USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=28 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 83 SER OG : rot -148:sc= -0.854! USER MOD Set 1.2: A 93 LYS NZ :NH3+ 175:sc= -2.03! (180deg=-2.78!) USER MOD Set 2.1: A 17 GLN : amide:sc= -0.18 X(o=-1.5,f=-1.4) USER MOD Set 2.2: A 30 THR OG1 : rot -21:sc= -1.32 USER MOD Set 3.1: A 3 HIS : no HD1:sc= -0.135 X(o=-0.14,f=0.0087) USER MOD Set 3.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 100:sc= -0.398! USER MOD Single : A 8 SER OG : rot -61:sc= 0.885 USER MOD Single : A 12 TYR OH : rot -69:sc= 1.76 USER MOD Single : A 16 MET CE :methyl -142:sc= -0.238 (180deg=-1.65!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -170:sc= -1.99! (180deg=-2.29!) USER MOD Single : A 34 ASN : amide:sc= -5.14! C(o=-5.1!,f=-13!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 46 THR OG1 : rot -69:sc= 0.613 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.95! C(o=-3!,f=-4.1!) USER MOD Single : A 51 SER OG : rot 106:sc= -1.98! USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.723 K(o=-0.72,f=-2.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 176:sc= 0.266 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00898 USER MOD Single : A 79 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.7) USER MOD Single : A 84 THR OG1 : rot 150:sc= -6.64! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.361 K(o=-0.36,f=-2.4!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.995 F(o=-2,f=-0.99) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 112:sc= 0.937 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00759 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 47.428 7.285 -40.840 1.00 0.00 N ATOM 32 CA HIS A 3 47.081 6.317 -39.808 1.00 0.00 C ATOM 33 C HIS A 3 47.357 6.881 -38.418 1.00 0.00 C ATOM 34 O HIS A 3 48.439 7.409 -38.156 1.00 0.00 O ATOM 35 CB HIS A 3 47.873 5.026 -40.014 1.00 0.00 C ATOM 36 CG HIS A 3 47.130 3.983 -40.790 1.00 0.00 C ATOM 37 ND1 HIS A 3 47.508 3.572 -42.051 1.00 0.00 N ATOM 38 CD2 HIS A 3 46.025 3.265 -40.478 1.00 0.00 C ATOM 39 CE1 HIS A 3 46.667 2.648 -42.481 1.00 0.00 C ATOM 40 NE2 HIS A 3 45.758 2.443 -41.545 1.00 0.00 N ATOM 0 HA HIS A 3 46.015 6.101 -39.886 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.803 5.259 -40.533 1.00 0.00 H new ATOM 0 HB3 HIS A 3 48.145 4.617 -39.041 1.00 0.00 H new ATOM 0 HD2 HIS A 3 45.459 3.327 -39.560 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.715 2.146 -43.436 1.00 0.00 H new ATOM 0 HE2 HIS A 3 44.984 1.782 -41.605 1.00 0.00 H new ATOM 49 N CYS A 4 46.375 6.768 -37.531 1.00 0.00 N ATOM 50 CA CYS A 4 46.519 7.271 -36.168 1.00 0.00 C ATOM 51 C CYS A 4 46.600 6.124 -35.165 1.00 0.00 C ATOM 52 O CYS A 4 46.126 5.019 -35.427 1.00 0.00 O ATOM 53 CB CYS A 4 45.351 8.191 -35.809 1.00 0.00 C ATOM 54 SG CYS A 4 43.858 7.931 -36.823 1.00 0.00 S ATOM 0 H CYS A 4 45.473 6.334 -37.729 1.00 0.00 H new ATOM 0 HA CYS A 4 47.448 7.839 -36.120 1.00 0.00 H new ATOM 0 HB2 CYS A 4 45.095 8.042 -34.760 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.673 9.227 -35.915 1.00 0.00 H new ATOM 59 N VAL A 5 47.203 6.401 -34.014 1.00 0.00 N ATOM 60 CA VAL A 5 47.350 5.402 -32.962 1.00 0.00 C ATOM 61 C VAL A 5 47.322 6.057 -31.585 1.00 0.00 C ATOM 62 O VAL A 5 47.379 7.280 -31.468 1.00 0.00 O ATOM 63 CB VAL A 5 48.663 4.606 -33.110 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.385 3.209 -33.640 1.00 0.00 C ATOM 65 CG2 VAL A 5 49.641 5.342 -34.014 1.00 0.00 C ATOM 0 H VAL A 5 47.599 7.313 -33.785 1.00 0.00 H new ATOM 0 HA VAL A 5 46.510 4.715 -33.060 1.00 0.00 H new ATOM 0 HB VAL A 5 49.119 4.512 -32.124 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.324 2.663 -33.737 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.729 2.681 -32.948 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.903 3.279 -34.615 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.560 4.763 -34.104 1.00 0.00 H new ATOM 0 HG22 VAL A 5 49.196 5.473 -35.001 1.00 0.00 H new ATOM 0 HG23 VAL A 5 49.868 6.318 -33.586 1.00 0.00 H new ATOM 75 N THR A 6 47.234 5.234 -30.545 1.00 0.00 N ATOM 76 CA THR A 6 47.199 5.735 -29.177 1.00 0.00 C ATOM 77 C THR A 6 48.531 5.503 -28.474 1.00 0.00 C ATOM 78 O THR A 6 49.236 6.451 -28.128 1.00 0.00 O ATOM 79 CB THR A 6 46.079 5.064 -28.361 1.00 0.00 C ATOM 80 OG1 THR A 6 46.499 3.765 -27.925 1.00 0.00 O ATOM 81 CG2 THR A 6 44.809 4.939 -29.188 1.00 0.00 C ATOM 0 H THR A 6 47.186 4.218 -30.624 1.00 0.00 H new ATOM 0 HA THR A 6 47.003 6.806 -29.237 1.00 0.00 H new ATOM 0 HB THR A 6 45.870 5.688 -27.492 1.00 0.00 H new ATOM 0 HG1 THR A 6 46.792 3.812 -26.991 1.00 0.00 H new ATOM 0 HG21 THR A 6 44.032 4.462 -28.591 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.475 5.930 -29.494 1.00 0.00 H new ATOM 0 HG23 THR A 6 45.009 4.335 -30.073 1.00 0.00 H new ATOM 89 N ASP A 7 48.869 4.236 -28.268 1.00 0.00 N ATOM 90 CA ASP A 7 50.118 3.875 -27.608 1.00 0.00 C ATOM 91 C ASP A 7 50.764 2.669 -28.283 1.00 0.00 C ATOM 92 O ASP A 7 51.984 2.610 -28.433 1.00 0.00 O ATOM 93 CB ASP A 7 49.868 3.576 -26.129 1.00 0.00 C ATOM 94 CG ASP A 7 50.568 4.562 -25.215 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.009 5.656 -24.982 1.00 0.00 O ATOM 96 OD2 ASP A 7 51.674 4.243 -24.731 1.00 0.00 O ATOM 0 H ASP A 7 48.295 3.441 -28.549 1.00 0.00 H new ATOM 0 HA ASP A 7 50.801 4.720 -27.690 1.00 0.00 H new ATOM 0 HB2 ASP A 7 48.796 3.600 -25.932 1.00 0.00 H new ATOM 0 HB3 ASP A 7 50.211 2.567 -25.902 1.00 0.00 H new ATOM 101 N SER A 8 49.936 1.712 -28.685 1.00 0.00 N ATOM 102 CA SER A 8 50.420 0.503 -29.345 1.00 0.00 C ATOM 103 C SER A 8 49.400 -0.626 -29.229 1.00 0.00 C ATOM 104 O SER A 8 49.762 -1.787 -29.043 1.00 0.00 O ATOM 105 CB SER A 8 51.755 0.068 -28.739 1.00 0.00 C ATOM 106 OG SER A 8 52.042 -1.286 -29.051 1.00 0.00 O ATOM 0 H SER A 8 48.924 1.749 -28.566 1.00 0.00 H new ATOM 0 HA SER A 8 50.565 0.727 -30.402 1.00 0.00 H new ATOM 0 HB2 SER A 8 52.554 0.708 -29.114 1.00 0.00 H new ATOM 0 HB3 SER A 8 51.726 0.196 -27.657 1.00 0.00 H new ATOM 0 HG SER A 8 51.341 -1.863 -28.681 1.00 0.00 H new ATOM 112 N GLY A 9 48.122 -0.275 -29.344 1.00 0.00 N ATOM 113 CA GLY A 9 47.067 -1.267 -29.254 1.00 0.00 C ATOM 114 C GLY A 9 46.022 -1.089 -30.337 1.00 0.00 C ATOM 115 O GLY A 9 45.502 -2.066 -30.875 1.00 0.00 O ATOM 0 H GLY A 9 47.799 0.680 -29.498 1.00 0.00 H new ATOM 0 HA2 GLY A 9 47.500 -2.264 -29.330 1.00 0.00 H new ATOM 0 HA3 GLY A 9 46.590 -1.200 -28.276 1.00 0.00 H new ATOM 119 N VAL A 10 45.720 0.164 -30.657 1.00 0.00 N ATOM 120 CA VAL A 10 44.737 0.478 -31.685 1.00 0.00 C ATOM 121 C VAL A 10 45.409 1.084 -32.912 1.00 0.00 C ATOM 122 O VAL A 10 46.525 1.597 -32.829 1.00 0.00 O ATOM 123 CB VAL A 10 43.669 1.458 -31.163 1.00 0.00 C ATOM 124 CG1 VAL A 10 42.331 1.204 -31.840 1.00 0.00 C ATOM 125 CG2 VAL A 10 43.541 1.350 -29.651 1.00 0.00 C ATOM 0 H VAL A 10 46.144 0.981 -30.217 1.00 0.00 H new ATOM 0 HA VAL A 10 44.253 -0.459 -31.960 1.00 0.00 H new ATOM 0 HB VAL A 10 43.983 2.473 -31.407 1.00 0.00 H new ATOM 0 HG11 VAL A 10 41.591 1.906 -31.457 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.437 1.339 -32.917 1.00 0.00 H new ATOM 0 HG13 VAL A 10 42.006 0.185 -31.632 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.782 2.049 -29.299 1.00 0.00 H new ATOM 0 HG22 VAL A 10 43.251 0.334 -29.382 1.00 0.00 H new ATOM 0 HG23 VAL A 10 44.498 1.589 -29.187 1.00 0.00 H new ATOM 135 N VAL A 11 44.724 1.023 -34.049 1.00 0.00 N ATOM 136 CA VAL A 11 45.258 1.569 -35.290 1.00 0.00 C ATOM 137 C VAL A 11 44.196 