USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 570 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 51 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 85 THR OG1 : rot -171:sc= 0.627 USER MOD Set 2.1: A 3 HIS : no HD1:sc= -0.396 X(o=-0.4,f=0.096) USER MOD Set 2.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -70:sc= 1.02 USER MOD Single : A 8 SER OG : rot -49:sc= 0.654 USER MOD Single : A 12 TYR OH : rot -133:sc= -0.244! USER MOD Single : A 16 MET CE :methyl -124:sc= -1.06 (180deg=-3.34!) USER MOD Single : A 17 GLN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.4!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 140:sc= -2.02! USER MOD Single : A 34 ASN : amide:sc= -4.65! C(o=-4.6!,f=-5.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.156 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -5.01! C(o=-5!,f=-9.6!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.323 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 54:sc= 1.03 USER MOD Single : A 71 THR OG1 : rot 175:sc= -0.221 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= -1.72 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.88) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.00076) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= 0.0739 (180deg=0.0387) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 98:sc= 0.543 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 45.203 4.205 -42.122 1.00 0.00 N ATOM 32 CA HIS A 3 44.659 3.566 -40.929 1.00 0.00 C ATOM 33 C HIS A 3 45.236 4.198 -39.666 1.00 0.00 C ATOM 34 O HIS A 3 46.423 4.521 -39.609 1.00 0.00 O ATOM 35 CB HIS A 3 44.958 2.066 -40.946 1.00 0.00 C ATOM 36 CG HIS A 3 43.819 1.235 -41.445 1.00 0.00 C ATOM 37 ND1 HIS A 3 43.719 0.802 -42.751 1.00 0.00 N ATOM 38 CD2 HIS A 3 42.724 0.756 -40.807 1.00 0.00 C ATOM 39 CE1 HIS A 3 42.613 0.094 -42.894 1.00 0.00 C ATOM 40 NE2 HIS A 3 41.992 0.051 -41.730 1.00 0.00 N ATOM 0 HA HIS A 3 43.579 3.712 -40.928 1.00 0.00 H new ATOM 0 HB2 HIS A 3 45.831 1.885 -41.573 1.00 0.00 H new ATOM 0 HB3 HIS A 3 45.217 1.744 -39.937 1.00 0.00 H new ATOM 0 HD2 HIS A 3 42.474 0.902 -39.767 1.00 0.00 H new ATOM 0 HE1 HIS A 3 42.274 -0.371 -43.808 1.00 0.00 H new ATOM 0 HE2 HIS A 3 41.111 -0.429 -41.546 1.00 0.00 H new ATOM 49 N CYS A 4 44.392 4.368 -38.655 1.00 0.00 N ATOM 50 CA CYS A 4 44.826 4.962 -37.393 1.00 0.00 C ATOM 51 C CYS A 4 44.891 3.912 -36.290 1.00 0.00 C ATOM 52 O CYS A 4 43.900 3.247 -35.994 1.00 0.00 O ATOM 53 CB CYS A 4 43.886 6.094 -36.978 1.00 0.00 C ATOM 54 SG CYS A 4 42.208 5.965 -37.680 1.00 0.00 S ATOM 0 H CYS A 4 43.407 4.105 -38.682 1.00 0.00 H new ATOM 0 HA CYS A 4 45.825 5.370 -37.544 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.813 6.111 -35.891 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.323 7.045 -37.283 1.00 0.00 H new ATOM 59 N VAL A 5 46.065 3.768 -35.684 1.00 0.00 N ATOM 60 CA VAL A 5 46.259 2.798 -34.614 1.00 0.00 C ATOM 61 C VAL A 5 46.727 3.476 -33.331 1.00 0.00 C ATOM 62 O VAL A 5 47.924 3.673 -33.122 1.00 0.00 O ATOM 63 CB VAL A 5 47.282 1.717 -35.011 1.00 0.00 C ATOM 64 CG1 VAL A 5 47.527 0.761 -33.854 1.00 0.00 C ATOM 65 CG2 VAL A 5 46.811 0.964 -36.244 1.00 0.00 C ATOM 0 H VAL A 5 46.896 4.311 -35.916 1.00 0.00 H new ATOM 0 HA VAL A 5 45.292 2.326 -34.440 1.00 0.00 H new ATOM 0 HB VAL A 5 48.225 2.207 -35.251 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.252 0.005 -34.154 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.914 1.316 -32.999 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.591 0.276 -33.578 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.546 0.205 -36.510 1.00 0.00 H new ATOM 0 HG22 VAL A 5 45.854 0.485 -36.035 1.00 0.00 H new ATOM 0 HG23 VAL A 5 46.694 1.661 -37.074 1.00 0.00 H new ATOM 75 N THR A 6 45.774 3.832 -32.474 1.00 0.00 N ATOM 76 CA THR A 6 46.088 4.487 -31.211 1.00 0.00 C ATOM 77 C THR A 6 47.143 3.706 -30.437 1.00 0.00 C ATOM 78 O THR A 6 46.818 2.891 -29.573 1.00 0.00 O ATOM 79 CB THR A 6 44.834 4.647 -30.332 1.00 0.00 C ATOM 80 OG1 THR A 6 45.204 4.668 -28.947 1.00 0.00 O ATOM 81 CG2 THR A 6 43.851 3.513 -30.582 1.00 0.00 C ATOM 0 H THR A 6 44.778 3.677 -32.633 1.00 0.00 H new ATOM 0 HA THR A 6 46.477 5.476 -31.455 1.00 0.00 H new ATOM 0 HB THR A 6 44.352 5.590 -30.593 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.509 3.777 -28.676 1.00 0.00 H new ATOM 0 HG21 THR A 6 42.973 3.647 -29.950 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.549 3.518 -31.629 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.326 2.561 -30.346 1.00 0.00 H new ATOM 89 N ASP A 7 48.408 3.957 -30.756 1.00 0.00 N ATOM 90 CA ASP A 7 49.513 3.275 -30.093 1.00 0.00 C ATOM 91 C ASP A 7 49.631 1.836 -30.582 1.00 0.00 C ATOM 92 O ASP A 7 50.540 1.500 -31.339 1.00 0.00 O ATOM 93 CB ASP A 7 49.321 3.299 -28.576 1.00 0.00 C ATOM 94 CG ASP A 7 48.980 4.684 -28.059 1.00 0.00 C ATOM 95 OD1 ASP A 7 49.919 5.464 -27.790 1.00 0.00 O ATOM 96 OD2 ASP A 7 47.777 4.987 -27.923 1.00 0.00 O ATOM 0 H ASP A 7 48.693 4.628 -31.470 1.00 0.00 H new ATOM 0 HA ASP A 7 50.435 3.802 -30.341 1.00 0.00 H new ATOM 0 HB2 ASP A 7 48.526 2.606 -28.302 1.00 0.00 H new ATOM 0 HB3 ASP A 7 50.232 2.947 -28.091 1.00 0.00 H new ATOM 101 N SER A 8 48.701 0.995 -30.145 1.00 0.00 N ATOM 102 CA SER A 8 48.692 -0.409 -30.537 1.00 0.00 C ATOM 103 C SER A 8 47.584 -1.172 -29.818 1.00 0.00 C ATOM 104 O SER A 8 47.758 -2.332 -29.446 1.00 0.00 O ATOM 105 CB SER A 8 50.045 -1.057 -30.238 1.00 0.00 C ATOM 106 OG SER A 8 50.106 -2.373 -30.759 1.00 0.00 O ATOM 0 H SER A 8 47.942 1.262 -29.518 1.00 0.00 H new ATOM 0 HA SER A 8 48.504 -0.454 -31.610 1.00 0.00 H new ATOM 0 HB2 SER A 8 50.844 -0.454 -30.670 1.00 0.00 H new ATOM 0 HB3 SER A 8 50.210 -1.081 -29.161 1.00 0.00 H new ATOM 0 HG SER A 8 49.301 -2.867 -30.496 1.00 0.00 H new ATOM 112 N GLY A 9 46.446 -0.514 -29.624 1.00 0.00 N ATOM 113 CA GLY A 9 45.331 -1.150 -28.948 1.00 0.00 C ATOM 114 C GLY A 9 44.062 -1.144 -29.780 1.00 0.00 C ATOM 115 O GLY A 9 43.133 -1.904 -29.511 1.00 0.00 O ATOM 0 H GLY A 9 46.276 0.447 -29.922 1.00 0.00 H new ATOM 0 HA2 GLY A 9 45.597 -2.179 -28.706 1.00 0.00 H new ATOM 0 HA3 GLY A 9 45.144 -0.638 -28.004 1.00 0.00 H new ATOM 119 N VAL A 10 44.022 -0.283 -30.792 1.00 0.00 N ATOM 120 CA VAL A 10 42.858 -0.183 -31.662 1.00 0.00 C ATOM 121 C VAL A 10 43.268 0.134 -33.096 1.00 0.00 C ATOM 122 O VAL A 10 44.197 0.906 -33.330 1.00 0.00 O ATOM 123 CB VAL A 10 41.883 0.902 -31.169 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.497 0.685 -31.757 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.829 0.919 -29.649 1.00 0.00 C ATOM 0 H VAL A 10 44.782 0.355 -31.029 1.00 0.00 H new ATOM 0 HA VAL A 10 42.359 -1.152 -31.636 1.00 0.00 H new ATOM 0 HB VAL A 10 42.247 1.872 -31.508 1.00 0.00 H new ATOM 0 HG11 VAL A 10 39.823 1.462 -31.396 1.00 0.00 H new ATOM 0 HG12 VAL A 10 40.552 0.729 -32.845 1.00 0.00 H new ATOM 0 HG13 VAL A 10 40.121 -0.292 -31.452 1.00 0.00 H new ATOM 0 HG21 VAL A 10 41.135 1.692 -29.318 1.00 0.00 H new ATOM 0 HG22 VAL A 10 41.491 -0.052 -29.286 1.00 0.00 H new ATOM 0 HG23 VAL A 10 42.822 1.129 -29.252 1.00 0.00 H new ATOM 135 N VAL A 11 42.569 -0.468 -34.053 1.00 0.00 N ATOM 136 CA VAL A 11 42.862 -0.248 -35.464 1.00 0.00 C ATOM 137 C VAL A 11 41.786 0.608 -36.122 1.00 0.00 C ATOM 138 O VAL A 11 40.894 0.095 -36.798 1.00 0.00 O ATOM 139 CB VAL A 11 42.981 -1.580 -36.228 1.00 0.00 C ATOM 140 CG1 VAL A 11 43.436 -1.337 -37.659 1.00 0.00 C ATOM 141 CG2 VAL A 11 43.937 -2.522 -35.511 1.00 0.00 C ATOM 0 H VAL A 11 41.797 -1.111 -33.877 1.00 0.00 H new ATOM 0 HA VAL A 11 43.817 0.275 -35.510 1.00 0.00 H new ATOM 0 HB VAL A 11 41.998 -2.049 -36.259 1.00 0.00 H new ATOM 0 HG11 VAL A 11 43.514 -2.290 -38.183 1.00 0.00 H new ATOM 0 HG12 VAL A 11 42.712 -0.701 -38.168 1.00 0.00 H new ATOM 0 HG13 VAL A 11 44.409 -0.845 -37.653 1.00 0.00 H new ATOM 0 HG21 VAL A 11 44.009 -3.458 -36.065 1.00 0.00 H new ATOM 0 HG22 VAL A 11 44.923 -2.061 -35.448 1.00 0.00 H new ATOM 0 HG23 VAL A 11 43.565 -2.722 -34.506 1.00 0.00 H new ATOM 151 N TYR A 12 41.879 1.917 -35.919 1.00 0.00 N ATOM 152 CA TYR A 12 40.920 2.853 -36.490 1.00 0.00 C ATOM 153 C TYR A 12 41.247 3.150 -37.947 1.00 0.00 C ATOM 154 O TYR A 12 42.238 2.657 -38.487 1.00 0.00 O ATOM 155 CB TYR A 12 40.915 4.160 -35.696 1.00 0.00 C ATOM 156 CG TYR A 12 40.397 4.014 -34.286 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.061 3.726 -34.043 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.247 4.163 -33.200 1.00 0.00 C ATOM 159 CE1 TYR A 12 38.586 3.589 -32.753 1.00 0.00 C ATOM 160 CE2 TYR A 12 40.780 4.028 -31.906 1.00 0.00 C ATOM 161 CZ TYR A 12 39.449 3.740 -31.689 1.00 0.00 C ATOM 162 OH TYR A 12 38.980 3.606 -30.402 1.00 0.00 O ATOM 0 H TYR A 12 42.612 2.355 -35.361 1.00 0.00 H new ATOM 0 HA TYR A 12 39.934 2.391 -36.438 1.00 0.00 H new ATOM 0 HB2 TYR A 12 41.930 4.557 -35.661 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.304 4.892 -36.224 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.383 3.607 -34.875 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.290 4.388 -33.368 