE LYS A 53 36.998 103.338 -48.366 1.00 0.00 C ATOM 828 NZ LYS A 53 36.293 104.159 -49.390 1.00 0.00 N ATOM 0 H LYS A 53 37.780 101.042 -43.764 1.00 0.00 H new ATOM 0 HA LYS A 53 38.162 103.676 -42.600 1.00 0.00 H new ATOM 0 HB2 LYS A 53 37.036 104.790 -44.671 1.00 0.00 H new ATOM 0 HB3 LYS A 53 38.706 104.312 -44.902 1.00 0.00 H new ATOM 0 HG2 LYS A 53 38.147 102.492 -46.285 1.00 0.00 H new ATOM 0 HG3 LYS A 53 36.572 102.273 -45.547 1.00 0.00 H new ATOM 0 HD2 LYS A 53 35.568 103.913 -46.857 1.00 0.00 H new ATOM 0 HD3 LYS A 53 37.004 104.916 -46.895 1.00 0.00 H new ATOM 0 HE2 LYS A 53 38.075 103.373 -48.528 1.00 0.00 H new ATOM 0 HE3 LYS A 53 36.697 102.293 -48.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 36.748 104.025 -50.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 35.298 103.863 -49.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 36.341 105.163 -49.123 1.00 0.00 H new ATOM 842 N THR A 54 35.531 104.104 -42.776 1.00 0.00 N ATOM 843 CA THR A 54 34.067 104.132 -42.422 1.00 0.00 C ATOM 844 C THR A 54 33.793 103.516 -41.044 1.00 0.00 C ATOM 845 O THR A 54 34.604 102.797 -40.484 1.00 0.00 O ATOM 846 CB THR A 54 33.237 103.408 -43.499 1.00 0.00 C ATOM 847 OG1 THR A 54 33.313 101.998 -43.322 1.00 0.00 O ATOM 848 CG2 THR A 54 33.763 103.782 -44.886 1.00 0.00 C ATOM 0 H THR A 54 35.965 105.026 -42.807 1.00 0.00 H new ATOM 0 HA THR A 54 33.768 105.179 -42.380 1.00 0.00 H new ATOM 0 HB THR A 54 32.195 103.716 -43.406 1.00 0.00 H new ATOM 0 HG1 THR A 54 34.184 101.676 -43.634 1.00 0.00 H new ATOM 0 HG21 THR A 54 33.176 103.270 -45.648 1.00 0.00 H new ATOM 0 HG22 THR A 54 33.681 104.860 -45.028 1.00 0.00 H new ATOM 0 HG23 THR A 54 34.808 103.484 -44.972 1.00 0.00 H new ATOM 856 N ASN A 55 32.632 103.813 -40.504 1.00 0.00 N ATOM 857 CA ASN A 55 32.229 103.282 -39.165 1.00 0.00 C ATOM 858 C ASN A 55 33.259 103.680 -38.091 1.00 0.00 C ATOM 859 O ASN A 55 33.780 102.842 -37.384 1.00 0.00 O ATOM 860 CB ASN A 55 32.095 101.755 -39.240 1.00 0.00 C ATOM 861 CG ASN A 55 31.263 101.250 -38.058 1.00 0.00 C ATOM 862 OD1 ASN A 55 31.773 100.586 -37.184 1.00 0.00 O ATOM 863 ND2 ASN A 55 29.993 101.534 -37.993 1.00 0.00 N ATOM 0 H ASN A 55 31.936 104.413 -40.946 1.00 0.00 H new ATOM 0 HA ASN A 55 31.268 103.713 -38.886 1.00 0.00 H new ATOM 0 HB2 ASN A 55 