2.370 -36.036 1.00 0.00 C ATOM 138 O VAL A 11 43.613 1.894 -37.010 1.00 0.00 O ATOM 139 CB VAL A 11 45.790 0.457 -36.214 1.00 0.00 C ATOM 140 CG1 VAL A 11 46.122 1.018 -37.587 1.00 0.00 C ATOM 141 CG2 VAL A 11 47.008 -0.211 -35.594 1.00 0.00 C ATOM 0 H VAL A 11 43.799 0.601 -34.136 1.00 0.00 H new ATOM 0 HA VAL A 11 46.084 2.226 -35.017 1.00 0.00 H new ATOM 0 HB VAL A 11 45.011 -0.296 -36.334 1.00 0.00 H new ATOM 0 HG11 VAL A 11 46.496 0.218 -38.226 1.00 0.00 H new ATOM 0 HG12 VAL A 11 45.224 1.447 -38.031 1.00 0.00 H new ATOM 0 HG13 VAL A 11 46.884 1.791 -37.490 1.00 0.00 H new ATOM 0 HG21 VAL A 11 47.372 -0.994 -36.259 1.00 0.00 H new ATOM 0 HG22 VAL A 11 47.793 0.531 -35.444 1.00 0.00 H new ATOM 0 HG23 VAL A 11 46.734 -0.649 -34.634 1.00 0.00 H new ATOM 151 N TYR A 12 43.954 3.590 -35.571 1.00 0.00 N ATOM 152 CA TYR A 12 42.963 4.464 -36.189 1.00 0.00 C ATOM 153 C TYR A 12 43.460 4.986 -37.533 1.00 0.00 C ATOM 154 O TYR A 12 44.575 4.677 -37.956 1.00 0.00 O ATOM 155 CB TYR A 12 42.645 5.639 -35.262 1.00 0.00 C ATOM 156 CG TYR A 12 42.072 5.220 -33.929 1.00 0.00 C ATOM 157 CD1 TYR A 12 40.730 4.883 -33.801 1.00 0.00 C ATOM 158 CD2 TYR A 12 42.876 5.160 -32.800 1.00 0.00 C ATOM 159 CE1 TYR A 12 40.206 4.497 -32.582 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.361 4.775 -31.576 1.00 0.00 C ATOM 161 CZ TYR A 12 41.025 4.444 -31.473 1.00 0.00 C ATOM 162 OH TYR A 12 40.508 4.059 -30.257 1.00 0.00 O ATOM 0 H TYR A 12 44.431 3.997 -34.767 1.00 0.00 H new ATOM 0 HA TYR A 12 42.056 3.883 -36.358 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.556 6.214 -35.092 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.938 6.302 -35.760 1.00 0.00 H new ATOM 0 HD1 TYR A 12 40.087 4.923 -34.668 1.00 0.00 H new ATOM 0 HD2 TYR A 12 43.922 5.418 -32.879 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.161 4.238 -32.498 1.00 0.00 H new ATOM 0 HE2 TYR A 12 43.000 4.734 -30.706 1.00 0.00 H new ATOM 0 HH TYR A 12 39.892 4.748 -29.930 1.00 0.00 H new ATOM 172 N SER A 13 42.629 5.781 -38.197 1.00 0.00 N ATOM 173 CA SER A 13 42.986 6.350 -39.491 1.00 0.00 C ATOM 174 C SER A 13 42.658 7.837 -39.543 1.00 0.00 C ATOM 175 O SER A 13 41.648 8.281 -38.996 1.00 0.00 O ATOM 176 CB SER A 13 42.258 5.614 -40.616 1.00 0.00 C ATOM 177 OG SER A 13 43.039 4.540 -41.112 1.00 0.00 O ATOM 0 H SER A 13 41.703 6.046 -37.861 1.00 0.00 H new ATOM 0 HA SER A 13 44.061 6.230 -39.626 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.304 5.235 -40.249 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.035 6.309 -41.425 1.00 0.00 H new ATOM 0 HG SER A 13 42.551 4.084 -41.829 1.00 0.00 H new ATOM 183 N VAL A 14 43.527 8.600 -40.199 1.00 0.00 N ATOM 184 CA VAL A 14 43.347 10.042 -40.326 1.00 0.00 C ATOM 185 C VAL A 14 41.874 10.425 -40.402 1.00 0.00 C ATOM 186 O VAL A 14 41.301 10.520 -41.487 1.00 0.00 O ATOM 187 CB VAL A 14 44.068 10.587 -41.573 1.00 0.00 C ATOM 188 CG1 VAL A 14 43.697 9.771 -42.802 1.00 0.00 C ATOM 189 CG2 VAL A 14 43.737 12.057 -41.782 1.00 0.00 C ATOM 0 H VAL A 14 44.367 8.241 -40.653 1.00 0.00 H new ATOM 0 HA VAL A 14 43.782 10.486 -39.431 1.00 0.00 H new ATOM 0 HB VAL A 14 45.143 10.499 -41.416 1.00 0.00 H new ATOM 0 HG11 VAL A 14 44.215 10.170 -43.674 1.00 0.00 H new ATOM 0 HG12 VAL A 14 43.989 8.732 -42.650 1.00 0.00 H new ATOM 0 HG13 VAL A 14 42.620 9.826 -42.964 1.00 0.00 H new ATOM 0 HG21 VAL A 14 44.256 12.424 -42.668 1.00 0.00 H new ATOM 0 HG22 VAL A 14 42.662 12.172 -41.917 1.00 0.00 H new ATOM 0 HG23 VAL A 14 44.056 12.629 -40.911 1.00 0.00 H new ATOM 199 N GLY A 15 41.270 10.656 -39.241 1.00 0.00 N ATOM 200 CA GLY A 15 39.872 11.039 -39.194 1.00 0.00 C ATOM 201 C GLY A 15 38.945 9.877 -38.904 1.00 0.00 C ATOM 202 O GLY A 15 37.935 9.696 -39.583 1.00 0.00 O ATOM 0 H GLY A 15 41.725 10.585 -38.331 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.737 11.803 -38.429 1.00 0.00 H new ATOM 0 HA3 GLY A 15 39.593 11.489 -40.147 1.00 0.00 H new ATOM 206 N MET A 16 39.282 9.093 -37.888 1.00 0.00 N ATOM 207 CA MET A 16 38.464 7.948 -37.506 1.00 0.00 C ATOM 208 C MET A 16 37.643 8.273 -36.262 1.00 0.00 C ATOM 209 O MET A 16 36.551 7.738 -36.067 1.00 0.00 O ATOM 210 CB MET A 16 39.342 6.722 -37.254 1.00 0.00 C ATOM 211 CG MET A 16 38.554 5.431 -37.111 1.00 0.00 C ATOM 212 SD MET A 16 38.940 4.235 -38.405 1.00 0.00 S ATOM 213 CE MET A 16 39.520 2.852 -37.426 1.00 0.00 C ATOM 0 H MET A 16 40.114 9.228 -37.314 1.00 0.00 H new ATOM 0 HA MET A 16 37.782 7.724 -38.326 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.050 6.617 -38.076 1.00 0.00 H new ATOM 0 HB3 MET A 16 39.927 6.884 -36.348 1.00 0.00 H new ATOM 0 HG2 MET A 16 38.764 4.988 -36.138 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.488 5.656 -37.136 1.00 0.00 H new ATOM 0 HE1 MET A 16 40.354 2.370 -37.936 1.00 0.00 H new ATOM 0 HE2 MET A 16 39.849 3.209 -36.450 1.00 0.00 H new ATOM 0 HE3 MET A 16 38.711 2.134 -37.295 1.00 0.00 H new ATOM 223 N GLN A 17 38.177 9.160 -35.429 1.00 0.00 N ATOM 224 CA GLN A 17 37.500 9.571 -34.205 1.00 0.00 C ATOM 225 C GLN A 17 37.193 8.376 -33.309 1.00 0.00 C ATOM 226 O GLN A 17 36.774 7.319 -33.783 1.00 0.00 O ATOM 227 CB GLN A 17 36.205 10.313 -34.541 1.00 0.00 C ATOM 228 CG GLN A 17 36.256 11.800 -34.229 1.00 0.00 C ATOM 229 CD GLN A 17 34.992 12.297 -33.552 1.00 0.00 C ATOM 230 OE1 GLN A 17 35.047 13.100 -32.621 1.00 0.00 O ATOM 231 NE2 GLN A 17 33.845 11.819 -34.019 1.00 0.00 N ATOM 0 H GLN A 17 39.080 9.609 -35.580 1.00 0.00 H new ATOM 0 HA GLN A 17 38.170 10.238 -33.663 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.984 10.180 -35.600 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.383 9.862 -33.985 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.112 12.004 -33.586 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.412 12.356 -35.153 1.00 0.00 H new ATOM 0 HE21 GLN A 17 33.847 11.155 -34.793 1.00 0.00 H new ATOM 0 HE22 GLN A 17 32.962 12.116 -33.604 1.00 0.00 H new ATOM 240 N TRP A 18 37.396 8.559 -32.008 1.00 0.00 N ATOM 241 CA TRP A 18 37.134 7.508 -31.034 1.00 0.00 C ATOM 242 C TRP A 18 37.097 8.085 -29.622 1.00 0.00 C ATOM 243 O TRP A 18 37.178 9.299 -29.438 1.00 0.00 O ATOM 244 CB TRP A 18 38.188 6.402 -31.135 1.00 0.00 C ATOM 245 CG TRP A 18 39.538 6.804 -30.624 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.966 6.771 -29.329 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.639 7.290 -31.400 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.265 7.207 -29.251 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.702 7.533 -30.509 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.831 7.543 -32.761 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.935 8.018 -30.937 1.00 0.00 C ATOM 252 CZ3 TRP A 18 42.055 8.023 -33.183 1.00 0.00 C ATOM 253 CH2 TRP A 18 43.094 8.256 -32.275 1.00 0.00 C ATOM 0 H TRP A 18 37.742 9.429 -31.604 1.00 0.00 H new ATOM 0 HA TRP A 18 36.159 7.072 -31.254 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.843 5.532 -30.576 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.281 6.096 -32.177 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.370 6.449 -28.488 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.816 7.277 -28.396 1.00 0.00 H new ATOM 0 HE3 TRP A 18 40.036 7.366 -33.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.738 8.200 -30.