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.544 3.365 -32.579 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.453 4.147 -31.070 1.00 0.00 H new ATOM 0 HH TYR A 12 39.312 4.347 -29.854 1.00 0.00 H new ATOM 172 N SER A 13 40.414 3.970 -38.573 1.00 0.00 N ATOM 173 CA SER A 13 40.614 4.353 -39.963 1.00 0.00 C ATOM 174 C SER A 13 40.470 5.861 -40.125 1.00 0.00 C ATOM 175 O SER A 13 39.562 6.467 -39.559 1.00 0.00 O ATOM 176 CB SER A 13 39.616 3.629 -40.864 1.00 0.00 C ATOM 177 OG SER A 13 40.147 2.402 -41.334 1.00 0.00 O ATOM 0 H SER A 13 39.590 4.384 -38.137 1.00 0.00 H new ATOM 0 HA SER A 13 41.623 4.065 -40.258 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.694 3.442 -40.314 1.00 0.00 H new ATOM 0 HB3 SER A 13 39.358 4.265 -41.711 1.00 0.00 H new ATOM 0 HG SER A 13 39.487 1.958 -41.907 1.00 0.00 H new ATOM 183 N VAL A 14 41.379 6.455 -40.894 1.00 0.00 N ATOM 184 CA VAL A 14 41.371 7.896 -41.130 1.00 0.00 C ATOM 185 C VAL A 14 39.955 8.465 -41.112 1.00 0.00 C ATOM 186 O VAL A 14 39.300 8.564 -42.150 1.00 0.00 O ATOM 187 CB VAL A 14 42.033 8.246 -42.475 1.00 0.00 C ATOM 188 CG1 VAL A 14 41.405 7.447 -43.607 1.00 0.00 C ATOM 189 CG2 VAL A 14 41.935 9.739 -42.747 1.00 0.00 C ATOM 0 H VAL A 14 42.134 5.958 -41.366 1.00 0.00 H new ATOM 0 HA VAL A 14 41.942 8.345 -40.317 1.00 0.00 H new ATOM 0 HB VAL A 14 43.088 7.979 -42.418 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.887 7.709 -44.549 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.536 6.382 -43.417 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.341 7.677 -43.668 1.00 0.00 H new ATOM 0 HG21 VAL A 14 42.408 9.967 -43.702 1.00 0.00 H new ATOM 0 HG22 VAL A 14 40.886 10.034 -42.782 1.00 0.00 H new ATOM 0 HG23 VAL A 14 42.440 10.288 -41.952 1.00 0.00 H new ATOM 199 N GLY A 15 39.492 8.840 -39.924 1.00 0.00 N ATOM 200 CA GLY A 15 38.159 9.400 -39.787 1.00 0.00 C ATOM 201 C GLY A 15 37.339 8.715 -38.711 1.00 0.00 C ATOM 202 O GLY A 15 36.141 8.965 -38.586 1.00 0.00 O ATOM 0 H GLY A 15 40.016 8.766 -39.052 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.239 10.462 -39.555 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.637 9.320 -40.741 1.00 0.00 H new ATOM 206 N MET A 16 37.980 7.848 -37.933 1.00 0.00 N ATOM 207 CA MET A 16 37.292 7.132 -36.867 1.00 0.00 C ATOM 208 C MET A 16 37.369 7.904 -35.553 1.00 0.00 C ATOM 209 O MET A 16 38.448 8.092 -34.994 1.00 0.00 O ATOM 210 CB MET A 16 37.895 5.738 -36.688 1.00 0.00 C ATOM 211 CG MET A 16 37.096 4.638 -37.368 1.00 0.00 C ATOM 212 SD MET A 16 36.222 3.586 -36.194 1.00 0.00 S ATOM 213 CE MET A 16 37.135 2.055 -36.368 1.00 0.00 C ATOM 0 H MET A 16 38.972 7.626 -38.021 1.00 0.00 H new ATOM 0 HA MET A 16 36.244 7.034 -37.149 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.910 5.737 -37.085 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.969 5.517 -35.623 1.00 0.00 H new ATOM 0 HG2 MET A 16 36.377 5.087 -38.053 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.768 4.025 -37.969 1.00 0.00 H new ATOM 0 HE1 MET A 16 36.449 1.250 -36.629 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.882 2.164 -37.154 1.00 0.00 H new ATOM 0 HE3 MET A 16 37.631 1.818 -35.427 1.00 0.00 H new ATOM 223 N GLN A 17 36.214 8.346 -35.065 1.00 0.00 N ATOM 224 CA GLN A 17 36.147 9.095 -33.816 1.00 0.00 C ATOM 225 C GLN A 17 35.840 8.163 -32.649 1.00 0.00 C ATOM 226 O GLN A 17 34.737 7.627 -32.544 1.00 0.00 O ATOM 227 CB GLN A 17 35.078 10.186 -33.905 1.00 0.00 C ATOM 228 CG GLN A 17 35.591 11.498 -34.474 1.00 0.00 C ATOM 229 CD GLN A 17 34.536 12.586 -34.474 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.314 13.253 -35.485 1.00 0.00 O ATOM 231 NE2 GLN A 17 33.876 12.770 -33.336 1.00 0.00 N ATOM 0 H GLN A 17 35.311 8.198 -35.516 1.00 0.00 H new ATOM 0 HA GLN A 17 37.117 9.563 -33.646 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.256 9.828 -34.525 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.671 10.366 -32.910 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.451 11.831 -33.892 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.940 11.336 -35.494 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.092 12.194 -32.522 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.153 13.487 -33.276 1.00 0.00 H new ATOM 240 N TRP A 18 36.822 7.970 -31.774 1.00 0.00 N ATOM 241 CA TRP A 18 36.649 7.096 -30.621 1.00 0.00 C ATOM 242 C TRP A 18 36.900 7.842 -29.314 1.00 0.00 C ATOM 243 O TRP A 18 37.109 9.057 -29.306 1.00 0.00 O ATOM 244 CB TRP A 18 37.586 5.893 -30.721 1.00 0.00 C ATOM 245 CG TRP A 18 39.025 6.244 -30.508 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.715 6.193 -29.332 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.952 6.698 -31.500 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.014 6.586 -29.531 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.185 6.903 -30.854 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.859 6.952 -32.872 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.317 7.350 -31.535 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.981 7.395 -33.544 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.195 7.591 -32.876 1.00 0.00 C ATOM 0 H TRP A 18 37.742 8.405 -31.841 1.00 0.00 H new ATOM 0 HA TRP A 18 35.616 6.748 -30.621 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.288 5.147 -29.984 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.473 5.434 -31.703 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.299 5.888 -28.383 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.736 6.635 -28.812 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.927 6.804 -33.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.256 7.500 -31.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.921 7.594 -34.604 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.053 7.940 -33.431 1.00 0.00 H new ATOM 264 N LEU A 19 36.877 7.102 -28.212 1.00 0.00 N ATOM 265 CA LEU A 19 37.097 7.682 -26.893 1.00 0.00 C ATOM 266 C LEU A 19 38.112 6.865 -26.107 1.00 0.00 C ATOM 267 O LEU A 19 38.086 5.634 -26.128 1.00 0.00 O ATOM 268 CB LEU A 19 35.780 7.756 -26.119 1.00 0.00 C ATOM 269 CG LEU A 19 35.786 8.694 -24.911 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.562 10.132 -25.354 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.724 8.273 -23.906 1.00 0.00 C ATOM 0 H LEU A 19 36.708 6.096 -28.206 1.00 0.00 H new ATOM 0 HA LEU A 19 37.489 8.690 -27.027 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.993 8.075 -26.802 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.520 6.754 -25.779 1.00 0.00 H new ATOM 0 HG LEU A 19 36.761 8.631 -24.428 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.569 10.787 -24.482 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.357 10.430 -26.038 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.600 10.211 -25.859 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.742 8.951 -23.053 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.742 8.309 -24.378 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.926 7.257 -23.567 1.00 0.00 H new ATOM 283 N LYS A 20 39.004 7.557 -25.412 1.00 0.00 N ATOM 284 CA LYS A 20 40.029 6.895 -24.615 1.00 0.00 C ATOM 285 C LYS A 20 39.915 7.295 -23.147 1.00 0.00 C ATOM 286 O LYS A 20 39.369 8.349 -22.821 1.00 0.00 O ATOM 287 CB LYS A 20 41.419 7.237 -25.153 1.00 0.00 C ATOM 288 CG LYS A 20 42.301 6.020 -25.378 1.00 0.00 C ATOM 289 CD LYS A 20 43.776 6.386 -25.348 1.00 0.00 C ATOM 290 CE LYS A 20 44.185 6.938 -23.992 1.00 0.00 C ATOM 291 NZ LYS A 20 45.652 6.829 -23.765 1.00 0.00 N ATOM 0 H LYS A 20 39.039 8.576 -25.383 1.00 0.00 H new ATOM 0 HA LYS A 20 39.879 5.818 -24.688 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.312 7.777 -26.094 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.915 7.910 -24.453 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.095 5.274 -24.611 1.00 0.00 H new ATOM 0 HG3 LYS A 20 42.057 5.566 -26.338 1.00 0.00 H new ATOM 0 HD2 LYS A 20 44.375 5.505 -25.579 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.984 7.126 -26.121 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.884 7.983 -23.920 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.656 6.399 -23.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.888 7.217 -22.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.937 5.830 -23.