31.622 101.468 -40.179 1.00 0.00 H new ATOM 0 HB3 ASN A 55 33.082 101.293 -39.226 1.00 0.00 H new ATOM 0 HD21 ASN A 55 29.435 101.197 -37.209 1.00 0.00 H new ATOM 0 HD22 ASN A 55 29.557 102.093 -38.726 1.00 0.00 H new ATOM 870 N ALA A 56 33.548 104.959 -37.968 1.00 0.00 N ATOM 871 CA ALA A 56 34.527 105.443 -36.930 1.00 0.00 C ATOM 872 C ALA A 56 35.969 105.110 -37.328 1.00 0.00 C ATOM 873 O ALA A 56 36.810 105.985 -37.404 1.00 0.00 O ATOM 874 CB ALA A 56 34.215 104.783 -35.579 1.00 0.00 C ATOM 0 H ALA A 56 33.144 105.695 -38.547 1.00 0.00 H new ATOM 0 HA ALA A 56 34.429 106.526 -36.853 1.00 0.00 H new ATOM 0 HB1 ALA A 56 34.924 105.135 -34.830 1.00 0.00 H new ATOM 0 HB2 ALA A 56 33.203 105.045 -35.271 1.00 0.00 H new ATOM 0 HB3 ALA A 56 34.296 103.700 -35.676 1.00 0.00 H new ATOM 880 N CYS A 57 36.260 103.848 -37.557 1.00 0.00 N ATOM 881 CA CYS A 57 37.652 103.427 -37.929 1.00 0.00 C ATOM 882 C CYS A 57 38.580 103.564 -36.702 1.00 0.00 C ATOM 883 O CYS A 57 39.781 103.719 -36.824 1.00 0.00 O ATOM 884 CB CYS A 57 38.147 104.298 -39.090 1.00 0.00 C ATOM 885 SG CYS A 57 39.825 103.829 -39.563 1.00 0.00 S ATOM 0 H CYS A 57 35.585 103.085 -37.501 1.00 0.00 H new ATOM 0 HA CYS A 57 37.656 102.384 -38.246 1.00 0.00 H new ATOM 0 HB2 CYS A 57 37.479 104.190 -39.944 1.00 0.00 H new ATOM 0 HB3 CYS A 57 38.125 105.348 -38.799 1.00 0.00 H new ATOM 890 N HIS A 58 38.020 103.488 -35.515 1.00 0.00 N ATOM 891 CA HIS A 58 38.836 103.596 -34.264 1.00 0.00 C ATOM 892 C HIS A 58 38.094 102.879 -33.129 1.00 0.00 C ATOM 893 O HIS A 58 36.998 103.263 -32.768 1.00 0.00 O ATOM 894 CB HIS A 58 39.024 105.078 -33.908 1.00 0.00 C ATOM 895 CG HIS A 58 40.457 105.481 -34.119 1.00 0.00 C ATOM 896 ND1 HIS A 58 41.369 105.535 -33.078 1.00 0.00 N ATOM 897 CD2 HIS A 58 41.146 105.865 -35.241 1.00 0.00 C ATOM 898 CE1 HIS A 58 42.545 105.943 -33.590 1.00 0.00 C ATOM 899 NE2 HIS A 58 42.465 106.157 -34.906 1.00 0.00 N ATOM 0 H HIS A 58 37.021 103.354 -35.360 1.00 0.00 H new ATOM 0 HA HIS A 58 39.814 103.137 -34.411 1.00 0.00 H new ATOM 0 HB2 HIS A 58 38.370 105.694 -34.525 1.00 0.00 H new ATOM 0 HB3 HIS A 58 38.738 105.250 -32.870 1.00 0.00 H new ATOM 0 HD2 HIS A 58 40.728 105.931 -36.235 1.00 0.00 H new ATOM 0 HE1 HIS A 58 43.444 106.081 -33.008 1.00 0.00 H new ATOM 0 HE2 HIS A 58 43.209 