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.213 8.222 -34.233 1.00 0.00 H new ATOM 0 HH2 TRP A 18 44.040 8.631 -32.637 1.00 0.00 H new ATOM 264 N LEU A 19 36.962 7.215 -28.628 1.00 0.00 N ATOM 265 CA LEU A 19 36.901 7.657 -27.239 1.00 0.00 C ATOM 266 C LEU A 19 37.679 6.718 -26.324 1.00 0.00 C ATOM 267 O LEU A 19 37.694 5.505 -26.527 1.00 0.00 O ATOM 268 CB LEU A 19 35.442 7.745 -26.787 1.00 0.00 C ATOM 269 CG LEU A 19 35.222 8.318 -25.385 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.857 9.792 -25.464 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.134 7.545 -24.659 1.00 0.00 C ATOM 0 H LEU A 19 36.893 6.205 -28.756 1.00 0.00 H new ATOM 0 HA LEU A 19 37.361 8.643 -27.174 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.894 8.359 -27.502 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.007 6.746 -26.825 1.00 0.00 H new ATOM 0 HG LEU A 19 36.151 8.219 -24.824 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.704 10.183 -24.458 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.664 10.341 -25.948 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.940 9.909 -26.042 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.991 7.966 -23.664 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.202 7.615 -25.220 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.427 6.499 -24.572 1.00 0.00 H new ATOM 283 N LYS A 20 38.327 7.293 -25.315 1.00 0.00 N ATOM 284 CA LYS A 20 39.113 6.512 -24.366 1.00 0.00 C ATOM 285 C LYS A 20 38.664 6.779 -22.931 1.00 0.00 C ATOM 286 O LYS A 20 37.949 7.745 -22.662 1.00 0.00 O ATOM 287 CB LYS A 20 40.598 6.842 -24.516 1.00 0.00 C ATOM 288 CG LYS A 20 41.506 5.626 -24.422 1.00 0.00 C ATOM 289 CD LYS A 20 42.953 6.030 -24.188 1.00 0.00 C ATOM 290 CE LYS A 20 43.174 6.507 -22.761 1.00 0.00 C ATOM 291 NZ LYS A 20 44.072 5.593 -22.002 1.00 0.00 N ATOM 0 H LYS A 20 38.323 8.297 -25.134 1.00 0.00 H new ATOM 0 HA LYS A 20 38.955 5.456 -24.584 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.757 7.330 -25.477 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.882 7.557 -23.744 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.171 4.982 -23.609 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.433 5.044 -25.341 1.00 0.00 H new ATOM 0 HD2 LYS A 20 43.607 5.183 -24.395 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.228 6.822 -24.884 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.604 7.509 -22.776 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.214 6.580 -22.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.197 5.954 -21.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.650 4.643 -21.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.997 5.543 -22.475 1.00 0.00 H new ATOM 379 N GLN A 26 36.223 9.926 -18.086 1.00 0.00 N ATOM 380 CA GLN A 26 35.921 9.778 -19.505 1.00 0.00 C ATOM 381 C GLN A 26 36.714 10.780 -20.339 1.00 0.00 C ATOM 382 O GLN A 26 37.055 11.865 -19.866 1.00 0.00 O ATOM 383 CB GLN A 26 34.423 9.966 -19.750 1.00 0.00 C ATOM 384 CG GLN A 26 33.569 8.844 -19.183 1.00 0.00 C ATOM 385 CD GLN A 26 32.084 9.131 -19.288 1.00 0.00 C ATOM 386 OE1 GLN A 26 31.422 9.415 -18.289 1.00 0.00 O ATOM 387 NE2 GLN A 26 31.551 9.057 -20.502 1.00 0.00 N ATOM 0 HA GLN A 26 36.209 8.772 -19.809 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.107 10.911 -19.308 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.245 10.040 -20.823 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.795 7.918 -19.712 1.00 0.00 H new ATOM 0 HG3 GLN A 26 33.832 8.686 -18.137 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.137 8.818 -21.302 1.00 0.00 H new ATOM 0 HE22 GLN A 26 30.556 9.239 -20.634 1.00 0.00 H new ATOM 396 N MET A 27 37.005 10.409 -21.582 1.00 0.00 N ATOM 397 CA MET A 27 37.758 11.275 -22.483 1.00 0.00 C ATOM 398 C MET A 27 37.636 10.791 -23.926 1.00 0.00 C ATOM 399 O MET A 27 37.624 9.588 -24.186 1.00 0.00 O ATOM 400 CB MET A 27 39.228 11.323 -22.064 1.00 0.00 C ATOM 401 CG MET A 27 40.134 11.970 -23.096 1.00 0.00 C ATOM 402 SD MET A 27 40.671 10.808 -24.365 1.00 0.00 S ATOM 403 CE MET A 27 41.827 9.804 -23.436 1.00 0.00 C ATOM 0 H MET A 27 36.731 9.515 -21.988 1.00 0.00 H new ATOM 0 HA MET A 27 37.340 12.280 -22.422 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.312 11.871 -21.125 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.576 10.308 -21.873 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.608 12.801 -23.567 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.008 12.388 -22.597 1.00 0.00 H new ATOM 0 HE1 MET A 27 42.376 9.155 -24.119 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.528 10.451 -22.908 1.00 0.00 H new ATOM 0 HE3 MET A 27 41.282 9.194 -22.716 1.00 0.00 H new ATOM 413 N LEU A 28 37.538 11.735 -24.860 1.00 0.00 N ATOM 414 CA LEU A 28 37.406 11.400 -26.277 1.00 0.00 C ATOM 415 C LEU A 28 38.696 11.694 -27.037 1.00 0.00 C ATOM 416 O LEU A 28 39.230 12.800 -26.963 1.00 0.00 O ATOM 417 CB LEU A 28 36.256 12.189 -26.905 1.00 0.00 C ATOM 418 CG LEU A 28 36.158 12.076 -28.427 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.936 11.266 -28.826 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.116 13.459 -29.061 1.00 0.00 C ATOM 0 H LEU A 28 37.547 12.736 -24.662 1.00 0.00 H new ATOM 0 HA LEU A 28 37.197 10.333 -26.346 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.318 11.847 -26.468 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.367 13.240 -26.639 1.00 0.00 H new ATOM 0 HG LEU A 28 37.044 11.557 -28.792 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.884 11.197 -29.913 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.009 10.265 -28.402 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.037 11.755 -28.450 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.046 13.361 -30.144 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.248 14.003 -28.689 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.024 14.005 -28.804 1.00 0.00 H new ATOM 432 N CYS A 29 39.187 10.699 -27.771 1.00 0.00 N ATOM 433 CA CYS A 29 40.413 10.852 -28.547 1.00 0.00 C ATOM 434 C CYS A 29 40.108 10.883 -30.045 1.00 0.00 C ATOM 435 O CYS A 29 39.260 10.133 -30.529 1.00 0.00 O ATOM 436 CB CYS A 29 41.378 9.707 -28.235 1.00 0.00 C ATOM 437 SG CYS A 29 42.606 10.083 -26.940 1.00 0.00 S ATOM 0 H CYS A 29 38.754 9.778 -27.844 1.00 0.00 H new ATOM 0 HA CYS A 29 40.877 11.798 -28.270 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.800 8.835 -27.928 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.905 9.434 -29.149 1.00 0.00 H new ATOM 442 N THR A 30 40.803 11.753 -30.776 1.00 0.00 N ATOM 443 CA THR A 30 40.602 11.873 -32.218 1.00 0.00 C ATOM 444 C THR A 30 41.911 12.151 -32.941 1.00 0.00 C ATOM 445 O THR A 30 42.818 12.774 -32.387 1.00 0.00 O ATOM 446 CB THR A 30 39.615 13.002 -32.568 1.00 0.00 C ATOM 447 OG1 THR A 30 38.342 12.754 -31.958 1.00 0.00 O ATOM 448 CG2 THR A 30 39.448 13.120 -34.077 1.00 0.00 C ATOM 0 H THR A 30 41.508 12.383 -30.394 1.00 0.00 H new ATOM 0 HA THR A 30 40.192 10.917 -32.544 1.00 0.00 H new ATOM 0 HB THR A 30 40.019 13.939 -32.186 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.262 11.801 -31.745 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.747 13.923 -34.304 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.413 13.341 -34.534 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.065 12.181 -34.475 1.00 0.00 H new ATOM 456 N CYS A 31 41.998 11.705 -34.189 1.00 0.00 N ATOM 457 CA CYS A 31 43.188 11.926 -34.991 1.00 0.00 C ATOM 458 C CYS A 31 42.858 12.789 -36.201 1.00 0.00 C ATOM 459 O CYS A 31 42.185 12.347 -37.132 1.00 0.00 O ATOM 460 CB CYS A 31 43.805 10.599 -35.428 1.00 0.00 C ATOM 461 SG CYS A 31 42.675 9.505 -36.340 1.00 0.00 S ATOM 0 H CYS A 31 41.257 