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 46.158 7.365 -24.499 1.00 0.00 H new ATOM 379 N GLN A 26 38.519 11.089 -18.301 1.00 0.00 N ATOM 380 CA GLN A 26 38.091 10.801 -19.665 1.00 0.00 C ATOM 381 C GLN A 26 39.055 11.412 -20.674 1.00 0.00 C ATOM 382 O GLN A 26 39.862 12.276 -20.332 1.00 0.00 O ATOM 383 CB GLN A 26 36.679 11.336 -19.903 1.00 0.00 C ATOM 384 CG GLN A 26 35.608 10.260 -19.871 1.00 0.00 C ATOM 385 CD GLN A 26 34.443 10.624 -18.971 1.00 0.00 C ATOM 386 OE1 GLN A 26 34.554 11.508 -18.120 1.00 0.00 O ATOM 387 NE2 GLN A 26 33.319 9.944 -19.154 1.00 0.00 N ATOM 0 HA GLN A 26 38.088 9.719 -19.799 1.00 0.00 H new ATOM 0 HB2 GLN A 26 36.451 12.086 -19.146 1.00 0.00 H new ATOM 0 HB3 GLN A 26 36.648 11.839 -20.869 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.241 10.088 -20.883 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.049 9.324 -19.528 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.272 9.220 -19.871 1.00 0.00 H new ATOM 0 HE22 GLN A 26 32.502 10.145 -18.578 1.00 0.00 H new ATOM 396 N MET A 27 38.965 10.959 -21.919 1.00 0.00 N ATOM 397 CA MET A 27 39.830 11.464 -22.976 1.00 0.00 C ATOM 398 C MET A 27 39.301 11.071 -24.350 1.00 0.00 C ATOM 399 O MET A 27 39.252 9.890 -24.692 1.00 0.00 O ATOM 400 CB MET A 27 41.253 10.934 -22.791 1.00 0.00 C ATOM 401 CG MET A 27 42.312 11.788 -23.469 1.00 0.00 C ATOM 402 SD MET A 27 43.106 10.944 -24.851 1.00 0.00 S ATOM 403 CE MET A 27 44.787 10.816 -24.247 1.00 0.00 C ATOM 0 H MET A 27 38.303 10.244 -22.220 1.00 0.00 H new ATOM 0 HA MET A 27 39.842 12.552 -22.913 1.00 0.00 H new ATOM 0 HB2 MET A 27 41.474 10.874 -21.725 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.308 9.920 -23.186 1.00 0.00 H new ATOM 0 HG2 MET A 27 41.855 12.711 -23.826 1.00 0.00 H new ATOM 0 HG3 MET A 27 43.069 12.070 -22.737 1.00 0.00 H new ATOM 0 HE1 MET A 27 45.404 10.314 -24.992 1.00 0.00 H new ATOM 0 HE2 MET A 27 45.183 11.814 -24.060 1.00 0.00 H new ATOM 0 HE3 MET A 27 44.798 10.241 -23.321 1.00 0.00 H new ATOM 413 N LEU A 28 38.912 12.069 -25.136 1.00 0.00 N ATOM 414 CA LEU A 28 38.391 11.830 -26.476 1.00 0.00 C ATOM 415 C LEU A 28 39.523 11.855 -27.495 1.00 0.00 C ATOM 416 O LEU A 28 40.324 12.788 -27.520 1.00 0.00 O ATOM 417 CB LEU A 28 37.348 12.889 -26.835 1.00 0.00 C ATOM 418 CG LEU A 28 36.414 12.512 -27.984 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.970 12.509 -27.514 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.588 13.469 -29.151 1.00 0.00 C ATOM 0 H LEU A 28 38.948 13.052 -24.867 1.00 0.00 H new ATOM 0 HA LEU A 28 37.920 10.847 -26.494 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.746 13.099 -25.951 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.865 13.813 -27.095 1.00 0.00 H new ATOM 0 HG LEU A 28 36.672 11.508 -28.321 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.318 12.239 -28.344 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.851 11.785 -26.708 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.703 13.502 -27.152 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.914 13.184 -29.959 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.357 14.484 -28.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.618 13.427 -29.505 1.00 0.00 H new ATOM 432 N CYS A 29 39.590 10.830 -28.336 1.00 0.00 N ATOM 433 CA CYS A 29 40.636 10.759 -29.346 1.00 0.00 C ATOM 434 C CYS A 29 40.062 10.477 -30.724 1.00 0.00 C ATOM 435 O CYS A 29 39.037 9.808 -30.862 1.00 0.00 O ATOM 436 CB CYS A 29 41.669 9.694 -28.982 1.00 0.00 C ATOM 437 SG CYS A 29 43.261 9.891 -29.846 1.00 0.00 S ATOM 0 H CYS A 29 38.939 10.045 -28.339 1.00 0.00 H new ATOM 0 HA CYS A 29 41.126 11.732 -29.375 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.844 9.723 -27.906 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.260 8.710 -29.212 1.00 0.00 H new ATOM 442 N THR A 30 40.735 10.997 -31.742 1.00 0.00 N ATOM 443 CA THR A 30 40.301 10.810 -33.121 1.00 0.00 C ATOM 444 C THR A 30 41.477 10.872 -34.084 1.00 0.00 C ATOM 445 O THR A 30 42.473 11.547 -33.823 1.00 0.00 O ATOM 446 CB THR A 30 39.270 11.874 -33.541 1.00 0.00 C ATOM 447 OG1 THR A 30 38.134 11.828 -32.670 1.00 0.00 O ATOM 448 CG2 THR A 30 38.825 11.654 -34.980 1.00 0.00 C ATOM 0 H THR A 30 41.584 11.552 -31.639 1.00 0.00 H new ATOM 0 HA THR A 30 39.841 9.823 -33.167 1.00 0.00 H new ATOM 0 HB THR A 30 39.740 12.855 -33.468 1.00 0.00 H new ATOM 0 HG1 THR A 30 37.836 12.740 -32.472 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.097 12.417 -35.256 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.688 11.720 -35.642 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.371 10.668 -35.074 1.00 0.00 H new ATOM 456 N CYS A 31 41.348 10.176 -35.207 1.00 0.00 N ATOM 457 CA CYS A 31 42.394 10.163 -36.217 1.00 0.00 C ATOM 458 C CYS A 31 41.949 10.950 -37.444 1.00 0.00 C ATOM 459 O CYS A 31 41.109 10.495 -38.220 1.00 0.00 O ATOM 460 CB CYS A 31 42.754 8.730 -36.601 1.00 0.00 C ATOM 461 SG CYS A 31 41.356 7.749 -37.229 1.00 0.00 S ATOM 0 H CYS A 31 40.529 9.614 -35.439 1.00 0.00 H new ATOM 0 HA CYS A 31 43.283 10.637 -35.802 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.535 8.755 -37.361 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.173 8.227 -35.729 1.00 0.00 H new ATOM 466 N LEU A 32 42.510 12.142 -37.596 1.00 0.00 N ATOM 467 CA LEU A 32 42.168 13.018 -38.713 1.00 0.00 C ATOM 468 C LEU A 32 42.883 12.596 -39.995 1.00 0.00 C ATOM 469 O LEU A 32 42.429 11.690 -40.695 1.00 0.00 O ATOM 470 CB LEU A 32 42.509 14.472 -38.371 1.00 0.00 C ATOM 471 CG LEU A 32 43.672 14.656 -37.395 1.00 0.00 C ATOM 472 CD1 LEU A 32 44.543 15.828 -37.812 1.00 0.00 C ATOM 473 CD2 LEU A 32 43.152 14.849 -35.978 1.00 0.00 C ATOM 0 H LEU A 32 43.207 12.527 -36.958 1.00 0.00 H new ATOM 0 HA LEU A 32 41.095 12.934 -38.886 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.744 15.000 -39.295 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.623 14.947 -37.949 1.00 0.00 H new ATOM 0 HG LEU A 32 44.284 13.754 -37.416 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.364 15.941 -37.104 1.00 0.00 H new ATOM 0 HD12 LEU A 32 44.945 15.646 -38.808 1.00 0.00 H new ATOM 0 HD13 LEU A 32 43.945 16.740 -37.823 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.993 14.978 -35.296 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.516 15.733 -35.941 1.00 0.00 H new ATOM 0 HD23 LEU A 32 42.575 13.974 -35.680 1.00 0.00 H new ATOM 485 N GLY A 33 43.995 13.257 -40.310 1.00 0.00 N ATOM 486 CA GLY A 33 44.728 12.926 -41.518 1.00 0.00 C ATOM 487 C GLY A 33 46.223 12.826 -41.294 1.00 0.00 C ATOM 488 O GLY A 33 46.869 11.903 -41.792 1.00 0.00 O ATOM 0 H GLY A 33 44.398 14.011 -39.754 1.00 0.00 H new ATOM 0 HA2 GLY A 33 44.361 11.978 -41.911 1.00 0.00 H new ATOM 0 HA3 GLY A 33 44.530 13.684 -42.276 1.00 0.00 H new ATOM 492 N ASN A 34 46.777 13.773 -40.549 1.00 0.00 N ATOM 493 CA ASN A 34 48.208 13.780 -40.270 1.00 0.00 C ATOM 494 C ASN A 34 48.562 12.706 -39.249 1.00 0.00 C ATOM 495 O ASN A 34 49.653 12.137 -39.285 1.00 0.00 O ATOM 496 CB ASN A 34 48.656 15.155 -39.766 1.00 0.00 C ATOM 497 CG ASN A 34 48.126 15.476 -38.384 1.00 0.00 C ATOM 498 OD1 ASN A 34 47.257 16.333 -38.223 1.00 0.00 O ATOM 499 ND2 ASN A 34 48.655 14.794 -37.377 1.00 0.00 N ATOM 0 H ASN A 34 46.260 14.545 -40.128 1.00 0.00 H new ATOM 0 HA ASN A 34 48.734 13.563 -41.200 1.00 0.00 H new ATOM 0 HB2 ASN A 34 49.745 15.194 -39.750 1.00 0.00 H new ATOM 0 HB3 ASN A 34 48.320 15.920 -40.466 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.344 14.971 -36.422 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.373 14.093 -37.558 1.00 0.00 H new ATOM 506 N GLY A 35 47.633 12.431 -38.341 1.00 0.00 N ATOM 507 CA GLY A 35 47.869 11.421 -37.328 1.00 0.00 C ATOM 508 C GLY A 35 46.640 11.137 -36.489 1.00 0.00 C ATOM 509 O GLY A 35 45.594 10.758 -37.015 1.00 0.00 O ATOM 0 H GLY A 35 46.723 12.888 -38.288 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.197 10.499 -37.809 1.00 0.00 H new ATOM 0 HA3 GLY A 35 48.681 11.747 -36.678 1.00 0.00 H new ATOM 513 N VAL A 36 46.765 11.322 -35.179 1.00 0.00 N ATOM 514 CA VAL A 36 45.658 11.084 -34.263 1.00 0.00 C ATOM 515 C VAL A 36 45.705 12.055 -33.090 1.00 0.00 C ATOM 516 O VAL A 36 46.688 12.104 -32.350 1.00 0.00 O ATOM 517 CB VAL A 36 45.666 9.638 -33.725 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.722 9.498 -32.540 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.299 8.656 -34.825 1.00 0.00 C ATOM 0 H VAL A 36 47.624 11.637 -34.728 1.00 0.00 H new ATOM 0 HA VAL A 36 44.739 11.241 -34.828 1.00 0.00 H new ATOM 0 HB VAL A 36 46.675 9.407 -33.383 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.744 8.470 -32.177 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.037 10.171 -31.743 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.708 9.752 -32.850 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.310 7.642 -34.426 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.302 8.887 -35.201 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.021 8.734 -35.638 1.00 0.00 H new ATOM 529 N SER A 37 44.636 12.825 -32.924 1.00 0.00 N ATOM 530 CA SER A 37 44.555 13.794 -31.840 1.00 0.00 C ATOM 531 C SER A 37 43.469 13.403 -30.845 1.00 0.00 C ATOM 532 O SER A 37 42.512 12.713 -31.196 1.00 0.00 O ATOM 533 CB SER A 37 44.274 15.192 -32.394 1.00 0.00 C ATOM 534 OG SER A 37 44.384 16.174 -31.378 1.00 0.00 O ATOM 0 H SER A 37 43.814 12.796 -33.527 1.00 0.00 H new ATOM 0 HA SER A 37 45.514 13.803 -31.322 1.00 0.00 H new ATOM 0 HB2 SER A 37 44.975 15.416 -33.198 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.274 15.221 -32.826 1.00 0.00 H new ATOM 0 HG SER A 37 44.202 17.059 -31.757 1.00 0.00 H new ATOM 540 N CYS A 38 43.625 13.846 -29.604 1.00 0.00 N ATOM 541 CA CYS A 38 42.657 13.541 -28.558 1.00 0.00 C ATOM 542 C CYS A 38 42.603 14.665 -27.528 1.00 0.00 C ATOM 543 O CYS A 38 43.606 15.326 -27.263 1.00 0.00 O ATOM 544 CB CYS A 38 43.009 12.219 -27.870 1.00 0.00 C ATOM 