106.467 -35.530 1.00 0.00 H new ATOM 907 N ASN A 59 38.671 101.826 -32.583 1.00 0.00 N ATOM 908 CA ASN A 59 37.986 101.058 -31.488 1.00 0.00 C ATOM 909 C ASN A 59 36.628 100.561 -32.017 1.00 0.00 C ATOM 910 O ASN A 59 35.599 101.182 -31.811 1.00 0.00 O ATOM 911 CB ASN A 59 37.786 101.965 -30.267 1.00 0.00 C ATOM 912 CG ASN A 59 37.371 101.116 -29.066 1.00 0.00 C ATOM 913 OD1 ASN A 59 38.115 100.268 -28.620 1.00 0.00 O ATOM 914 ND2 ASN A 59 36.207 101.302 -28.521 1.00 0.00 N ATOM 0 H ASN A 59 39.588 101.467 -32.850 1.00 0.00 H new ATOM 0 HA ASN A 59 38.594 100.206 -31.186 1.00 0.00 H new ATOM 0 HB2 ASN A 59 38.708 102.503 -30.045 1.00 0.00 H new ATOM 0 HB3 ASN A 59 37.023 102.714 -30.478 1.00 0.00 H new ATOM 0 HD21 ASN A 59 35.922 100.736 -27.722 1.00 0.00 H new ATOM 0 HD22 ASN A 59 35.578 102.014 -28.892 1.00 0.00 H new ATOM 921 N GLY A 60 36.633 99.461 -32.736 1.00 0.00 N ATOM 922 CA GLY A 60 35.365 98.937 -33.333 1.00 0.00 C ATOM 923 C GLY A 60 35.014 99.843 -34.514 1.00 0.00 C ATOM 924 O GLY A 60 34.057 100.590 -34.469 1.00 0.00 O ATOM 0 H GLY A 60 37.464 98.904 -32.934 1.00 0.00 H new ATOM 0 HA2 GLY A 60 35.492 97.906 -33.663 1.00 0.00 H new ATOM 0 HA3 GLY A 60 34.563 98.938 -32.595 1.00 0.00 H new ATOM 928 N GLY A 61 35.812 99.805 -35.558 1.00 0.00 N ATOM 929 CA GLY A 61 35.560 100.694 -36.738 1.00 0.00 C ATOM 930 C GLY A 61 35.735 99.928 -38.054 1.00 0.00 C ATOM 931 O GLY A 61 35.957 98.732 -38.061 1.00 0.00 O ATOM 0 H GLY A 61 36.626 99.197 -35.643 1.00 0.00 H new ATOM 0 HA2 GLY A 61 34.550 101.100 -36.682 1.00 0.00 H new ATOM 0 HA3 GLY A 61 36.246 101.541 -36.712 1.00 0.00 H new ATOM 935 N GLY A 62 35.636 100.618 -39.171 1.00 0.00 N ATOM 936 CA GLY A 62 35.792 99.946 -40.502 1.00 0.00 C ATOM 937 C GLY A 62 34.631 98.975 -40.709 1.00 0.00 C ATOM 938 O GLY A 62 34.687 97.836 -40.288 1.00 0.00 O ATOM 0 H GLY A 62 35.453 101.621 -39.215 1.00 0.00 H new ATOM 0 HA2 GLY A 62 35.808 100.689 -41.299 1.00 0.00 H new ATOM 0 HA3 GLY A 62 36.741 99.412 -40.545 1.00 0.00 H new ATOM 942 N PHE A 63 33.565 99.419 -41.329 1.00 0.00 N ATOM 943 CA PHE A 63 32.393 98.514 -41.520 1.00 0.00 C ATOM 944 C PHE A 63 32.384 97.891 -42.928 1.00 0.00 C ATOM 945 O PHE A 63 32.789 96.757 -43.097 1.00 0.00 O ATOM 946 CB PHE A 63 31.096 99.301 -41.277 1.00 0.00 C ATOM 947 CG PHE A 63 