11.189 -34.664 1.00 0.00 H new ATOM 0 HA CYS A 31 43.920 12.452 -34.379 1.00 0.00 H new ATOM 0 HB2 CYS A 31 44.674 10.805 -36.053 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.166 10.072 -34.545 1.00 0.00 H new ATOM 466 N LEU A 32 43.329 14.029 -36.167 1.00 0.00 N ATOM 467 CA LEU A 32 43.082 14.978 -37.248 1.00 0.00 C ATOM 468 C LEU A 32 44.017 14.723 -38.426 1.00 0.00 C ATOM 469 O LEU A 32 43.727 13.895 -39.289 1.00 0.00 O ATOM 470 CB LEU A 32 43.253 16.418 -36.747 1.00 0.00 C ATOM 471 CG LEU A 32 44.181 16.581 -35.540 1.00 0.00 C ATOM 472 CD1 LEU A 32 44.916 17.910 -35.601 1.00 0.00 C ATOM 473 CD2 LEU A 32 43.392 16.460 -34.244 1.00 0.00 C ATOM 0 H LEU A 32 43.887 14.403 -35.399 1.00 0.00 H new ATOM 0 HA LEU A 32 42.055 14.839 -37.587 1.00 0.00 H new ATOM 0 HB2 LEU A 32 43.637 17.028 -37.565 1.00 0.00 H new ATOM 0 HB3 LEU A 32 42.272 16.815 -36.487 1.00 0.00 H new ATOM 0 HG LEU A 32 44.923 15.783 -35.567 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.570 18.004 -34.734 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.513 17.954 -36.512 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.193 18.726 -35.601 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.066 16.578 -33.395 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.627 17.235 -34.210 1.00 0.00 H new ATOM 0 HD23 LEU A 32 42.918 15.480 -34.197 1.00 0.00 H new ATOM 485 N GLY A 33 45.140 15.435 -38.459 1.00 0.00 N ATOM 486 CA GLY A 33 46.093 15.264 -39.538 1.00 0.00 C ATOM 487 C GLY A 33 47.527 15.354 -39.061 1.00 0.00 C ATOM 488 O GLY A 33 48.359 14.515 -39.405 1.00 0.00 O ATOM 0 H GLY A 33 45.406 16.126 -37.758 1.00 0.00 H new ATOM 0 HA2 GLY A 33 45.931 14.296 -40.012 1.00 0.00 H new ATOM 0 HA3 GLY A 33 45.917 16.025 -40.298 1.00 0.00 H new ATOM 492 N ASN A 34 47.812 16.374 -38.262 1.00 0.00 N ATOM 493 CA ASN A 34 49.154 16.573 -37.728 1.00 0.00 C ATOM 494 C ASN A 34 49.385 15.681 -36.515 1.00 0.00 C ATOM 495 O ASN A 34 50.525 15.406 -36.139 1.00 0.00 O ATOM 496 CB ASN A 34 49.363 18.040 -37.350 1.00 0.00 C ATOM 497 CG ASN A 34 48.308 18.544 -36.384 1.00 0.00 C ATOM 498 OD1 ASN A 34 47.129 18.637 -36.727 1.00 0.00 O ATOM 499 ND2 ASN A 34 48.729 18.873 -35.169 1.00 0.00 N ATOM 0 H ASN A 34 47.133 17.076 -37.969 1.00 0.00 H new ATOM 0 HA ASN A 34 49.875 16.303 -38.500 1.00 0.00 H new ATOM 0 HB2 ASN A 34 50.349 18.160 -36.902 1.00 0.00 H new ATOM 0 HB3 ASN A 34 49.347 18.651 -38.253 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.066 19.219 -34.476 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.716 18.780 -34.929 1.00 0.00 H new ATOM 506 N GLY A 35 48.292 15.230 -35.905 1.00 0.00 N ATOM 507 CA GLY A 35 48.391 14.371 -34.741 1.00 0.00 C ATOM 508 C GLY A 35 47.034 13.916 -34.240 1.00 0.00 C ATOM 509 O GLY A 35 46.057 13.915 -34.989 1.00 0.00 O ATOM 0 H GLY A 35 47.339 15.445 -36.198 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.995 13.498 -34.988 1.00 0.00 H new ATOM 0 HA3 GLY A 35 48.910 14.903 -33.944 1.00 0.00 H new ATOM 513 N VAL A 36 46.973 13.531 -32.968 1.00 0.00 N ATOM 514 CA VAL A 36 45.726 13.076 -32.366 1.00 0.00 C ATOM 515 C VAL A 36 45.388 13.898 -31.128 1.00 0.00 C ATOM 516 O VAL A 36 46.149 13.925 -30.160 1.00 0.00 O ATOM 517 CB VAL A 36 45.789 11.580 -31.990 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.544 11.161 -31.221 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.962 10.724 -33.235 1.00 0.00 C ATOM 0 H VAL A 36 47.773 13.526 -32.335 1.00 0.00 H new ATOM 0 HA VAL A 36 44.943 13.212 -33.112 1.00 0.00 H new ATOM 0 HB VAL A 36 46.653 11.428 -31.344 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.612 10.103 -30.967 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.466 11.749 -30.307 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.661 11.330 -31.838 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.004 9.673 -32.951 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.119 10.884 -33.907 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.887 11.001 -33.741 1.00 0.00 H new ATOM 529 N SER A 37 44.243 14.570 -31.168 1.00 0.00 N ATOM 530 CA SER A 37 43.801 15.398 -30.053 1.00 0.00 C ATOM 531 C SER A 37 42.589 14.783 -29.365 1.00 0.00 C ATOM 532 O SER A 37 41.659 14.316 -30.024 1.00 0.00 O ATOM 533 CB SER A 37 43.463 16.808 -30.541 1.00 0.00 C ATOM 534 OG SER A 37 42.694 17.510 -29.580 1.00 0.00 O ATOM 0 H SER A 37 43.603 14.557 -31.962 1.00 0.00 H new ATOM 0 HA SER A 37 44.615 15.455 -29.331 1.00 0.00 H new ATOM 0 HB2 SER A 37 44.383 17.356 -30.745 1.00 0.00 H new ATOM 0 HB3 SER A 37 42.912 16.749 -31.480 1.00 0.00 H new ATOM 0 HG SER A 37 42.493 18.409 -29.915 1.00 0.00 H new ATOM 540 N CYS A 38 42.605 14.785 -28.039 1.00 0.00 N ATOM 541 CA CYS A 38 41.507 14.227 -27.263 1.00 0.00 C ATOM 542 C CYS A 38 40.925 15.267 -26.313 1.00 0.00 C ATOM 543 O CYS A 38 41.437 16.382 -26.206 1.00 0.00 O ATOM 544 CB CYS A 38 41.981 13.008 -26.474 1.00 0.00 C ATOM 545 SG CYS A 38 43.198 11.979 -27.355 1.00 0.00 S ATOM 0 H CYS A 38 43.367 15.167 -27.478 1.00 0.00 H new ATOM 0 HA CYS A 38 40.725 13.921 -27.958 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.418 13.345 -25.534 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.117 12.394 -26.221 1.00 0.00 H new ATOM 550 N GLN A 39 39.854 14.893 -25.623 1.00 0.00 N ATOM 551 CA GLN A 39 39.202 15.789 -24.678 1.00 0.00 C ATOM 552 C GLN A 39 39.026 15.112 -23.325 1.00 0.00 C ATOM 553 O GLN A 39 38.066 14.370 -23.110 1.00 0.00 O ATOM 554 CB GLN A 39 37.842 16.235 -25.222 1.00 0.00 C ATOM 555 CG GLN A 39 37.828 16.451 -26.727 1.00 0.00 C ATOM 556 CD GLN A 39 37.739 17.916 -27.104 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.712 18.511 -27.566 1.00 0.00 O ATOM 558 NE2 GLN A 39 36.565 18.508 -26.907 1.00 0.00 N ATOM 0 H GLN A 39 39.419 13.974 -25.701 1.00 0.00 H new ATOM 0 HA GLN A 39 39.836 16.666 -24.546 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.094 15.486 -24.964 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.549 17.161 -24.728 1.00 0.00 H new ATOM 0 HG2 GLN A 39 38.732 16.022 -27.160 1.00 0.00 H new ATOM 0 HG3 GLN A 39 36.982 15.916 -27.159 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.784 17.977 -26.522 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.445 19.493 -27.141 1.00 0.00 H new ATOM 636 N GLN A 45 28.282 21.730 -20.250 1.00 0.00 N ATOM 637 CA GLN A 45 27.715 22.670 -19.290 1.00 0.00 C ATOM 638 C GLN A 45 26.248 22.948 -19.606 1.00 0.00 C ATOM 639 O GLN A 45 25.385 22.857 -18.734 1.00 0.00 O ATOM 640 CB GLN A 45 28.510 23.977 -19.295 1.00 0.00 C ATOM 641 CG GLN A 45 30.016 23.772 -19.293 1.00 0.00 C ATOM 642 CD GLN A 45 30.634 24.003 -17.928 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.689 24.624 -17.808 1.00 0.00 O ATOM 644 NE2 GLN A 45 29.978 23.498 -16.889 1.00 0.00 N ATOM 0 HA GLN A 45 27.775 22.222 -18.298 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.232 24.559 -20.174 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.231 24.566 -18.422 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.241 22.758 -19.623 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.472 24.450 -20.014 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.106 22.990 -17.035 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.346 23.619 -15.946 1.00 0.00 H new ATOM 653 N THR A 46 25.974 23.284 -20.862 1.00 0.00 N ATOM 654 CA THR A 46 24.613 23.570 -21.301 1.00 0.00 C ATOM 655 C THR A 46 24.070 24.837 -20.649 1.00 0.00 C ATOM 656 O THR A 46 24.615 25.324 -19.660 1.00 0.00 O ATOM 657 CB THR A 46 23.662 