545 SG CYS A 38 44.292 11.237 -28.722 1.00 0.00 S ATOM 0 H CYS A 38 44.412 14.417 -29.297 1.00 0.00 H new ATOM 0 HA CYS A 38 41.676 13.446 -29.023 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.346 12.431 -26.855 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.105 11.616 -27.786 1.00 0.00 H new ATOM 550 N GLN A 39 41.424 14.875 -26.953 1.00 0.00 N ATOM 551 CA GLN A 39 41.237 15.921 -25.954 1.00 0.00 C ATOM 552 C GLN A 39 41.259 15.340 -24.545 1.00 0.00 C ATOM 553 O GLN A 39 40.272 14.763 -24.087 1.00 0.00 O ATOM 554 CB GLN A 39 39.915 16.653 -26.194 1.00 0.00 C ATOM 555 CG GLN A 39 40.050 18.166 -26.208 1.00 0.00 C ATOM 556 CD GLN A 39 39.570 18.804 -24.918 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.673 19.646 -24.924 1.00 0.00 O ATOM 558 NE2 GLN A 39 40.170 18.403 -23.804 1.00 0.00 N ATOM 0 H GLN A 39 40.584 14.335 -27.161 1.00 0.00 H new ATOM 0 HA GLN A 39 42.061 16.629 -26.048 1.00 0.00 H new ATOM 0 HB2 GLN A 39 39.496 16.325 -27.145 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.205 16.367 -25.418 1.00 0.00 H new ATOM 0 HG2 GLN A 39 41.094 18.433 -26.375 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.480 18.571 -27.044 1.00 0.00 H new ATOM 0 HE21 GLN A 39 40.910 17.702 -23.847 1.00 0.00 H new ATOM 0 HE22 GLN A 39 39.892 18.796 -22.905 1.00 0.00 H new ATOM 636 N GLN A 45 30.687 22.093 -20.728 1.00 0.00 N ATOM 637 CA GLN A 45 29.721 22.905 -20.000 1.00 0.00 C ATOM 638 C GLN A 45 28.499 23.194 -20.866 1.00 0.00 C ATOM 639 O GLN A 45 28.457 22.824 -22.039 1.00 0.00 O ATOM 640 CB GLN A 45 30.361 24.219 -19.548 1.00 0.00 C ATOM 641 CG GLN A 45 31.864 24.122 -19.337 1.00 0.00 C ATOM 642 CD GLN A 45 32.309 24.738 -18.025 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.695 24.032 -17.093 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.257 26.063 -17.944 1.00 0.00 N ATOM 0 HA GLN A 45 29.402 22.346 -19.121 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.156 24.989 -20.292 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.892 24.541 -18.618 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.164 23.074 -19.363 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.376 24.620 -20.160 1.00 0.00 H new ATOM 0 HE21 GLN A 45 31.931 26.610 -18.741 1.00 0.00 H new ATOM 0 HE22 GLN A 45 32.544 26.533 -17.085 1.00 0.00 H new ATOM 653 N THR A 46 27.505 23.855 -20.283 1.00 0.00 N ATOM 654 CA THR A 46 26.284 24.189 -21.005 1.00 0.00 C ATOM 655 C THR A 46 25.660 25.472 -20.468 1.00 0.00 C ATOM 656 O THR A 46 25.983 25.919 -19.368 1.00 0.00 O ATOM 657 CB THR A 46 25.250 23.052 -20.917 1.00 0.00 C ATOM 658 OG1 THR A 46 24.921 22.794 -19.547 1.00 0.00 O ATOM 659 CG2 THR A 46 25.785 21.782 -21.562 1.00 0.00 C ATOM 0 H THR A 46 27.521 24.170 -19.313 1.00 0.00 H new ATOM 0 HA THR A 46 26.564 24.334 -22.048 1.00 0.00 H new ATOM 0 HB THR A 46 24.354 23.364 -21.454 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.530 21.899 -19.467 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.037 20.993 -21.487 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.008 21.973 -22.612 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.695 21.469 -21.049 1.00 0.00 H new ATOM 667 N TYR A 47 24.765 26.063 -21.255 1.00 0.00 N ATOM 668 CA TYR A 47 24.097 27.296 -20.859 1.00 0.00 C ATOM 669 C TYR A 47 22.986 27.656 -21.842 1.00 0.00 C ATOM 670 O TYR A 47 23.181 27.612 -23.057 1.00 0.00 O ATOM 671 CB TYR A 47 25.106 28.440 -20.776 1.00 0.00 C ATOM 672 CG TYR A 47 25.694 28.821 -22.115 1.00 0.00 C ATOM 673 CD1 TYR A 47 24.971 29.592 -23.016 1.00 0.00 C ATOM 674 CD2 TYR A 47 26.969 28.410 -22.479 1.00 0.00 C ATOM 675 CE1 TYR A 47 25.501 29.942 -24.243 1.00 0.00 C ATOM 676 CE2 TYR A 47 27.507 28.756 -23.704 1.00 0.00 C ATOM 677 CZ TYR A 47 26.770 29.521 -24.582 1.00 0.00 C ATOM 678 OH TYR A 47 27.302 29.868 -25.803 1.00 0.00 O ATOM 0 H TYR A 47 24.487 25.707 -22.170 1.00 0.00 H new ATOM 0 HA TYR A 47 23.651 27.138 -19.877 1.00 0.00 H new ATOM 0 HB2 TYR A 47 24.620 29.312 -20.340 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.913 28.154 -20.101 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.977 29.924 -22.753 1.00 0.00 H new ATOM 0 HD2 TYR A 47 27.550 27.810 -21.794 1.00 0.00 H new ATOM 0 HE1 TYR A 47 24.925 30.542 -24.932 1.00 0.00 H new ATOM 0 HE2 TYR A 47 28.501 28.428 -23.972 1.00 0.00 H new ATOM 0 HH TYR A 47 28.204 29.493 -25.885 1.00 0.00 H new ATOM 688 N GLY A 48 21.823 28.014 -21.308 1.00 0.00 N ATOM 689 CA GLY A 48 20.699 28.379 -22.150 1.00 0.00 C ATOM 690 C GLY A 48 20.224 27.229 -23.016 1.00 0.00 C ATOM 691 O GLY A 48 20.202 26.080 -22.576 1.00 0.00 O ATOM 0 H GLY A 48 21.639 28.058 -20.306 1.00 0.00 H new ATOM 0 HA2 GLY A 48 19.876 28.721 -21.523 1.00 0.00 H new ATOM 0 HA3 GLY A 48 20.984 29.216 -22.788 1.00 0.00 H new ATOM 695 N GLY A 49 19.843 27.539 -24.250 1.00 0.00 N ATOM 696 CA GLY A 49 19.370 26.514 -25.162 1.00 0.00 C ATOM 697 C GLY A 49 17.950 26.079 -24.858 1.00 0.00 C ATOM 698 O GLY A 49 17.208 26.790 -24.180 1.00 0.00 O ATOM 0 H GLY A 49 19.853 28.483 -24.636 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.421 26.890 -26.184 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.031 25.649 -25.107 1.00 0.00 H new ATOM 702 N ASN A 50 17.570 24.908 -25.360 1.00 0.00 N ATOM 703 CA ASN A 50 16.229 24.380 -25.136 1.00 0.00 C ATOM 704 C ASN A 50 16.105 23.791 -23.734 1.00 0.00 C ATOM 705 O ASN A 50 15.002 23.512 -23.263 1.00 0.00 O ATOM 706 CB ASN A 50 15.894 23.316 -26.182 1.00 0.00 C ATOM 707 CG ASN A 50 16.268 23.747 -27.586 1.00 0.00 C ATOM 708 OD1 ASN A 50 17.272 24.429 -27.792 1.00 0.00 O ATOM 709 ND2 ASN A 50 15.458 23.352 -28.562 1.00 0.00 N ATOM 0 H ASN A 50 18.171 24.307 -25.924 1.00 0.00 H new ATOM 0 HA ASN A 50 15.521 25.203 -25.229 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.418 22.392 -25.937 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.827 23.097 -26.144 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.658 23.613 -29.528 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.636 22.787 -28.346 1.00 0.00 H new ATOM 716 N SER A 51 17.243 23.602 -23.075 1.00 0.00 N ATOM 717 CA SER A 51 17.260 23.044 -21.727 1.00 0.00 C ATOM 718 C SER A 51 18.235 23.804 -20.834 1.00 0.00 C ATOM 719 O SER A 51 19.002 23.197 -20.086 1.00 0.00 O ATOM 720 CB SER A 51 17.639 21.563 -21.772 1.00 0.00 C ATOM 721 OG SER A 51 16.487 20.743 -21.855 1.00 0.00 O ATOM 0 H SER A 51 18.164 23.826 -23.451 1.00 0.00 H new ATOM 0 HA SER A 51 16.259 23.144 -21.307 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.285 21.376 -22.630 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.210 21.304 -20.881 1.00 0.00 H new ATOM 0 HG SER A 51 16.712 19.833 -21.568 1.00 0.00 H new ATOM 727 N ASN A 52 18.183 25.136 -20.914 1.00 0.00 N ATOM 728 CA ASN A 52 19.039 26.009 -20.120 1.00 0.00 C ATOM 729 C ASN A 52 20.309 25.302 -19.657 1.00 0.00 C ATOM 730 O ASN A 52 20.711 25.422 -18.500 1.00 0.00 O ATOM 731 CB ASN A 52 18.265 26.537 -18.923 1.00 0.00 C ATOM 732 CG ASN A 52 16.763 26.502 -19.133 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.104 25.509 -18.826 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.214 27.591 -19.660 1.00 0.00 N ATOM 0 H ASN A 52 17.545 25.636 -21.533 1.00 0.00 H new ATOM 0 HA ASN A 52 19.346 26.840 -20.755 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.518 25.946 -18.043 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.575 27.562 -18.719 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.208 27.626 -19.825 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.798 28.392 -19.900 1.00 0.00 H new ATOM 741 N GLY A 53 20.938 24.567 -20.568 1.00 0.00 N ATOM 742 CA GLY A 53 22.157 23.854 -20.233 1.00 0.00 C ATOM 743 C GLY A 53 21.953 22.839 -19.125 1.00 0.00 C ATOM 744 O GLY A 53 21.847 23.204 -17.953 1.00 0.00 O ATOM 0 H GLY A 53 20.626 24.452 -21.532 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.532 23.346 -21.121 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.920 24.570 -19.929 1.00 0.00 H new ATOM 748 N GLU A 54 21.903 21.564 -19.493 1.00 0.00 N ATOM 749 CA GLU A 54 21.715 20.494 -18.520 1.00 0.00 C ATOM 750 C GLU A 54 22.568 19.279 -18.881 1.00 0.00 C ATOM 751 O GLU A 54 23.134 19.207 -19.973 1.00 0.00 O ATOM 752 CB GLU A 54 20.232 20.106 -18.433 1.00 0.00 C ATOM 753 CG GLU A 54 19.856 18.874 -19.243 1.00 0.00 C ATOM 754 CD GLU A 54 18.460 18.373 -18.931 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.543 19.212 -18.799 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.282 17.142 -18.818 1.00 0.00 O ATOM 0 H GLU A 54 21.990 21.246 -20.458 1.00 0.00 H new ATOM 0 HA GLU A 54 22.036 20.856 -17.544 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.975 19.931 -17.388 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.628 20.947 -18.773 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.925 19.108 -20.305 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.576 18.080 -19.044 1.00 0.00 H new ATOM 763 N PRO A 55 22.669 18.307 -17.964 1.00 0.00 N ATOM 764 CA PRO A 55 23.452 17.090 -18.182 1.00 0.00 C ATOM 765 C PRO A 55 23.173 16.456 -19.542 1.00 0.00 C ATOM 766 O PRO A 55 22.157 