29.902 98.384 -41.430 1.00 0.00 C ATOM 948 CD1 PHE A 63 29.778 97.255 -40.611 1.00 0.00 C ATOM 949 CD2 PHE A 63 28.922 98.663 -42.390 1.00 0.00 C ATOM 950 CE1 PHE A 63 28.675 96.406 -40.753 1.00 0.00 C ATOM 951 CE2 PHE A 63 27.819 97.813 -42.531 1.00 0.00 C ATOM 952 CZ PHE A 63 27.695 96.684 -41.712 1.00 0.00 C ATOM 0 H PHE A 63 33.457 100.360 -41.707 1.00 0.00 H new ATOM 0 HA PHE A 63 32.467 97.698 -40.801 1.00 0.00 H new ATOM 0 HB2 PHE A 63 31.106 99.736 -40.278 1.00 0.00 H new ATOM 0 HB3 PHE A 63 31.024 100.128 -41.984 1.00 0.00 H new ATOM 0 HD1 PHE A 63 30.534 97.040 -39.870 1.00 0.00 H new ATOM 0 HD2 PHE A 63 29.017 99.534 -43.022 1.00 0.00 H new ATOM 0 HE1 PHE A 63 28.580 95.535 -40.122 1.00 0.00 H new ATOM 0 HE2 PHE A 63 27.063 98.028 -43.272 1.00 0.00 H new ATOM 0 HZ PHE A 63 26.844 96.028 -41.821 1.00 0.00 H new ATOM 962 N SER A 64 31.896 98.595 -43.933 1.00 0.00 N ATOM 963 CA SER A 64 31.832 97.983 -45.302 1.00 0.00 C ATOM 964 C SER A 64 32.577 98.805 -46.361 1.00 0.00 C ATOM 965 O SER A 64 32.131 98.898 -47.489 1.00 0.00 O ATOM 966 CB SER A 64 30.362 97.824 -45.714 1.00 0.00 C ATOM 967 OG SER A 64 30.244 96.752 -46.654 1.00 0.00 O ATOM 0 H SER A 64 31.546 99.550 -43.863 1.00 0.00 H new ATOM 0 HA SER A 64 32.327 97.014 -45.248 1.00 0.00 H new ATOM 0 HB2 SER A 64 29.747 97.622 -44.837 1.00 0.00 H new ATOM 0 HB3 SER A 64 29.994 98.751 -46.155 1.00 0.00 H new ATOM 0 HG SER A 64 30.823 96.928 -47.425 1.00 0.00 H new ATOM 973 N GLU A 65 33.715 99.377 -46.044 1.00 0.00 N ATOM 974 CA GLU A 65 34.460 100.137 -47.083 1.00 0.00 C ATOM 975 C GLU A 65 35.949 99.827 -46.947 1.00 0.00 C ATOM 976 O GLU A 65 36.621 100.315 -46.053 1.00 0.00 O ATOM 977 CB GLU A 65 34.194 101.624 -46.909 1.00 0.00 C ATOM 978 CG GLU A 65 32.880 101.978 -47.615 1.00 0.00 C ATOM 979 CD GLU A 65 33.168 102.594 -48.990 1.00 0.00 C ATOM 980 OE1 GLU A 65 33.926 103.554 -49.048 1.00 0.00 O ATOM 981 OE2 GLU A 65 32.629 102.095 -49.963 1.00 0.00 O ATOM 0 H GLU A 65 34.151 99.348 -45.122 1.00 0.00 H new ATOM 0 HA GLU A 65 34.129 99.845 -48.080 1.00 0.00 H new ATOM 0 HB2 GLU A 65 34.133 101.875 -45.850 1.00 0.00 H new ATOM 0 HB3 GLU A 65 35.016 102.206 -47.327 1.00 0.00 H new ATOM 0 HG2 GLU A 65 32.268 101.084 -47.730 1.00 0.00 H new ATOM 0 HG3 GLU A 65 32.309 102.679 -47.006 1.00 0.00 H