22.399 -20.986 1.00 0.00 C ATOM 658 OG1 THR A 46 23.159 22.521 -19.651 1.00 0.00 O ATOM 659 CG2 THR A 46 24.376 21.065 -21.144 1.00 0.00 C ATOM 0 H THR A 46 26.678 23.365 -21.595 1.00 0.00 H new ATOM 0 HA THR A 46 24.659 23.715 -22.380 1.00 0.00 H new ATOM 0 HB THR A 46 22.832 22.435 -21.691 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.886 22.369 -19.012 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.685 20.253 -20.916 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.732 20.962 -22.169 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.223 21.023 -20.460 1.00 0.00 H new ATOM 667 N TYR A 47 22.988 25.364 -21.216 1.00 0.00 N ATOM 668 CA TYR A 47 22.366 26.575 -20.695 1.00 0.00 C ATOM 669 C TYR A 47 21.100 26.934 -21.472 1.00 0.00 C ATOM 670 O TYR A 47 21.149 27.247 -22.661 1.00 0.00 O ATOM 671 CB TYR A 47 23.352 27.746 -20.732 1.00 0.00 C ATOM 672 CG TYR A 47 23.948 28.030 -22.100 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.652 27.237 -23.205 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.814 29.102 -22.281 1.00 0.00 C ATOM 675 CE1 TYR A 47 24.201 27.505 -24.445 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.366 29.376 -23.519 1.00 0.00 C ATOM 677 CZ TYR A 47 25.057 28.575 -24.596 1.00 0.00 C ATOM 678 OH TYR A 47 25.604 28.844 -25.829 1.00 0.00 O ATOM 0 H TYR A 47 22.525 24.971 -22.036 1.00 0.00 H new ATOM 0 HA TYR A 47 22.084 26.379 -19.660 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.843 28.643 -20.379 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.163 27.543 -20.032 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.982 26.398 -23.092 1.00 0.00 H new ATOM 0 HD2 TYR A 47 25.060 29.732 -21.439 1.00 0.00 H new ATOM 0 HE1 TYR A 47 23.960 26.879 -25.292 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.036 30.214 -23.641 1.00 0.00 H new ATOM 0 HH TYR A 47 26.184 29.631 -25.765 1.00 0.00 H new ATOM 688 N GLY A 48 19.963 26.895 -20.785 1.00 0.00 N ATOM 689 CA GLY A 48 18.701 27.224 -21.420 1.00 0.00 C ATOM 690 C GLY A 48 18.189 26.115 -22.317 1.00 0.00 C ATOM 691 O GLY A 48 17.787 25.055 -21.838 1.00 0.00 O ATOM 0 H GLY A 48 19.893 26.641 -19.800 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.957 27.436 -20.652 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.821 28.134 -22.008 1.00 0.00 H new ATOM 695 N GLY A 49 18.197 26.361 -23.624 1.00 0.00 N ATOM 696 CA GLY A 49 17.723 25.367 -24.568 1.00 0.00 C ATOM 697 C GLY A 49 16.232 25.122 -24.441 1.00 0.00 C ATOM 698 O GLY A 49 15.523 25.905 -23.810 1.00 0.00 O ATOM 0 H GLY A 49 18.523 27.231 -24.045 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.951 25.694 -25.583 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.258 24.431 -24.407 1.00 0.00 H new ATOM 702 N ASN A 50 15.756 24.033 -25.034 1.00 0.00 N ATOM 703 CA ASN A 50 14.340 23.692 -24.975 1.00 0.00 C ATOM 704 C ASN A 50 14.004 23.037 -23.640 1.00 0.00 C ATOM 705 O ASN A 50 12.835 22.907 -23.276 1.00 0.00 O ATOM 706 CB ASN A 50 13.963 22.758 -26.127 1.00 0.00 C ATOM 707 CG ASN A 50 14.522 21.362 -25.946 1.00 0.00 C ATOM 708 OD1 ASN A 50 15.621 21.184 -25.420 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.768 20.360 -26.384 1.00 0.00 N ATOM 0 H ASN A 50 16.329 23.373 -25.560 1.00 0.00 H new ATOM 0 HA ASN A 50 13.764 24.612 -25.069 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.877 22.704 -26.207 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.331 23.175 -27.064 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.094 19.398 -26.290 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.863 20.553 -26.814 1.00 0.00 H new ATOM 716 N SER A 51 15.039 22.630 -22.913 1.00 0.00 N ATOM 717 CA SER A 51 14.860 21.992 -21.616 1.00 0.00 C ATOM 718 C SER A 51 15.135 22.978 -20.486 1.00 0.00 C ATOM 719 O SER A 51 14.212 23.583 -19.938 1.00 0.00 O ATOM 720 CB SER A 51 15.786 20.782 -21.485 1.00 0.00 C ATOM 721 OG SER A 51 15.819 20.309 -20.151 1.00 0.00 O ATOM 0 H SER A 51 16.012 22.731 -23.202 1.00 0.00 H new ATOM 0 HA SER A 51 13.825 21.658 -21.543 1.00 0.00 H new ATOM 0 HB2 SER A 51 15.446 19.986 -22.148 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.792 21.054 -21.803 1.00 0.00 H new ATOM 0 HG SER A 51 15.306 19.476 -20.086 1.00 0.00 H new ATOM 727 N ASN A 52 16.410 23.135 -20.146 1.00 0.00 N ATOM 728 CA ASN A 52 16.817 24.047 -19.083 1.00 0.00 C ATOM 729 C ASN A 52 18.319 23.951 -18.837 1.00 0.00 C ATOM 730 O ASN A 52 18.968 24.939 -18.493 1.00 0.00 O ATOM 731 CB ASN A 52 16.060 23.735 -17.789 1.00 0.00 C ATOM 732 CG ASN A 52 16.009 24.922 -16.848 1.00 0.00 C ATOM 733 OD1 ASN A 52 15.113 25.762 -16.938 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.973 24.998 -15.939 1.00 0.00 N ATOM 0 H ASN A 52 17.182 22.640 -20.593 1.00 0.00 H new ATOM 0 HA ASN A 52 16.576 25.062 -19.399 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.044 23.424 -18.032 1.00 0.00 H new ATOM 0 HB3 ASN A 52 16.539 22.896 -17.285 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.991 25.775 -15.279 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.696 24.279 -15.901 1.00 0.00 H new ATOM 741 N GLY A 53 18.864 22.752 -19.013 1.00 0.00 N ATOM 742 CA GLY A 53 20.285 22.542 -18.806 1.00 0.00 C ATOM 743 C GLY A 53 20.590 21.157 -18.271 1.00 0.00 C ATOM 744 O GLY A 53 21.460 20.990 -17.416 1.00 0.00 O ATOM 0 H GLY A 53 18.346 21.920 -19.296 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.813 22.689 -19.748 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.663 23.290 -18.109 1.00 0.00 H new ATOM 748 N GLU A 54 19.869 20.160 -18.775 1.00 0.00 N ATOM 749 CA GLU A 54 20.061 18.781 -18.342 1.00 0.00 C ATOM 750 C GLU A 54 21.437 18.264 -18.749 1.00 0.00 C ATOM 751 O GLU A 54 22.031 18.739 -19.716 1.00 0.00 O ATOM 752 CB GLU A 54 18.973 17.882 -18.935 1.00 0.00 C ATOM 753 CG GLU A 54 17.558 18.313 -18.580 1.00 0.00 C ATOM 754 CD GLU A 54 17.493 19.156 -17.321 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.630 20.393 -17.427 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.308 18.579 -16.228 1.00 0.00 O ATOM 0 H GLU A 54 19.146 20.282 -19.484 1.00 0.00 H new ATOM 0 HA GLU A 54 19.993 18.759 -17.254 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.077 17.869 -20.020 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.130 16.861 -18.587 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.137 18.879 -19.411 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.936 17.427 -18.450 1.00 0.00 H new ATOM 763 N PRO A 55 21.954 17.273 -18.010 1.00 0.00 N ATOM 764 CA PRO A 55 23.262 16.675 -18.289 1.00 0.00 C ATOM 765 C PRO A 55 23.254 15.856 -19.575 1.00 0.00 C ATOM 766 O PRO A 55 22.713 14.751 -19.615 1.00 0.00 O ATOM 767 CB PRO A 55 23.505 15.769 -17.079 1.00 0.00 C ATOM 768 CG PRO A 55 22.144 15.442 -16.570 1.00 0.00 C ATOM 769 CD PRO A 55 21.296 16.654 -16.847 1.00 0.00 C ATOM 0 HA PRO A 55 24.036 17.429 -18.433 1.00 0.00 H new ATOM 0 HB2 PRO A 55 24.049 14.868 -17.362 1.00 0.00 H new ATOM 0 HB3 PRO A 55 24.101 16.275 -16.319 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.741 14.561 -17.070 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.169 15.219 -15.503 1.00 0.00 H new ATOM 0 HD2 PRO A 55 20.264 16.380 -17.068 1.00 0.00 H new ATOM 0 HD3 PRO A 55 21.271 17.330 -15.993 1.00 0.00 H new ATOM 777 N CYS A 56 23.852 16.407 -20.626 1.00 0.00 N ATOM 778 CA CYS A 56 23.907 15.728 -21.917 1.00 0.00 C ATOM 779 C CYS A 56 24.081 14.223 -21.737 1.00 0.00 C ATOM 780 O CYS A 56 24.653 13.768 -20.747 1.00 0.00 O ATOM 781 CB CYS A 56 25.049 16.287 -22.765 1.00 0.00 C ATOM 782 SG CYS A 56 24.882 18.058 -23.159 1.00 0.00 S ATOM 0 H CYS A 56 24.305 17.321 -20.610 1.00 0.00 H new ATOM 0 HA CYS A 56 22.962 15.906 -22.430 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.990 16.130 -22.238 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.107 15.722 -23.695 1.00 0.00 H new ATOM 787 N VAL A 57 23.580 13.458 -22.701 1.00 0.00 N ATOM 788 CA VAL A 57 23.676 12.004 -22.649 1.00 0.00 C ATOM 789 C VAL A 57 24.550 11.466 -23.778 1.00 0.00 C ATOM 790 O VAL A 57 24.100 10.669 -24.602 1.00 0.00 O ATOM 791 CB VAL A 57 22.284 11.351 -22.731 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.708 11.484 -24.131 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.355 9.891 -22.311 1.00 0.00 C ATOM 0 H VAL A 57 23.104 13.820 -23.527 1.00 0.00 H new ATOM 0 HA VAL A 57 24.134 11.750 -21.693 1.00 0.00 H new ATOM 0 HB VAL A 57 21.619 11.873 -22.043 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.724 11.016 -24.166 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.617 12.539 -24.388 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.369 10.993 -24.845 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.362 9.445 -22.375 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.037 9.355 -22.972 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.717 9.825 -21.285 1.00 0.00 H new ATOM 803 N LEU A 58 25.803 11.906 -23.805 1.00 0.00 N ATOM 804 CA LEU A 58 26.748 11.470 -24.827 1.00 0.00 C ATOM 805 C LEU A 58 27.674 10.387 -24.285 1.00 0.00 C ATOM 806 O LEU A 58 27.851 10.256 -23.073 1.00 0.00 O ATOM 807 CB LEU A 58 27.573 12.657 -25.329 1.00 0.00 C ATOM 808 CG LEU A 58 28.145 13.563 -24.237 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.094 14.553 -23.763 1.00 0.00 C ATOM 810 CD2 LEU A 58 28.667 12.734 -23.073 1.00 0.00 C ATOM 0 H LEU A 58 26.189 12.566 -23.129 1.00 0.00 H new ATOM 0 HA LEU A 58 26.179 11.054 -25.658 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.398 12.276 -25.931 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.948 13.260 -25.988 1.00 0.00 H new ATOM 0 HG LEU A 58 28.980 14.124 -24.657 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.518 15.190 -22.986 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.771 15.170 -24.602 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.238 14.011 -23.361 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.070 13.396 -22.307 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.852 12.145 -22.652 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.453 12.066 -23.425 1.00 0.00 H new ATOM 822 N PRO A 59 28.278 9.591 -25.181 1.00 0.00 N ATOM 823 CA PRO A 59 28.083 9.728 -26.627 1.00 0.00 C ATOM 824 C PRO A 59 26.740 9.175 -27.089 1.00 0.00 C ATOM 825 O PRO A 59 26.344 8.075 -26.705 1.00 0.00 O ATOM 826 CB PRO A 59 29.228 8.900 -27.209 1.00 0.00 C ATOM 827 CG PRO A 59 29.495 7.855 -26.182 1.00 0.00 C ATOM 828 CD PRO A 59 29.205 8.492 -24.849 1.00 0.00 C ATOM 0 HA PRO A 59 28.082 10.771 -26.943 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.950 8.455 -28.164 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.110 9.514 -27.388 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.863 6.982 -26.342 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.529 7.514 -26.234 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.753 7.782 -24.156 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.114 8.864 -24.377 1.00 0.00 H new ATOM 836 N PHE A 60 26.047 9.943 -27.924 1.00 0.00 N ATOM 837 CA PHE A 60 24.752 9.528 -28.448 1.00 0.00 C ATOM 838 C PHE A 60 24.829 9.321 -29.956 1.00 0.00 C ATOM 839 O PHE A 60 25.911 9.364 -30.542 1.00 0.00 O ATOM 840 CB PHE A 60 23.685 10.572 -28.118 1.00 0.00 C ATOM 841 CG PHE A 60 24.122 11.982 -28.395 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.142 12.471 -29.691 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.513 12.816 -27.361 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.544 13.767 -29.950 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.916 14.113 -27.613 1.00 0.00 C ATOM 846 CZ PHE A 60 24.931 14.589 -28.910 1.00 0.00 C ATOM 0 H PHE A 60 26.361 10.856 -28.252 1.00 0.00 H new ATOM 0 HA PHE A 60 24.478 8.584 -27.978 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.787 10.358 -28.697 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.414 10.484 -27.066 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.840 11.832 -30.508 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.503 12.448 -26.346 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.556 14.137 -30.965 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.219 14.754 -26.798 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.245 15.603 -29.110 1.00 0.00 H new ATOM 856 N THR A 61 23.679 9.098 -30.581 1.00 0.00 N ATOM 857 CA THR A 61 23.626 8.885 -32.022 1.00 0.00 C ATOM 858 C THR A 61 22.603 9.805 -32.676 1.00 0.00 C ATOM 859 O THR A 61 21.462 9.903 -32.224 1.00 0.00 O ATOM 860 CB THR A 61 23.276 7.423 -32.361 1.00 0.00 C ATOM 861 OG1 THR A 61 23.326 6.619 -31.177 1.00 0.00 O ATOM 862 CG2 THR A 61 24.236 6.862 -33.400 1.00 0.00 C ATOM 0 H THR A 61 22.773 9.060 -30.114 1.00 0.00 H new ATOM 0 HA THR A 61 24.618 9.113 -32.412 1.00 0.00 H new ATOM 0 HB THR A 61 22.267 7.402 -32.772 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.101 5.692 -31.401 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.968 5.829 -33.623 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.174 7.457 -34.311 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.254 6.897 -33.012 1.00 0.00 H new ATOM 870 N TYR A 62 23.019 10.478 -33.744 1.00 0.00 N ATOM 871 CA TYR A 62 22.139 11.391 -34.464 1.00 0.00 C ATOM 872 C TYR A 62 22.417 11.345 -35.962 1.00 0.00 C ATOM 873 O TYR A 62 23.563 11.453 -36.395 1.00 0.00 O ATOM 874 CB TYR A 62 22.314 12.819 -33.946 1.00 0.00 C ATOM 875 CG TYR A 62 21.668 13.866 -34.825 1.00 0.00 C ATOM 876 CD1 TYR A 62 20.285 13.954 -34.933 1.00 0.00 C ATOM 877 CD2 TYR A 62 22.440 14.765 -35.550 1.00 0.00 C ATOM 878 CE1 TYR A 62 19.691 14.908 -35.737 1.00 0.00 C ATOM 879 CE2 TYR A 62 21.854 15.723 -36.356 1.00 0.00 C ATOM 880 CZ TYR A 62 20.479 15.790 -36.447 1.00 0.00 C ATOM 881 OH TYR A 62 19.891 16.740 -37.250 1.00 0.00 O ATOM 0 H TYR A 62 23.961 10.408 -34.130 1.00 0.00 H new ATOM 0 HA TYR A 62 21.110 11.074 -34.292 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.891 12.887 -32.944 1.00 0.00 H new ATOM 0 HB3 TYR A 62 23.378 13.037 -33.858 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.664 13.265 -34.379 1.00 0.00 H new ATOM 0 HD2 TYR A 62 23.517 14.715 -35.483 1.00 0.00 H new ATOM 0 HE1 TYR A 62 18.615 14.963 -35.809 1.00 0.00 H new ATOM 0 HE2 TYR A 62 22.469 16.415 -36.912 1.00 0.00 H new ATOM 0 HH TYR A 62 20.586 17.282 -37.679 1.00 0.00 H new ATOM 891 N ASN A 63 21.359 11.183 -36.748 1.00 0.00 N ATOM 892 CA ASN A 63 21.486 11.123 -38.199 1.00 0.00 C ATOM 893 C ASN A 63 22.283 9.896 -38.630 1.00 0.00 C ATOM 894 O ASN A 63 22.665 9.769 -39.793 1.00 0.00 O ATOM 895 CB ASN A 63 22.160 12.391 -38.726 1.00 0.00 C ATOM 896 CG ASN A 63 21.205 13.270 -39.506 1.00 0.00 C ATOM 897 OD1 ASN A 63 20.137 12.828 -39.927 1.00 0.00 O ATOM 898 ND2 ASN A 63 21.588 14.526 -39.703 1.00 0.00 N ATOM 0 H ASN A 63 20.403 11.091 -36.404 1.00 0.00 H new ATOM 0 HA ASN A 63 20.484 11.048 -38.620 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.569 12.957 -37.889 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.999 12.115 -39.364 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.987 