15.787 -19.728 1.00 0.00 O ATOM 767 CB PRO A 55 22.984 16.166 -17.058 1.00 0.00 C ATOM 768 CG PRO A 55 22.559 17.087 -15.966 1.00 0.00 C ATOM 769 CD PRO A 55 22.020 18.321 -16.639 1.00 0.00 C ATOM 0 HA PRO A 55 24.524 17.287 -18.175 1.00 0.00 H new ATOM 0 HB2 PRO A 55 22.160 15.531 -17.384 1.00 0.00 H new ATOM 0 HB3 PRO A 55 23.785 15.504 -16.729 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.798 16.622 -15.340 1.00 0.00 H new ATOM 0 HG3 PRO A 55 23.399 17.334 -15.317 1.00 0.00 H new ATOM 0 HD2 PRO A 55 20.934 18.289 -16.725 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.269 19.223 -16.080 1.00 0.00 H new ATOM 777 N CYS A 56 24.081 16.670 -20.489 1.00 0.00 N ATOM 778 CA CYS A 56 23.927 16.116 -21.830 1.00 0.00 C ATOM 779 C CYS A 56 23.714 14.607 -21.769 1.00 0.00 C ATOM 780 O CYS A 56 24.041 13.964 -20.772 1.00 0.00 O ATOM 781 CB CYS A 56 25.153 16.442 -22.686 1.00 0.00 C ATOM 782 SG CYS A 56 25.687 18.182 -22.587 1.00 0.00 S ATOM 0 H CYS A 56 24.929 17.221 -20.354 1.00 0.00 H new ATOM 0 HA CYS A 56 23.048 16.570 -22.288 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.979 15.801 -22.378 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.932 16.199 -23.725 1.00 0.00 H new ATOM 787 N VAL A 57 23.157 14.047 -22.838 1.00 0.00 N ATOM 788 CA VAL A 57 22.892 12.615 -22.900 1.00 0.00 C ATOM 789 C VAL A 57 23.609 11.965 -24.080 1.00 0.00 C ATOM 790 O VAL A 57 22.981 11.560 -25.058 1.00 0.00 O ATOM 791 CB VAL A 57 21.381 12.332 -23.008 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.843 12.780 -24.357 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.097 10.855 -22.777 1.00 0.00 C ATOM 0 H VAL A 57 22.881 14.564 -23.673 1.00 0.00 H new ATOM 0 HA VAL A 57 23.272 12.184 -21.974 1.00 0.00 H new ATOM 0 HB VAL A 57 20.870 12.904 -22.234 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.775 12.570 -24.411 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.009 13.850 -24.478 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.359 12.241 -25.152 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.025 10.674 -22.857 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.622 10.262 -23.526 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.440 10.570 -21.782 1.00 0.00 H new ATOM 803 N LEU A 58 24.928 11.865 -23.982 1.00 0.00 N ATOM 804 CA LEU A 58 25.725 11.260 -25.043 1.00 0.00 C ATOM 805 C LEU A 58 26.303 9.921 -24.590 1.00 0.00 C ATOM 806 O LEU A 58 26.287 9.600 -23.401 1.00 0.00 O ATOM 807 CB LEU A 58 26.853 12.203 -25.474 1.00 0.00 C ATOM 808 CG LEU A 58 27.205 13.312 -24.476 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.026 14.248 -24.266 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.657 12.713 -23.152 1.00 0.00 C ATOM 0 H LEU A 58 25.468 12.194 -23.182 1.00 0.00 H new ATOM 0 HA LEU A 58 25.071 11.083 -25.897 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.748 11.609 -25.661 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.574 12.666 -26.421 1.00 0.00 H new ATOM 0 HG LEU A 58 28.028 13.894 -24.891 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.301 15.026 -23.554 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.752 14.706 -25.216 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.178 13.684 -23.877 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.903 13.514 -22.455 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.855 12.104 -22.736 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.537 12.091 -23.316 1.00 0.00 H new ATOM 822 N PRO A 59 26.815 9.117 -25.536 1.00 0.00 N ATOM 823 CA PRO A 59 26.847 9.471 -26.961 1.00 0.00 C ATOM 824 C PRO A 59 25.457 9.545 -27.581 1.00 0.00 C ATOM 825 O PRO A 59 24.660 8.616 -27.455 1.00 0.00 O ATOM 826 CB PRO A 59 27.640 8.326 -27.600 1.00 0.00 C ATOM 827 CG PRO A 59 27.495 7.185 -26.655 1.00 0.00 C ATOM 828 CD PRO A 59 27.413 7.794 -25.284 1.00 0.00 C ATOM 0 HA PRO A 59 27.284 10.458 -27.115 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.247 8.075 -28.585 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.687 8.597 -27.734 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.600 6.604 -26.878 1.00 0.00 H new ATOM 0 HG3 PRO A 59 28.344 6.505 -26.730 1.00 0.00 H new ATOM 0 HD2 PRO A 59 26.796 7.195 -24.614 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.397 7.879 -24.822 1.00 0.00 H new ATOM 836 N PHE A 60 25.179 10.648 -28.270 1.00 0.00 N ATOM 837 CA PHE A 60 23.891 10.826 -28.929 1.00 0.00 C ATOM 838 C PHE A 60 24.057 10.717 -30.436 1.00 0.00 C ATOM 839 O PHE A 60 25.177 10.676 -30.942 1.00 0.00 O ATOM 840 CB PHE A 60 23.275 12.179 -28.571 1.00 0.00 C ATOM 841 CG PHE A 60 24.241 13.323 -28.654 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.525 13.920 -29.871 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.860 13.804 -27.514 1.00 0.00 C ATOM 844 CE1 PHE A 60 25.411 14.977 -29.948 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.749 14.861 -27.584 1.00 0.00 C ATOM 846 CZ PHE A 60 26.024 15.448 -28.803 1.00 0.00 C ATOM 0 H PHE A 60 25.826 11.428 -28.386 1.00 0.00 H new ATOM 0 HA PHE A 60 23.220 10.040 -28.582 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.436 12.374 -29.239 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.872 12.128 -27.560 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.049 13.555 -30.769 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.646 13.349 -26.558 1.00 0.00 H new ATOM 0 HE1 PHE A 60 25.624 15.435 -30.903 1.00 0.00 H new ATOM 0 HE2 PHE A 60 26.227 15.226 -26.687 1.00 0.00 H new ATOM 0 HZ PHE A 60 26.717 16.274 -28.861 1.00 0.00 H new ATOM 856 N THR A 61 22.943 10.671 -31.153 1.00 0.00 N ATOM 857 CA THR A 61 22.988 10.567 -32.606 1.00 0.00 C ATOM 858 C THR A 61 22.310 11.757 -33.270 1.00 0.00 C ATOM 859 O THR A 61 21.145 12.054 -33.001 1.00 0.00 O ATOM 860 CB THR A 61 22.324 9.269 -33.103 1.00 0.00 C ATOM 861 OG1 THR A 61 22.040 8.406 -31.996 1.00 0.00 O ATOM 862 CG2 THR A 61 23.227 8.551 -34.095 1.00 0.00 C ATOM 0 H THR A 61 22.004 10.704 -30.757 1.00 0.00 H new ATOM 0 HA THR A 61 24.042 10.555 -32.883 1.00 0.00 H new ATOM 0 HB THR A 61 21.392 9.531 -33.604 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.617 7.584 -32.322 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.740 7.637 -34.434 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.417 9.200 -34.950 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.172 8.301 -33.612 1.00 0.00 H new ATOM 870 N TYR A 62 23.049 12.435 -34.139 1.00 0.00 N ATOM 871 CA TYR A 62 22.522 13.593 -34.848 1.00 0.00 C ATOM 872 C TYR A 62 22.896 13.539 -36.325 1.00 0.00 C ATOM 873 O TYR A 62 24.075 13.471 -36.676 1.00 0.00 O ATOM 874 CB TYR A 62 23.050 14.886 -34.225 1.00 0.00 C ATOM 875 CG TYR A 62 22.725 16.117 -35.036 1.00 0.00 C ATOM 876 CD1 TYR A 62 21.413 16.544 -35.188 1.00 0.00 C ATOM 877 CD2 TYR A 62 23.731 16.853 -35.650 1.00 0.00 C ATOM 878 CE1 TYR A 62 21.110 17.669 -35.931 1.00 0.00 C ATOM 879 CE2 TYR A 62 23.437 17.980 -36.394 1.00 0.00 C ATOM 880 CZ TYR A 62 22.125 18.384 -36.532 1.00 0.00 C ATOM 881 OH TYR A 62 21.829 19.506 -37.271 1.00 0.00 O ATOM 0 H TYR A 62 24.015 12.203 -34.369 1.00 0.00 H new ATOM 0 HA TYR A 62 21.435 13.576 -34.763 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.630 14.997 -33.225 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.131 14.810 -34.110 1.00 0.00 H new ATOM 0 HD1 TYR A 62 20.616 15.988 -34.718 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.759 16.539 -35.544 1.00 0.00 H new ATOM 0 HE1 TYR A 62 20.084 17.987 -36.041 1.00 0.00 H new ATOM 0 HE2 TYR A 62 24.230 18.542 -36.865 1.00 0.00 H new ATOM 0 HH TYR A 62 21.021 19.930 -36.913 1.00 0.00 H new ATOM 891 N ASN A 63 21.885 13.569 -37.186 1.00 0.00 N ATOM 892 CA ASN A 63 22.109 13.522 -38.625 1.00 0.00 C ATOM 893 C ASN A 63 22.591 12.141 -39.060 1.00 0.00 C ATOM 894 O ASN A 63 22.909 11.926 -40.230 1.00 0.00 O ATOM 895 CB ASN A 63 23.128 14.585 -39.034 1.00 0.00 C ATOM 896 CG ASN A 63 22.703 15.347 -40.271 1.00 0.00 C ATOM 897 OD1 ASN A 63 23.195 15.094 -41.372 1.00 0.00 O ATOM 898 ND2 ASN A 63 21.782 16.286 -40.097 1.00 0.00 N ATOM 0 H ASN A 63 20.904 13.626 -36.913 1.00 0.00 H new ATOM 0 HA ASN A 63 21.161 13.725 -39.123 1.00 0.00 H new ATOM 0 HB2 ASN A 63 23.269 15.285 -38.210 1.00 0.00 H new ATOM 0 HB3 ASN A 63 24.092 14.109 -39.217 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.454 16.832 -40.893 1.00 0.00 H new ATOM 0 HD22 ASN A 63 21.402 16.462 -39.167 1.00 0.00 H new ATOM 905 N GLY A 64 22.642 11.208 -38.115 1.00 0.00 N ATOM 906 CA GLY A 64 23.083 9.860 -38.428 1.00 0.00 C ATOM 907 C GLY A 64 24.397 9.505 -37.759 1.00 0.00 C ATOM 908 O GLY A 64 24.734 8.328 -37.626 1.00 0.00 O ATOM 0 H GLY A 64 22.386 11.360 -37.139 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.317 9.150 -38.116 1.00 0.00 H new ATOM 0 HA3 GLY A 64 23.191 9.759 -39.508 1.00 0.00 H new ATOM 912 N ARG A 65 25.141 10.522 -37.336 1.00 0.00 N ATOM 913 CA ARG A 65 26.424 10.306 -36.677 1.00 0.00 C ATOM 914 C ARG A 65 26.255 10.298 -35.161 1.00 0.00 C ATOM 915 O ARG A 65 25.135 10.260 -34.655 1.00 0.00 O ATOM 916 CB ARG A 65 27.423 11.388 -37.092 1.00 0.00 C ATOM 917 