new ATOM 988 N VAL A 66 36.466 98.998 -47.819 1.00 0.00 N ATOM 989 CA VAL A 66 37.915 98.634 -47.737 1.00 0.00 C ATOM 990 C VAL A 66 38.477 98.423 -49.146 1.00 0.00 C ATOM 991 O VAL A 66 37.863 97.782 -49.977 1.00 0.00 O ATOM 992 CB VAL A 66 38.087 97.353 -46.900 1.00 0.00 C ATOM 993 CG1 VAL A 66 39.511 96.810 -47.055 1.00 0.00 C ATOM 994 CG2 VAL A 66 37.834 97.667 -45.421 1.00 0.00 C ATOM 0 H VAL A 66 35.950 98.559 -48.582 1.00 0.00 H new ATOM 0 HA VAL A 66 38.462 99.445 -47.256 1.00 0.00 H new ATOM 0 HB VAL A 66 37.373 96.607 -47.250 1.00 0.00 H new ATOM 0 HG11 VAL A 66 39.622 95.904 -46.459 1.00 0.00 H new ATOM 0 HG12 VAL A 66 39.701 96.580 -48.103 1.00 0.00 H new ATOM 0 HG13 VAL A 66 40.225 97.559 -46.713 1.00 0.00 H new ATOM 0 HG21 VAL A 66 37.956 96.759 -44.830 1.00 0.00 H new ATOM 0 HG22 VAL A 66 38.546 98.419 -45.082 1.00 0.00 H new ATOM 0 HG23 VAL A 66 36.820 98.046 -45.298 1.00 0.00 H new ATOM 1004 N ILE A 67 39.643 98.957 -49.419 1.00 0.00 N ATOM 1005 CA ILE A 67 40.244 98.785 -50.788 1.00 0.00 C ATOM 1006 C ILE A 67 41.358 97.744 -50.750 1.00 0.00 C ATOM 1007 O ILE A 67 42.306 97.873 -50.014 1.00 0.00 O ATOM 1008 CB ILE A 67 40.788 100.114 -51.298 1.00 0.00 C ATOM 1009 CG1 ILE A 67 39.612 101.007 -51.639 1.00 0.00 C ATOM 1010 CG2 ILE A 67 41.610 99.878 -52.564 1.00 0.00 C ATOM 1011 CD1 ILE A 67 39.748 102.341 -50.904 1.00 0.00 C ATOM 0 H ILE A 67 40.204 99.500 -48.763 1.00 0.00 H new ATOM 0 HA ILE A 67 39.464 98.441 -51.468 1.00 0.00 H new ATOM 0 HB ILE A 67 41.417 100.577 -50.538 1.00 0.00 H new ATOM 0 HG12 ILE A 67 39.571 101.176 -52.715 1.00 0.00 H new ATOM 0 HG13 ILE A 67 38.679 100.519 -51.358 1.00 0.00 H new ATOM 0 HG21 ILE A 67 41.999 100.829 -52.928 1.00 0.00 H new ATOM 0 HG22 ILE A 67 42.440 99.209 -52.339 1.00 0.00 H new ATOM 0 HG23 ILE A 67 40.978 99.427 -53.329 1.00 0.00 H new ATOM 0 HD11 ILE A 67 38.901 102.981 -51.151 1.00 0.00 H new ATOM 0 HD12 ILE A 67 39.767 102.164 -49.829 1.00 0.00 H new ATOM 0 HD13 ILE A 67 40.673 102.831 -51.207 1.00 0.00 H new ATOM 1023 N PHE A 68 41.233 96.707 -51.537 1.00 0.00 N ATOM 1024 CA PHE A 68 42.263 95.615 -51.537 1.00 0.00 C ATOM 1025 C PHE A 68 43.591 96.073 -52.132 1.00 0.00 C ATOM 1026 O PHE A 68 43.628 96.872 -53.069 1.00 0.00 O ATOM 1027 CB PHE A 68 41.762 94.406 -52.334 1.00 0.00 C ATOM 