CG ARG A 65 26.907 12.804 -36.887 1.00 0.00 C ATOM 918 CD ARG A 65 26.480 13.432 -38.204 1.00 0.00 C ATOM 919 NE ARG A 65 26.099 14.833 -38.046 1.00 0.00 N ATOM 920 CZ ARG A 65 26.230 15.746 -39.001 1.00 0.00 C ATOM 921 NH1 ARG A 65 26.714 15.405 -40.189 1.00 0.00 N ATOM 922 NH2 ARG A 65 25.875 17.003 -38.773 1.00 0.00 N ATOM 0 H ARG A 65 24.878 11.502 -37.438 1.00 0.00 H new ATOM 0 HA ARG A 65 26.810 9.335 -36.986 1.00 0.00 H new ATOM 0 HB2 ARG A 65 28.343 11.259 -36.522 1.00 0.00 H new ATOM 0 HB3 ARG A 65 27.678 11.252 -38.143 1.00 0.00 H new ATOM 0 HG2 ARG A 65 26.063 12.789 -36.198 1.00 0.00 H new ATOM 0 HG3 ARG A 65 27.684 13.413 -36.426 1.00 0.00 H new ATOM 0 HD2 ARG A 65 27.296 13.357 -38.922 1.00 0.00 H new ATOM 0 HD3 ARG A 65 25.640 12.873 -38.617 1.00 0.00 H new ATOM 0 HE ARG A 65 25.710 15.127 -37.150 1.00 0.00 H new ATOM 0 HH11 ARG A 65 26.987 14.439 -40.370 1.00 0.00 H new ATOM 0 HH12 ARG A 65 26.813 16.109 -40.920 1.00 0.00 H new ATOM 0 HH21 ARG A 65 25.501 17.270 -37.863 1.00 0.00 H new ATOM 0 HH22 ARG A 65 25.976 17.703 -39.508 1.00 0.00 H new ATOM 936 N THR A 66 27.372 10.327 -34.440 1.00 0.00 N ATOM 937 CA THR A 66 27.335 10.318 -32.982 1.00 0.00 C ATOM 938 C THR A 66 28.331 11.314 -32.396 1.00 0.00 C ATOM 939 O THR A 66 29.289 11.713 -33.059 1.00 0.00 O ATOM 940 CB THR A 66 27.636 8.913 -32.422 1.00 0.00 C ATOM 941 OG1 THR A 66 26.712 7.961 -32.965 1.00 0.00 O ATOM 942 CG2 THR A 66 27.548 8.898 -30.902 1.00 0.00 C ATOM 0 H THR A 66 28.310 10.357 -34.840 1.00 0.00 H new ATOM 0 HA THR A 66 26.326 10.609 -32.690 1.00 0.00 H new ATOM 0 HB THR A 66 28.652 8.645 -32.712 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.910 7.071 -32.606 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.765 7.895 -30.535 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.272 9.600 -30.489 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.544 9.188 -30.593 1.00 0.00 H new ATOM 950 N PHE A 67 28.100 11.709 -31.148 1.00 0.00 N ATOM 951 CA PHE A 67 28.979 12.656 -30.473 1.00 0.00 C ATOM 952 C PHE A 67 29.093 12.336 -28.985 1.00 0.00 C ATOM 953 O PHE A 67 28.116 11.942 -28.345 1.00 0.00 O ATOM 954 CB PHE A 67 28.463 14.081 -30.664 1.00 0.00 C ATOM 955 CG PHE A 67 28.000 14.364 -32.064 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.874 13.738 -32.576 1.00 0.00 C ATOM 957 CD2 PHE A 67 28.692 15.254 -32.869 1.00 0.00 C ATOM 958 CE1 PHE A 67 26.448 13.996 -33.865 1.00 0.00 C ATOM 959 CE2 PHE A 67 28.271 15.515 -34.159 1.00 0.00 C ATOM 960 CZ PHE A 67 27.148 14.885 -34.657 1.00 0.00 C ATOM 0 H PHE A 67 27.313 11.388 -30.585 1.00 0.00 H new ATOM 0 HA PHE A 67 29.971 12.572 -30.916 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.638 14.256 -29.974 1.00 0.00 H new ATOM 0 HB3 PHE A 67 29.253 14.784 -30.401 1.00 0.00 H new ATOM 0 HD1 PHE A 67 26.324 13.041 -31.961 1.00 0.00 H new ATOM 0 HD2 PHE A 67 29.571 15.750 -32.484 1.00 0.00 H new ATOM 0 HE1 PHE A 67 25.569 13.503 -34.253 1.00 0.00 H new ATOM 0 HE2 PHE A 67 28.820 16.211 -34.777 1.00 0.00 H new ATOM 0 HZ PHE A 67 26.817 15.087 -35.665 1.00 0.00 H new ATOM 970 N TYR A 68 30.298 12.504 -28.444 1.00 0.00 N ATOM 971 CA TYR A 68 30.560 12.234 -27.035 1.00 0.00 C ATOM 972 C TYR A 68 30.480 13.514 -26.211 1.00 0.00 C ATOM 973 O TYR A 68 31.116 13.627 -25.163 1.00 0.00 O ATOM 974 CB TYR A 68 31.941 11.597 -26.878 1.00 0.00 C ATOM 975 CG TYR A 68 32.042 10.221 -27.491 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.902 9.469 -27.731 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.273 9.676 -27.835 1.00 0.00 C ATOM 978 CE1 TYR A 68 30.981 8.210 -28.294 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.363 8.419 -28.400 1.00 0.00 C ATOM 980 CZ TYR A 68 32.213 7.689 -28.628 1.00 0.00 C ATOM 981 OH TYR A 68 32.298 6.437 -29.192 1.00 0.00 O ATOM 0 H TYR A 68 31.112 12.828 -28.966 1.00 0.00 H new ATOM 0 HA TYR A 68 29.799 11.545 -26.669 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.686 12.246 -27.337 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.184 11.533 -25.817 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.935 9.875 -27.473 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.174 10.245 -27.658 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.083 7.637 -28.472 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.327 8.009 -28.662 1.00 0.00 H new ATOM 0 HH TYR A 68 33.237 6.220 -29.368 1.00 0.00 H new ATOM 991 N SER A 69 29.699 14.473 -26.695 1.00 0.00 N ATOM 992 CA SER A 69 29.536 15.748 -26.007 1.00 0.00 C ATOM 993 C SER A 69 29.074 16.828 -26.979 1.00 0.00 C ATOM 994 O SER A 69 28.712 16.537 -28.120 1.00 0.00 O ATOM 995 CB SER A 69 30.851 16.168 -25.347 1.00 0.00 C ATOM 996 OG SER A 69 30.902 15.739 -23.996 1.00 0.00 O ATOM 0 H SER A 69 29.168 14.391 -27.562 1.00 0.00 H new ATOM 0 HA SER A 69 28.776 15.625 -25.236 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.690 15.744 -25.899 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.955 17.252 -25.392 1.00 0.00 H new ATOM 0 HG SER A 69 30.729 14.775 -23.952 1.00 0.00 H new ATOM 1002 N CYS A 70 29.091 18.074 -26.520 1.00 0.00 N ATOM 1003 CA CYS A 70 28.678 19.199 -27.348 1.00 0.00 C ATOM 1004 C CYS A 70 29.309 19.112 -28.732 1.00 0.00 C ATOM 1005 O CYS A 70 30.104 18.213 -29.006 1.00 0.00 O ATOM 1006 CB CYS A 70 29.064 20.517 -26.677 1.00 0.00 C ATOM 1007 SG CYS A 70 28.779 20.552 -24.877 1.00 0.00 S ATOM 0 H CYS A 70 29.387 18.330 -25.578 1.00 0.00 H new ATOM 0 HA CYS A 70 27.595 19.162 -27.461 1.00 0.00 H new ATOM 0 HB2 CYS A 70 30.118 20.715 -26.870 1.00 0.00 H new ATOM 0 HB3 CYS A 70 28.498 21.326 -27.139 1.00 0.00 H new ATOM 1012 N THR A 71 28.951 20.050 -29.603 1.00 0.00 N ATOM 1013 CA THR A 71 29.485 20.073 -30.960 1.00 0.00 C ATOM 1014 C THR A 71 28.849 21.186 -31.783 1.00 0.00 C ATOM 1015 O THR A 71 27.894 21.829 -31.345 1.00 0.00 O ATOM 1016 CB THR A 71 29.253 18.732 -31.677 1.00 0.00 C ATOM 1017 OG1 THR A 71 29.870 18.754 -32.970 1.00 0.00 O ATOM 1018 CG2 THR A 71 27.764 18.454 -31.826 1.00 0.00 C ATOM 0 H THR A 71 28.295 20.803 -29.394 1.00 0.00 H new ATOM 0 HA THR A 71 30.557 20.253 -30.873 1.00 0.00 H new ATOM 0 HB THR A 71 29.699 17.940 -31.076 1.00 0.00 H new ATOM 0 HG1 THR A 71 29.785 17.872 -33.388 1.00 0.00 H new ATOM 0 HG21 THR A 71 27.621 17.501 -32.336 1.00 0.00 H new ATOM 0 HG22 THR A 71 27.301 18.411 -30.840 1.00 0.00 H new ATOM 0 HG23 THR A 71 27.302 19.250 -32.409 1.00 0.00 H new ATOM 1026 N THR A 72 29.379 21.402 -32.981 1.00 0.00 N ATOM 1027 CA THR A 72 28.862 22.431 -33.872 1.00 0.00 C ATOM 1028 C THR A 72 28.636 21.870 -35.272 1.00 0.00 C ATOM 1029 O THR A 72 29.076 22.451 -36.264 1.00 0.00 O ATOM 1030 CB THR A 72 29.820 23.634 -33.958 1.00 0.00 C ATOM 1031 OG1 THR A 72 31.133 23.192 -34.323 1.00 0.00 O ATOM 1032 CG2 THR A 72 29.879 24.371 -32.629 1.00 0.00 C ATOM 0 H THR A 72 30.168 20.877 -33.357 1.00 0.00 H new ATOM 0 HA THR A 72 27.912 22.767 -33.457 1.00 0.00 H new ATOM 0 HB THR A 72 29.444 24.317 -34.720 1.00 0.00 H new ATOM 0 HG1 THR A 72 31.735 23.964 -34.377 1.00 0.00 H new ATOM 0 HG21 THR A 72 30.561 25.217 -32.712 1.00 0.00 H new ATOM 0 HG22 THR A 72 28.884 24.732 -32.368 1.00 0.00 H new ATOM 0 HG23 THR A 72 30.234 23.693 -31.853 1.00 0.00 H new ATOM 1040 N GLU A 73 27.956 20.730 -35.342 1.00 0.00 N ATOM 1041 CA GLU A 73 27.679 20.077 -36.618 1.00 0.00 C ATOM 1042 C GLU A 73 26.248 20.342 -37.078 1.00 0.00 C ATOM 1043 O GLU A 73 25.756 19.697 -38.003 1.00 0.00 O ATOM 1044 CB GLU A 73 27.906 18.572 -36.494 1.00 0.00 C ATOM 1045 CG GLU A 73 29.287 18.127 -36.944 1.00 0.00 C ATOM 1046 CD GLU A 73 29.447 18.160 -38.452 1.00 0.00 C ATOM 1047 OE1 GLU A 73 29.322 19.256 -39.038 1.00 0.00 O ATOM 1048 OE2 GLU A 73 29.697 17.091 -39.046 1.00 0.00 O ATOM 0 H GLU A 73 27.586 20.238 -34.529 1.00 0.00 H new ATOM 0 HA GLU A 73 28.360 20.491 -37.361 1.00 0.00 H new ATOM 0 HB2 GLU A 73 27.758 18.275 -35.456 1.00 0.00 H new ATOM 0 HB3 GLU A 73 27.154 18.049 -37.085 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.039 18.771 -36.488 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.474 17.115 -36.584 1.00 0.00 H new ATOM 1055 N GLY A 74 25.590 21.293 -36.431 1.00 0.00 N ATOM 1056 CA GLY A 74 24.225 21.625 -36.792 1.00 0.00 C ATOM 1057 C GLY A 74 23.829 23.003 -36.312 1.00 0.00 C ATOM 1058 O GLY A 74 22.693 23.223 -35.895 1.00 0.00 O ATOM 0 H GLY A 74 25.976 21.841 -35.662 1.00 0.00 H new ATOM 0 HA2 GLY A 74 24.114 21.573 -37.875 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.548 20.885 -36.366 1.00 0.00 H new ATOM 1122 N HIS A 79 28.147 27.723 -32.513 1.00 0.00 N ATOM 1123 CA HIS A 79 28.024 27.542 -31.070 1.00 0.00 C ATOM 1124 C HIS A 79 27.952 26.061 -30.710 1.00 0.00 C ATOM 1125 O HIS A 79 27.180 25.305 -31.298 1.00 0.00 O ATOM 1126 CB HIS A 79 26.780 28.265 -30.548 1.00 0.00 C ATOM 1127 CG HIS A 79 26.448 29.511 -31.310 1.00 0.00 C ATOM 1128 ND1 HIS A 79 25.166 29.831 -31.705 1.00 0.00 N ATOM 1129 CD2 HIS A 79 27.238 30.520 -31.746 1.00 0.00 C ATOM 1130 CE1 HIS A 79 25.183 30.983 -32.355 1.00 0.00 C ATOM 1131 NE2 HIS A 79 26.428 31.421 -32.393 1.00 0.00 N ATOM 0 HA HIS A 79 28.910 27.969 -30.600 1.00 0.00 H new ATOM 0 HB2 HIS A 79 25.929 27.585 -30.591 1.00 0.00 H new ATOM 0 HB3 HIS A 79 26.931 28.520 -29.499 1.00 0.00 H new ATOM 0 HD2 HIS A 79 28.306 30.601 -31.610 1.00 0.00 H new ATOM 0 HE1 HIS A 79 24.325 31.481 -32.782 1.00 0.00 H new ATOM 0 HE2 HIS A 79 26.738 32.288 -32.832 1.00 0.00 H new ATOM 1140 N LEU A 80 28.762 25.653 -29.739 1.00 0.00 N ATOM 1141 CA LEU A 80 28.789 24.263 -29.300 1.00 0.00 C ATOM 1142 C LEU A 80 27.482 23.894 -28.604 1.00 0.00 C ATOM 1143 O LEU A 80 27.027 24.601 -27.705 1.00 0.00 O ATOM 1144 CB LEU A 80 29.965 24.030 -28.350 1.00 0.00 C ATOM 1145 CG LEU A 80 31.302 23.730 -29.030 1.00 0.00 C ATOM 1146 CD1 LEU A 80 31.816 24.955 -29.768 1.00 0.00 C ATOM 1147 CD2 LEU A 80 32.323 23.256 -28.006 1.00 0.00 C ATOM 0 H LEU A 80 29.408 26.265 -29.241 1.00 0.00 H new ATOM 0 HA LEU A 80 28.909 23.630 -30.179 1.00 0.00 H new ATOM 0 HB2 LEU A 80 30.085 24.913 -27.722 1.00 0.00 H new ATOM 0 HB3 LEU A 80 29.718 23.200 -27.688 1.00 0.00 H new ATOM 0 HG LEU A 80 31.146 22.934 -29.758 1.00 0.00 H new ATOM 0 HD11 LEU A 80 32.768 24.720 -30.244 1.00 0.00 H new ATOM 0 HD12 LEU A 80 31.093 25.252 -30.528 1.00 0.00 H new ATOM 0 HD13 LEU A 80 31.956 25.773 -29.062 1.00 0.00 H new ATOM 0 HD21 LEU A 80 33.269 23.047 -28.505 1.00 0.00 H new ATOM 0 HD22 LEU A 80 32.473 24.032 -27.255 1.00 0.00 H new ATOM 0 HD23 LEU A 80 31.959 22.349 -27.523 1.00 0.00 H new ATOM 1159 N TRP A 81 26.881 22.786 -29.025 1.00 0.00 N ATOM 1160 CA TRP A 81 25.625 22.332 -28.437 1.00 0.00 C ATOM 1161 C TRP A 81 25.644 20.828 -28.191 1.00 0.00 C ATOM 1162 O TRP A 81 26.339 20.082 -28.881 1.00 0.00 O ATOM 1163 CB TRP A 81 24.453 22.690 -29.350 1.00 0.00 C ATOM 1164 CG TRP A 81 24.573 22.106 -30.723 1.00 0.00 C ATOM 1165 CD1 TRP A 81 25.139 22.695 -31.815 1.00 0.00 C ATOM 1166 CD2 TRP A 81 24.120 20.816 -31.152 1.00 0.00 C ATOM 1167 NE1 TRP A 81 25.064 21.853 -32.898 1.00 0.00 N ATOM 1168 CE2 TRP A 81 24.443 20.693 -32.516 1.00 0.00 C ATOM 1169 CE3 TRP A 81 23.473 19.753 -30.515 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 24.141 19.551 -33.254 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 23.173 18.620 -31.248 1.00 0.00 C ATOM 1172 CH2 TRP A 81 23.507 18.527 -32.606 1.00 0.00 C ATOM 0 H TRP A 81 27.241 22.188 -29.768 1.00 0.00 H new ATOM 0 HA TRP A 81 25.504 22.836 -27.478 1.00 0.00 H new ATOM 0 HB2 TRP A 81 23.526 22.341 -28.894 1.00 0.00 H new ATOM 0 HB3 TRP A 81 24.381 23.775 -29.429 1.00 0.00 H new ATOM 0 HD1 TRP A 81 25.582 23.680 -31.827 1.00 0.00 H new ATOM 0 HE1 TRP A 81 25.414 22.058 -33.834 1.00 0.00 H new ATOM 0 HE3 TRP A 81 23.212 19.816 -29.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 24.398 19.477 -34.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 22.673 17.793 -30.766 1.00 0.00 H new ATOM 0 HH2 TRP A 81 23.259 17.629 -33.152 1.00 0.00 H new ATOM 1183 N CYS A 82 24.866 20.391 -27.207 1.00 0.00 N ATOM 1184 CA CYS A 82 24.779 18.976 -26.867 1.00 0.00 C ATOM 1185 C CYS A 82 23.321 18.557 -26.709 1.00 0.00 C ATOM 1186 O CYS A 82 22.423 19.400 -26.705 1.00 0.00 O ATOM 1187 CB CYS A 82 25.549 18.690 -25.577 1.00 0.00 C ATOM 1188 SG CYS A 82 24.629 19.097 -24.058 1.00 0.00 S ATOM 0 H CYS A 82 24.285 20.999 -26.629 1.00 0.00 H new ATOM 0 HA CYS A 82 25.225 18.399 -27.677 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.819 17.634 -25.554 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.480 19.257 -25.588 1.00 0.00 H new ATOM 1193 N SER A 83 23.089 17.257 -26.578 1.00 0.00 N ATOM 1194 CA SER A 83 21.733 16.742 -26.417 1.00 0.00 C ATOM 1195 C SER A 83 21.477 16.341 -24.968 1.00 0.00 C ATOM 1196 O SER A 83 22.394 15.936 -24.256 1.00 0.00 O ATOM 1197 CB SER A 83 21.500 15.550 -27.348 1.00 0.00 C ATOM 1198 OG SER A 83 21.103 14.402 -26.620 1.00 0.00 O ATOM 0 H SER A 83 23.817 16.543 -26.580 1.00 0.00 H new ATOM 0 HA SER A 83 21.033 17.534 -26.683 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.734 15.802 -28.081 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.413 15.334 -27.903 1.00 0.00 H new ATOM 0 HG SER A 83 20.959 13.656 -27.239 1.00 0.00 H new ATOM 1204 N THR A 84 20.225 16.460 -24.535 1.00 0.00 N ATOM 1205 CA THR A 84 19.853 16.115 -23.168 1.00 0.00 C ATOM 1206 C THR A 84 18.941 14.894 -23.137 1.00 0.00 C ATOM 1207 O THR A 84 18.874 14.183 -22.134 1.00 0.00 O ATOM 1208 CB THR A 84 19.146 17.289 -22.466 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.749 17.283 -22.785 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.757 18.619 -22.882 1.00 0.00 C ATOM 0 H THR A 84 19.452 16.793 -25.111 1.00 0.00 H new ATOM 0 HA THR A 84 20.777 15.887 -22.637 1.00 0.00 H new ATOM 0 HB THR A 84 19.275 17.168 -21.390 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.307 18.032 -22.333 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.240 19.432 -22.372 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.813 18.635 -22.612 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.656 18.744 -23.960 1.00 0.00 H new ATOM 1218 N THR A 85 18.241 14.655 -24.242 1.00 0.00 N ATOM 1219 CA THR A 85 17.333 13.519 -24.345 1.00 0.00 C ATOM 1220 C THR A 85 17.832 12.511 -25.377 1.00 0.00 C ATOM 1221 O THR A 85 18.121 12.870 -26.519 1.00 0.00 O ATOM 1222 CB THR A 85 15.911 13.967 -24.732 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.389 14.856 -23.736 1.00 0.00 O ATOM 1224 CG2 THR A 85 14.986 12.769 -24.885 1.00 0.00 C ATOM 0 H THR A 85 18.286 15.235 -25.080 1.00 0.00 H new ATOM 0 HA THR A 85 17.303 13.049 -23.362 1.00 0.00 H new ATOM 0 HB THR A 85 15.966 14.486 -25.689 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.441 15.028 -23.916 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.988 13.112 -25.158 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.369 12.110 -25.664 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.937 12.225 -23.942 1.00 0.00 H new ATOM 1232 N SER A 86 17.931 11.250 -24.968 1.00 0.00 N ATOM 1233 CA SER A 86 18.395 10.193 -25.859 1.00 0.00 C ATOM 1234 C SER A 86 17.802 10.365 -27.255 1.00 0.00 C ATOM 1235 O SER A 86 18.424 10.002 -28.253 1.00 0.00 O ATOM 1236 CB SER A 86 18.022 8.820 -25.295 1.00 0.00 C ATOM 1237 OG SER A 86 17.121 8.141 -26.154 1.00 0.00 O ATOM 0 H SER A 86 17.696 10.936 -24.026 1.00 0.00 H new ATOM 0 HA SER A 86 19.480 10.261 -25.933 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.923 8.221 -25.162 1.00 0.00 H new ATOM 0 HB3 SER A 86 17.570 8.939 -24.310 1.00 0.00 H new ATOM 0 HG SER A 86 16.900 7.266 -25.771 1.00 0.00 H new ATOM 1243 N ASN A 87 16.597 10.922 -27.313 1.00 0.00 N ATOM 1244 CA ASN A 87 15.917 11.145 -28.584 1.00 0.00 C ATOM 1245 C ASN A 87 15.799 12.637 -28.886 1.00 0.00 C ATOM 1246 O ASN A 87 14.756 13.244 -28.651 1.00 0.00 O ATOM 1247 CB ASN A 87 14.524 10.512 -28.558 1.00 0.00 C ATOM 1248 CG ASN A 87 14.269 9.620 -29.756 1.00 0.00 C ATOM 1249 OD1 ASN A 87 13.646 8.565 -29.637 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.751 10.039 -30.920 1.00 0.00 N ATOM 0 H ASN A 87 16.071 11.227 -26.494 1.00 0.00 H new ATOM 0 HA ASN A 87 16.510 10.678 -29.370 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.411 9.929 -27.644 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.771 11.300 -28.529 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.611 9.480 -31.761 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.262 10.920 -30.973 1.00 0.00 H new ATOM 1257 N TYR A 88 16.873 13.219 -29.410 1.00 0.00 N ATOM 1258 CA TYR A 88 16.882 14.637 -29.745 1.00 0.00 C ATOM 1259 C TYR A 88 16.149 14.886 -31.059 1.00 0.00 C ATOM 1260 O TYR A 88 15.660 15.986 -31.311 1.00 0.00 O ATOM 1261 CB TYR A 88 18.321 15.151 -29.844 1.00 0.00 C ATOM 1262 CG TYR A 88 18.456 16.420 -30.656 1.00 0.00 C ATOM 1263 CD1 TYR A 88 18.333 17.667 -30.057 1.00 0.00 C ATOM 1264 CD2 TYR A 88 18.705 16.369 -32.022 1.00 0.00 C ATOM 1265 CE1 TYR A 88 18.455 18.828 -30.796 1.00 0.00 C ATOM 1266 CE2 TYR A 88 18.828 17.526 -32.768 1.00 0.00 C ATOM 1267 CZ TYR A 88 18.703 18.753 -32.150 1.00 0.00 C ATOM 1268 OH TYR A 88 18.825 19.907 -32.889 1.00 0.00 O ATOM 0 H TYR A 88 17.746 12.731 -29.611 1.00 0.00 H new ATOM 0 HA TYR A 88 16.366 15.177 -28.952 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.704 15.330 -28.839 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.945 14.376 -30.290 1.00 0.00 H new ATOM 0 HD1 TYR A 88 18.139 17.730 -28.996 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.804 15.410 -32.509 1.00 0.00 H new ATOM 0 HE1 TYR A 88 18.357 19.790 -30.315 1.00 0.00 H new ATOM 0 HE2 TYR A 88 19.021 17.470 -33.829 1.00 0.00 H new ATOM 0 HH TYR A 88 19.000 19.679 -33.826 1.00 0.00 H new ATOM 1278 N GLU A 89 16.078 13.853 -31.893 1.00 0.00 N ATOM 1279 CA GLU A 89 15.405 13.959 -33.182 1.00 0.00 C ATOM 1280 C GLU A 89 13.889 13.945 -33.012 1.00 0.00 C ATOM 1281 O GLU A 89 13.146 14.170 -33.967 1.00 0.00 O ATOM 1282 CB GLU A 89 15.839 12.816 -34.102 1.00 0.00 C ATOM 1283 CG GLU A 89 17.244 12.983 -34.657 1.00 0.00 C ATOM 1284 CD GLU A 89 17.316 12.727 -36.150 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.255 12.490 -36.764 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.434 12.766 -36.706 1.00 0.00 O ATOM 