1028 CG PHE A 68 40.340 94.088 -51.949 1.00 0.00 C ATOM 1029 CD1 PHE A 68 39.823 94.534 -50.727 1.00 0.00 C ATOM 1030 CD2 PHE A 68 39.536 93.364 -52.825 1.00 0.00 C ATOM 1031 CE1 PHE A 68 38.506 94.255 -50.383 1.00 0.00 C ATOM 1032 CE2 PHE A 68 38.216 93.080 -52.484 1.00 0.00 C ATOM 1033 CZ PHE A 68 37.695 93.526 -51.262 1.00 0.00 C ATOM 0 H PHE A 68 40.458 96.565 -52.185 1.00 0.00 H new ATOM 0 HA PHE A 68 42.426 95.342 -50.495 1.00 0.00 H new ATOM 0 HB2 PHE A 68 41.820 94.615 -53.402 1.00 0.00 H new ATOM 0 HB3 PHE A 68 42.401 93.544 -52.143 1.00 0.00 H new ATOM 0 HD1 PHE A 68 40.449 95.096 -50.050 1.00 0.00 H new ATOM 0 HD2 PHE A 68 39.936 93.023 -53.768 1.00 0.00 H new ATOM 0 HE1 PHE A 68 38.108 94.600 -49.440 1.00 0.00 H new ATOM 0 HE2 PHE A 68 37.593 92.515 -53.162 1.00 0.00 H new ATOM 0 HZ PHE A 68 36.671 93.308 -50.999 1.00 0.00 H new ATOM 1043 N ARG A 69 44.658 95.510 -51.576 1.00 0.00 N ATOM 1044 CA ARG A 69 46.079 95.768 -52.001 1.00 0.00 C ATOM 1045 C ARG A 69 47.035 95.536 -50.792 1.00 0.00 C ATOM 1046 O ARG A 69 46.560 95.169 -49.720 1.00 0.00 O ATOM 1047 CB ARG A 69 46.255 97.198 -52.539 1.00 0.00 C ATOM 1048 CG ARG A 69 46.331 97.190 -54.083 1.00 0.00 C ATOM 1049 CD ARG A 69 47.118 95.975 -54.608 1.00 0.00 C ATOM 1050 NE ARG A 69 48.379 95.790 -53.834 1.00 0.00 N ATOM 1051 CZ ARG A 69 49.246 96.743 -53.756 1.00 0.00 C ATOM 1052 NH1 ARG A 69 49.709 97.297 -54.835 1.00 0.00 N ATOM 1053 NH2 ARG A 69 49.636 97.140 -52.589 1.00 0.00 N ATOM 1054 OXT ARG A 69 48.235 95.708 -50.960 1.00 0.00 O ATOM 0 H ARG A 69 44.587 94.848 -50.804 1.00 0.00 H new ATOM 0 HA ARG A 69 46.325 95.075 -52.806 1.00 0.00 H new ATOM 0 HB2 ARG A 69 45.422 97.821 -52.213 1.00 0.00 H new ATOM 0 HB3 ARG A 69 47.163 97.639 -52.127 1.00 0.00 H new ATOM 0 HG2 ARG A 69 45.323 97.177 -54.497 1.00 0.00 H new ATOM 0 HG3 ARG A 69 46.806 98.108 -54.429 1.00 0.00 H new ATOM 0 HD2 ARG A 69 46.504 95.077 -54.533 1.00 0.00 H new ATOM 0 HD3 ARG A 69 47.350 96.114 -55.664 1.00 0.00 H new ATOM 0 HE ARG A 69 48.558 94.903 -53.362 1.00 0.00 H new ATOM 0 HH11 ARG A 69 49.388 96.979 -55.750 1.00 0.00 H new ATOM 0 HH12 ARG A 69 50.394 98.050 -54.768 1.00 0.00 H new ATOM 0 HH21 ARG A 69 49.259 96.701 -51.749 1.00 0.00 H new ATOM 0 HH22 ARG A 69 50.321 97.892 -52.509 1.00 0.00 H new TER 1068 ARG A 69