0 H GLU A 89 16.478 12.935 -31.699 1.00 0.00 H new ATOM 0 HA GLU A 89 15.690 14.909 -33.634 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.784 11.877 -33.552 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.136 12.741 -34.932 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.595 13.993 -34.448 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.918 12.298 -34.142 1.00 0.00 H new ATOM 1293 N GLN A 90 13.435 13.680 -31.790 1.00 0.00 N ATOM 1294 CA GLN A 90 12.007 13.638 -31.500 1.00 0.00 C ATOM 1295 C GLN A 90 11.642 14.639 -30.406 1.00 0.00 C ATOM 1296 O GLN A 90 10.530 15.167 -30.381 1.00 0.00 O ATOM 1297 CB GLN A 90 11.587 12.224 -31.088 1.00 0.00 C ATOM 1298 CG GLN A 90 11.661 11.971 -29.592 1.00 0.00 C ATOM 1299 CD GLN A 90 10.293 11.936 -28.938 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.485 11.048 -29.210 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.027 12.905 -28.070 1.00 0.00 N ATOM 0 H GLN A 90 14.035 13.492 -30.987 1.00 0.00 H new ATOM 0 HA GLN A 90 11.469 13.914 -32.407 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.566 12.046 -31.427 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.224 11.503 -31.600 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.170 11.024 -29.412 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.263 12.750 -29.125 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.727 13.621 -27.875 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.123 12.933 -27.599 1.00 0.00 H new ATOM 1310 N ASP A 91 12.584 14.894 -29.504 1.00 0.00 N ATOM 1311 CA ASP A 91 12.362 15.830 -28.409 1.00 0.00 C ATOM 1312 C ASP A 91 12.795 17.239 -28.801 1.00 0.00 C ATOM 1313 O ASP A 91 12.050 18.202 -28.621 1.00 0.00 O ATOM 1314 CB ASP A 91 13.123 15.379 -27.162 1.00 0.00 C ATOM 1315 CG ASP A 91 12.222 15.245 -25.949 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.009 15.511 -26.080 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.730 14.876 -24.870 1.00 0.00 O ATOM 0 H ASP A 91 13.509 14.465 -29.510 1.00 0.00 H new ATOM 0 HA ASP A 91 11.295 15.845 -28.189 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.605 14.422 -27.361 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.915 16.095 -26.945 1.00 0.00 H new ATOM 1322 N GLN A 92 14.006 17.351 -29.339 1.00 0.00 N ATOM 1323 CA GLN A 92 14.540 18.641 -29.758 1.00 0.00 C ATOM 1324 C GLN A 92 15.166 19.376 -28.578 1.00 0.00 C ATOM 1325 O GLN A 92 15.352 20.592 -28.618 1.00 0.00 O ATOM 1326 CB GLN A 92 13.436 19.498 -30.380 1.00 0.00 C ATOM 1327 CG GLN A 92 13.875 20.238 -31.633 1.00 0.00 C ATOM 1328 CD GLN A 92 13.302 19.632 -32.899 1.00 0.00 C ATOM 1329 OE1 GLN A 92 12.329 20.138 -33.458 1.00 0.00 O ATOM 1330 NE2 GLN A 92 13.905 18.542 -33.358 1.00 0.00 N ATOM 0 H GLN A 92 14.635 16.564 -29.495 1.00 0.00 H new ATOM 0 HA GLN A 92 15.313 18.461 -30.505 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.586 18.861 -30.623 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.090 20.222 -29.642 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.566 21.281 -31.562 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.963 20.231 -31.692 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.709 18.157 -32.862 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.564 18.090 -34.206 1.00 0.00 H new ATOM 1339 N LYS A 93 15.488 18.629 -27.527 1.00 0.00 N ATOM 1340 CA LYS A 93 16.091 19.209 -26.333 1.00 0.00 C ATOM 1341 C LYS A 93 17.613 19.200 -26.432 1.00 0.00 C ATOM 1342 O LYS A 93 18.247 18.148 -26.338 1.00 0.00 O ATOM 1343 CB LYS A 93 15.637 18.446 -25.086 1.00 0.00 C ATOM 1344 CG LYS A 93 14.139 18.174 -25.039 1.00 0.00 C ATOM 1345 CD LYS A 93 13.357 19.154 -25.903 1.00 0.00 C ATOM 1346 CE LYS A 93 11.978 19.431 -25.328 1.00 0.00 C ATOM 1347 NZ LYS A 93 11.116 20.177 -26.285 1.00 0.00 N ATOM 0 H LYS A 93 15.341 17.621 -27.478 1.00 0.00 H new ATOM 0 HA LYS A 93 15.761 20.245 -26.254 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.170 17.496 -25.039 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.921 19.015 -24.201 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.944 17.156 -25.377 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.790 18.240 -24.008 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.911 20.089 -25.986 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.257 18.752 -26.911 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.498 18.488 -25.066 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.078 20.004 -24.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.123 20.112 -25.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.406 21.175 -26.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.215 19.765 -27.235 1.00 0.00 H new ATOM 1361 N TYR A 94 18.191 20.380 -26.624 1.00 0.00 N ATOM 1362 CA TYR A 94 19.638 20.517 -26.741 1.00 0.00 C ATOM 1363 C TYR A 94 20.152 21.666 -25.879 1.00 0.00 C ATOM 1364 O TYR A 94 19.384 22.527 -25.449 1.00 0.00 O ATOM 1365 CB TYR A 94 20.031 20.752 -28.201 1.00 0.00 C ATOM 1366 CG TYR A 94 19.778 22.166 -28.676 1.00 0.00 C ATOM 1367 CD1 TYR A 94 20.523 23.230 -28.181 1.00 0.00 C ATOM 1368 CD2 TYR A 94 18.794 22.439 -29.618 1.00 0.00 C ATOM 1369 CE1 TYR A 94 20.293 24.523 -28.610 1.00 0.00 C ATOM 1370 CE2 TYR A 94 18.559 23.730 -30.053 1.00 0.00 C ATOM 1371 CZ TYR A 94 19.312 24.767 -29.546 1.00 0.00 C ATOM 1372 OH TYR A 94 19.080 26.055 -29.975 1.00 0.00 O ATOM 0 H TYR A 94 17.678 21.258 -26.702 1.00 0.00 H new ATOM 0 HA TYR A 94 20.092 19.591 -26.389 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.089 20.519 -28.326 1.00 0.00 H new ATOM 0 HB3 TYR A 94 19.476 20.060 -28.834 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.295 23.043 -27.449 1.00 0.00 H new ATOM 0 HD2 TYR A 94 18.202 21.629 -30.017 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.879 25.339 -28.213 1.00 0.00 H new ATOM 0 HE2 TYR A 94 17.790 23.925 -30.786 1.00 0.00 H new ATOM 0 HH TYR A 94 18.357 26.054 -30.636 1.00 0.00 H new ATOM 1382 N SER A 95 21.459 21.675 -25.636 1.00 0.00 N ATOM 1383 CA SER A 95 22.082 22.719 -24.832 1.00 0.00 C ATOM 1384 C SER A 95 23.245 23.356 -25.586 1.00 0.00 C ATOM 1385 O SER A 95 23.425 23.119 -26.781 1.00 0.00 O ATOM 1386 CB SER A 95 22.570 22.144 -23.500 1.00 0.00 C ATOM 1387 OG SER A 95 22.496 20.728 -23.500 1.00 0.00 O ATOM 0 H SER A 95 22.108 20.969 -25.985 1.00 0.00 H new ATOM 0 HA SER A 95 21.336 23.488 -24.632 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.598 22.458 -23.319 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.967 22.543 -22.685 1.00 0.00 H new ATOM 0 HG SER A 95 23.377 20.354 -23.712 1.00 0.00 H new ATOM 1393 N PHE A 96 24.033 24.165 -24.885 1.00 0.00 N ATOM 1394 CA PHE A 96 25.177 24.834 -25.496 1.00 0.00 C ATOM 1395 C PHE A 96 26.482 24.396 -24.840 1.00 0.00 C ATOM 1396 O PHE A 96 26.490 23.514 -23.980 1.00 0.00 O ATOM 1397 CB PHE A 96 25.023 26.352 -25.388 1.00 0.00 C ATOM 1398 CG PHE A 96 24.187 26.947 -26.485 1.00 0.00 C ATOM 1399 CD1 PHE A 96 24.389 26.578 -27.805 1.00 0.00 C ATOM 1400 CD2 PHE A 96 23.200 27.874 -26.195 1.00 0.00 C ATOM 1401 CE1 PHE A 96 23.621 27.123 -28.816 1.00 0.00 C ATOM 1402 CE2 PHE A 96 22.428 28.423 -27.202 1.00 0.00 C ATOM 1403 CZ PHE A 96 22.640 28.047 -28.514 1.00 0.00 C ATOM 0 H PHE A 96 23.901 24.373 -23.895 1.00 0.00 H new ATOM 0 HA PHE A 96 25.210 24.552 -26.548 1.00 0.00 H new ATOM 0 HB2 PHE A 96 24.573 26.596 -24.426 1.00 0.00 H new ATOM 0 HB3 PHE A 96 26.011 26.812 -25.404 1.00 0.00 H new ATOM 0 HD1 PHE A 96 25.155 25.856 -28.046 1.00 0.00 H new ATOM 0 HD2 PHE A 96 23.031 28.171 -25.171 1.00 0.00 H new ATOM 0 HE1 PHE A 96 23.788 26.827 -29.841 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.661 29.144 -26.963 1.00 0.00 H new ATOM 0 HZ PHE A 96 22.039 28.475 -29.303 1.00 0.00 H new ATOM 1413 N CYS A 97 27.583 25.018 -25.249 1.00 0.00 N ATOM 1414 CA CYS A 97 28.894 24.693 -24.700 1.00 0.00 C ATOM 1415 C CYS A 97 29.856 25.863 -24.857 1.00 0.00 C ATOM 1416 O CYS A 97 30.513 26.008 -25.889 1.00 0.00 O ATOM 1417 CB CYS A 97 29.469 23.454 -25.389 1.00 0.00 C ATOM 1418 SG CYS A 97 29.915 22.109 -24.246 1.00 0.00 S ATOM 0 H CYS A 97 27.593 25.750 -25.959 1.00 0.00 H new ATOM 0 HA CYS A 97 28.770 24.486 -23.637 1.00 0.00 H new ATOM 0 HB2 CYS A 97 28.740 23.079 -26.107 1.00 0.00 H new ATOM 0 HB3 CYS A 97 30.354 23.744 -25.955 1.00 0.00 H new ATOM 1423 N THR A 98 29.937 26.695 -23.827 1.00 0.00 N ATOM 1424 CA THR A 98 30.819 27.854 -23.845 1.00 0.00 C ATOM 1425 C THR A 98 32.228 27.465 -24.271 1.00 0.00 C ATOM 1426 O THR A 98 32.776 28.018 -25.224 1.00 0.00 O ATOM 1427 CB THR A 98 30.881 28.536 -22.465 1.00 0.00 C ATOM 1428 OG1 THR A 98 32.147 29.184 -22.297 1.00 0.00 O ATOM 1429 CG2 THR A 98 30.672 27.522 -21.350 1.00 0.00 C ATOM 0 H THR A 98 29.401 26.588 -22.966 1.00 0.00 H new ATOM 0 HA THR A 98 30.404 28.555 -24.569 1.00 0.00 H new ATOM 0 HB THR A 98 30.084 29.277 -22.413 1.00 0.00 H new ATOM 0 HG1 THR A 98 32.179 29.617 -21.418 1.00 0.00 H new ATOM 0 HG21 THR A 98 30.720 28.027 -20.385 1.00 0.00 H new ATOM 0 HG22 THR A 98 29.696 27.051 -21.465 1.00 0.00 H new ATOM 0 HG23 THR A 98 31.450 26.761 -21.400 1.00 0.00 H new