15.167 -40.222 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.483 14.850 -39.336 1.00 0.00 H new ATOM 905 N GLY A 64 22.527 8.993 -37.686 1.00 0.00 N ATOM 906 CA GLY A 64 23.274 7.788 -37.991 1.00 0.00 C ATOM 907 C GLY A 64 24.699 7.840 -37.477 1.00 0.00 C ATOM 908 O GLY A 64 25.397 6.826 -37.466 1.00 0.00 O ATOM 0 H GLY A 64 22.221 9.074 -36.716 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.765 6.929 -37.554 1.00 0.00 H new ATOM 0 HA3 GLY A 64 23.286 7.636 -39.070 1.00 0.00 H new ATOM 912 N ARG A 65 25.130 9.019 -37.043 1.00 0.00 N ATOM 913 CA ARG A 65 26.479 9.189 -36.519 1.00 0.00 C ATOM 914 C ARG A 65 26.458 9.224 -34.996 1.00 0.00 C ATOM 915 O ARG A 65 25.448 8.893 -34.378 1.00 0.00 O ATOM 916 CB ARG A 65 27.119 10.465 -37.072 1.00 0.00 C ATOM 917 CG ARG A 65 26.481 11.744 -36.558 1.00 0.00 C ATOM 918 CD ARG A 65 25.696 12.453 -37.647 1.00 0.00 C ATOM 919 NE ARG A 65 26.547 13.327 -38.445 1.00 0.00 N ATOM 920 CZ ARG A 65 26.080 14.233 -39.299 1.00 0.00 C ATOM 921 NH1 ARG A 65 24.773 14.381 -39.460 1.00 0.00 N ATOM 922 NH2 ARG A 65 26.919 14.991 -39.991 1.00 0.00 N ATOM 0 H ARG A 65 24.566 9.869 -37.044 1.00 0.00 H new ATOM 0 HA ARG A 65 27.079 8.338 -36.840 1.00 0.00 H new ATOM 0 HB2 ARG A 65 28.178 10.470 -36.815 1.00 0.00 H new ATOM 0 HB3 ARG A 65 27.055 10.450 -38.160 1.00 0.00 H new ATOM 0 HG2 ARG A 65 25.819 11.511 -35.724 1.00 0.00 H new ATOM 0 HG3 ARG A 65 27.255 12.409 -36.175 1.00 0.00 H new ATOM 0 HD2 ARG A 65 25.224 11.714 -38.295 1.00 0.00 H new ATOM 0 HD3 ARG A 65 24.895 13.039 -37.195 1.00 0.00 H new ATOM 0 HE ARG A 65 27.558 13.239 -38.343 1.00 0.00 H new ATOM 0 HH11 ARG A 65 24.125 13.800 -38.929 1.00 0.00 H new ATOM 0 HH12 ARG A 65 24.415 15.076 -40.115 1.00 0.00 H new ATOM 0 HH21 ARG A 65 27.926 14.880 -39.869 1.00 0.00 H new ATOM 0 HH22 ARG A 65 26.558 15.685 -40.645 1.00 0.00 H new ATOM 936 N THR A 66 27.571 9.620 -34.394 1.00 0.00 N ATOM 937 CA THR A 66 27.658 9.680 -32.940 1.00 0.00 C ATOM 938 C THR A 66 28.517 10.849 -32.474 1.00 0.00 C ATOM 939 O THR A 66 29.506 11.204 -33.116 1.00 0.00 O ATOM 940 CB THR A 66 28.233 8.375 -32.359 1.00 0.00 C ATOM 941 OG1 THR A 66 27.311 7.298 -32.563 1.00 0.00 O ATOM 942 CG2 THR A 66 28.523 8.525 -30.873 1.00 0.00 C ATOM 0 H THR A 66 28.420 9.902 -34.884 1.00 0.00 H new ATOM 0 HA THR A 66 26.640 9.821 -32.576 1.00 0.00 H new ATOM 0 HB THR A 66 29.167 8.156 -32.876 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.686 6.472 -32.192 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.928 7.590 -30.485 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.248 9.325 -30.723 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.601 8.767 -30.345 1.00 0.00 H new ATOM 950 N PHE A 67 28.132 11.438 -31.349 1.00 0.00 N ATOM 951 CA PHE A 67 28.863 12.562 -30.782 1.00 0.00 C ATOM 952 C PHE A 67 29.029 12.393 -29.277 1.00 0.00 C ATOM 953 O PHE A 67 28.067 12.099 -28.567 1.00 0.00 O ATOM 954 CB PHE A 67 28.134 13.877 -31.069 1.00 0.00 C ATOM 955 CG PHE A 67 27.464 13.925 -32.412 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.484 13.005 -32.750 1.00 0.00 C ATOM 957 CD2 PHE A 67 27.811 14.899 -33.334 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.865 13.055 -33.985 1.00 0.00 C ATOM 959 CE2 PHE A 67 27.196 14.955 -34.569 1.00 0.00 C ATOM 960 CZ PHE A 67 26.222 14.032 -34.895 1.00 0.00 C ATOM 0 H PHE A 67 27.314 11.154 -30.810 1.00 0.00 H new ATOM 0 HA PHE A 67 29.848 12.589 -31.248 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.385 14.041 -30.295 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.848 14.698 -31.001 1.00 0.00 H new ATOM 0 HD1 PHE A 67 26.201 12.241 -32.041 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.572 15.623 -33.084 1.00 0.00 H new ATOM 0 HE1 PHE A 67 25.104 12.332 -34.238 1.00 0.00 H new ATOM 0 HE2 PHE A 67 27.476 15.719 -35.279 1.00 0.00 H new ATOM 0 HZ PHE A 67 25.740 14.074 -35.860 1.00 0.00 H new ATOM 970 N TYR A 68 30.249 12.591 -28.791 1.00 0.00 N ATOM 971 CA TYR A 68 30.525 12.470 -27.365 1.00 0.00 C ATOM 972 C TYR A 68 30.315 13.813 -26.670 1.00 0.00 C ATOM 973 O TYR A 68 31.082 14.200 -25.788 1.00 0.00 O ATOM 974 CB TYR A 68 31.952 11.972 -27.134 1.00 0.00 C ATOM 975 CG TYR A 68 32.195 10.574 -27.652 1.00 0.00 C ATOM 976 CD1 TYR A 68 32.231 10.312 -29.016 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.387 9.513 -26.776 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.453 9.033 -29.492 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.610 8.232 -27.244 1.00 0.00 C ATOM 980 CZ TYR A 68 32.643 7.998 -28.602 1.00 0.00 C ATOM 981 OH TYR A 68 32.865 6.724 -29.071 1.00 0.00 O ATOM 0 H TYR A 68 31.059 12.835 -29.361 1.00 0.00 H new ATOM 0 HA TYR A 68 29.833 11.743 -26.940 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.650 12.656 -27.617 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.169 11.998 -26.066 1.00 0.00 H new ATOM 0 HD1 TYR A 68 32.083 11.121 -29.716 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.362 9.692 -25.711 1.00 0.00 H new ATOM 0 HE1 TYR A 68 32.477 8.846 -30.555 1.00 0.00 H new ATOM 0 HE2 TYR A 68 32.758 7.418 -26.549 1.00 0.00 H new ATOM 0 HH TYR A 68 32.980 6.112 -28.314 1.00 0.00 H new ATOM 991 N SER A 69 29.269 14.519 -27.089 1.00 0.00 N ATOM 992 CA SER A 69 28.939 15.826 -26.531 1.00 0.00 C ATOM 993 C SER A 69 27.924 16.535 -27.420 1.00 0.00 C ATOM 994 O SER A 69 27.254 15.904 -28.237 1.00 0.00 O ATOM 995 CB SER A 69 30.200 16.679 -26.393 1.00 0.00 C ATOM 996 OG SER A 69 30.410 17.068 -25.047 1.00 0.00 O ATOM 0 H SER A 69 28.631 14.204 -27.819 1.00 0.00 H new ATOM 0 HA SER A 69 28.504 15.682 -25.542 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.063 16.118 -26.751 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.113 17.565 -27.021 1.00 0.00 H new ATOM 0 HG SER A 69 31.224 17.611 -24.987 1.00 0.00 H new ATOM 1002 N CYS A 70 27.816 17.850 -27.264 1.00 0.00 N ATOM 1003 CA CYS A 70 26.882 18.632 -28.065 1.00 0.00 C ATOM 1004 C CYS A 70 27.322 18.668 -29.524 1.00 0.00 C ATOM 1005 O CYS A 70 28.294 18.016 -29.905 1.00 0.00 O ATOM 1006 CB CYS A 70 26.767 20.059 -27.524 1.00 0.00 C ATOM 1007 SG CYS A 70 25.399 20.295 -26.344 1.00 0.00 S ATOM 0 H CYS A 70 28.360 18.394 -26.594 1.00 0.00 H new ATOM 0 HA CYS A 70 25.905 18.152 -28.003 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.704 20.329 -27.037 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.634 20.744 -28.361 1.00 0.00 H new ATOM 1012 N THR A 71 26.598 19.429 -30.335 1.00 0.00 N ATOM 1013 CA THR A 71 26.911 19.543 -31.752 1.00 0.00 C ATOM 1014 C THR A 71 25.915 20.451 -32.461 1.00 0.00 C ATOM 1015 O THR A 71 24.717 20.413 -32.179 1.00 0.00 O ATOM 1016 CB THR A 71 26.905 18.167 -32.440 1.00 0.00 C ATOM 1017 OG1 THR A 71 27.355 18.294 -33.794 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.509 17.558 -32.421 1.00 0.00 C ATOM 0 H THR A 71 25.791 19.976 -30.035 1.00 0.00 H new ATOM 0 HA THR A 71 27.910 19.974 -31.821 1.00 0.00 H new ATOM 0 HB THR A 71 27.580 17.509 -31.892 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.414 17.406 -34.204 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.530 16.586 -32.913 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.179 17.436 -31.389 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.818 18.216 -32.947 1.00 0.00 H new ATOM 1026 N THR A 72 26.415 21.264 -33.384 1.00 0.00 N ATOM 1027 CA THR A 72 25.562 22.174 -34.134 1.00 0.00 C ATOM 1028 C THR A 72 25.275 21.621 -35.528 1.00 0.00 C ATOM 1029 O THR A 72 25.399 22.329 -36.528 1.00 0.00 O ATOM 1030 CB THR A 72 26.203 23.568 -34.267 1.00 0.00 C ATOM 1031 OG1 THR A 72 27.603 23.442 -34.544 1.00 0.00 O ATOM 1032 CG2 THR A 72 26.002 24.378 -32.994 1.00 0.00 C ATOM 0 H THR A 72 27.404 21.311 -33.630 1.00 0.00 H new ATOM 0 HA THR A 72 24.629 22.268 -33.579 1.00 0.00 H new ATOM 0 HB THR A 72 25.718 24.089 -35.092 1.00 0.00 H new ATOM 0 HG1 THR A 72 28.001 24.333 -34.629 1.00 0.00 H new ATOM 0 HG21 THR A 72 26.463 25.359 -33.110 1.00 0.00 H new ATOM 0 HG22 THR A 72 24.935 24.498 -32.804 1.00 0.00 H new ATOM 0 HG23 THR A 72 26.464 23.858 -32.155 1.00 0.00 H new ATOM 1040 N GLU A 73 24.903 20.345 -35.583 1.00 0.00 N ATOM 1041 CA GLU A 73 24.607 19.684 -36.851 1.00 0.00 C ATOM 1042 C GLU A 73 23.104 19.611 -37.100 1.00 0.00 C ATOM 1043 O GLU A 73 22.647 18.886 -37.984 1.00 0.00 O ATOM 1044 CB GLU A 73 25.192 18.271 -36.853 1.00 0.00 C ATOM 1045 CG GLU A 73 26.687 18.229 -37.125 1.00 0.00 C ATOM 1046 CD GLU A 73 27.023 18.535 -38.573 1.00 0.00 C ATOM 1047 OE1 GLU A 73 27.186 19.727 -38.904 1.00 0.00 O ATOM 1048 OE2 GLU A 73 27.124 17.581 -39.373 1.00 0.00 O ATOM 0 H GLU A 73 24.799 19.747 -34.763 1.00 0.00 H new ATOM 0 HA GLU A 73 25.061 20.272 -37.649 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.994 17.804 -35.888 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.678 17.675 -37.607 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.191 18.948 -36.479 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.073 17.243 -36.866 1.00 0.00 H new ATOM 1055 N GLY A 74 22.343 20.361 -36.315 1.00 0.00 N ATOM 1056 CA GLY A 74 20.899 20.356 -36.465 1.00 0.00 C ATOM 1057 C GLY A 74 20.300 21.750 -36.504 1.00 0.00 C ATOM 1058 O GLY A 74 19.090 21.913 -36.356 1.00 0.00 O ATOM 0 H GLY A 74 22.697 20.972 -35.579 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.637 19.828 -37.382 1.00 0.00 H new ATOM 0 HA3 GLY A 74 20.456 19.799 -35.639 1.00 0.00 H new ATOM 1122 N HIS A 79 24.448 26.810 -32.339 1.00 0.00 N ATOM 1123 CA HIS A 79 24.257 26.486 -30.929 1.00 0.00 C ATOM 1124 C HIS A 79 24.556 25.013 -30.662 1.00 0.00 C ATOM 1125 O HIS A 79 23.901 24.127 -31.207 1.00 0.00 O ATOM 1126 CB HIS A 79 22.825 26.806 -30.497 1.00 0.00 C ATOM 1127 CG HIS A 79 22.375 28.181 -30.879 1.00 0.00 C ATOM 1128 ND1 HIS A 79 23.246 29.187 -31.240 1.00 0.00 N ATOM 1129 CD2 HIS A 79 21.132 28.717 -30.955 1.00 0.00 C ATOM 1130 CE1 HIS A 79 22.562 30.281 -31.521 1.00 0.00 C ATOM 1131 NE2 HIS A 79 21.278 30.021 -31.357 1.00 0.00 N ATOM 0 HA HIS A 79 24.951 27.094 -30.349 1.00 0.00 H new ATOM 0 HB2 HIS A 79 22.149 26.075 -30.941 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.748 26.695 -29.415 1.00 0.00 H new ATOM 0 HD2 HIS A 79 20.202 28.213 -30.740 1.00 0.00 H new ATOM 0 HE1 HIS A 79 22.981 31.227 -31.832 1.00 0.00 H new ATOM 0 HE2 HIS A 79 20.517 30.683 -31.505 1.00 0.00 H new ATOM 1140 N LEU A 80 25.547 24.759 -29.815 1.00 0.00 N ATOM 1141 CA LEU A 80 25.925 23.393 -29.474 1.00 0.00 C ATOM 1142 C LEU A 80 24.800 22.704 -28.711 1.00 0.00 C ATOM 1143 O LEU A 80 24.480 23.083 -27.584 1.00 0.00 O ATOM 1144 CB LEU A 80 27.200 23.393 -28.626 1.00 0.00 C ATOM 1145 CG LEU A 80 28.502 23.561 -29.411 1.00 0.00 C ATOM 1146 CD1 LEU A 80 28.454 24.824 -30.257 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.691 23.596 -28.462 1.00 0.00 C ATOM 0 H LEU A 80 26.102 25.479 -29.353 1.00 0.00 H new ATOM 0 HA LEU A 80 26.111 22.847 -30.399 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.130 24.196 -27.893 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.248 22.457 -28.070 1.00 0.00 H new ATOM 0 HG LEU A 80 28.618 22.707 -30.078 1.00 0.00 H new ATOM 0 HD11 LEU A 80 29.388 24.928 -30.809 1.00 0.00 H new ATOM 0 HD12 LEU A 80 27.623 24.760 -30.959 1.00 0.00 H new ATOM 0 HD13 LEU A 80 28.316 25.690 -29.610 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.610 23.716 -29.035 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.581 24.433 -27.772 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.734 22.664 -27.898 1.00 0.00 H new ATOM 1159 N TRP A 81 24.200 21.690 -29.326 1.00 0.00 N ATOM 1160 CA TRP A 81 23.111 20.961 -28.691 1.00 0.00 C ATOM 1161 C TRP A 81 23.469 19.490 -28.492 1.00 0.00 C ATOM 1162 O TRP A 81 24.300 18.938 -29.212 1.00 0.00 O ATOM 1163 CB TRP A 81 21.829 21.086 -29.516 1.00 0.00 C ATOM 1164 CG TRP A 81 21.902 20.395 -30.842 1.00 0.00 C ATOM 1165 CD1 TRP A 81 22.215 20.961 -32.044 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.654 19.010 -31.101 1.00 0.00 C ATOM 1167 NE1 TRP A 81 22.179 20.010 -33.034 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.837 18.804 -32.481 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.296 17.921 -30.300 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.674 17.557 -33.076 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.135 16.683 -30.892 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.324 16.510 -32.269 1.00 0.00 C ATOM 0 H TRP A 81 24.448 21.357 -30.258 1.00 0.00 H new ATOM 0 HA TRP A 81 22.943 21.404 -27.709 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.997 20.673 -28.945 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.612 22.142 -29.677 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.456 22.003 -32.194 1.00 0.00 H new ATOM 0 HE1 TRP A 81 22.375 20.175 -34.021 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.148 18.045 -29.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.819 17.421 -34.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.859 15.835 -30.283 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.191 15.530 -32.702 1.00 0.00 H new ATOM 1183 N CYS A 82 22.834 18.869 -27.503 1.00 0.00 N ATOM 1184 CA CYS A 82 23.073 17.464 -27.189 1.00 0.00 C ATOM 1185 C CYS A 82 21.752 16.750 -26.912 1.00 0.00 C ATOM 1186 O CYS A 82 20.697 17.203 -27.345 1.00 0.00 O ATOM 1187 CB CYS A 82 23.999 17.353 -25.976 1.00 0.00 C ATOM 1188 SG CYS A 82 23.328 18.112 -24.462 1.00 0.00 S ATOM 0 H CYS A 82 22.145 19.320 -26.901 1.00 0.00 H new ATOM 0 HA CYS A 82 23.551 16.987 -28.045 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.203 16.300 -25.783 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.952 17.824 -26.215 1.00 0.00 H new ATOM 1193 N SER A 83 21.808 15.638 -26.187 1.00 0.00 N ATOM 1194 CA SER A 83 20.603 14.884 -25.863 1.00 0.00 C ATOM 1195 C SER A 83 20.526 14.613 -24.364 1.00 0.00 C ATOM 1196 O SER A 83 21.517 14.226 -23.744 1.00 0.00 O ATOM 1197 CB SER A 83 20.580 13.568 -26.642 1.00 0.00 C ATOM 1198 OG SER A 83 19.735 12.622 -26.019 1.00 0.00 O ATOM 0 H SER A 83 22.670 15.241 -25.814 1.00 0.00 H new ATOM 0 HA SER A 83 19.735 15.478 -26.149 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.238 13.751 -27.661 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.591 13.166 -26.713 1.00 0.00 H new ATOM 0 HG SER A 83 20.082 11.719 -26.177 1.00 0.00 H new ATOM 1204 N THR A 84 19.351 14.832 -23.781 1.00 0.00 N ATOM 1205 CA THR A 84 19.166 14.621 -22.348 1.00 0.00 C ATOM 1206 C THR A 84 18.983 13.145 -22.007 1.00 0.00 C ATOM 1207 O THR A 84 19.104 12.753 -20.846 1.00 0.00 O ATOM 1208 CB THR A 84 17.962 15.416 -21.805 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.765 14.643 -21.935 1.00 0.00 O ATOM 1210 CG2 THR A 84 17.806 16.738 -22.542 1.00 0.00 C ATOM 0 H THR A 84 18.518 15.153 -24.274 1.00 0.00 H new ATOM 0 HA THR A 84 20.077 14.982 -21.871 1.00 0.00 H new ATOM 0 HB THR A 84 18.142 15.629 -20.751 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.142 14.882 -21.218 1.00 0.00 H new ATOM 0 HG21 THR A 84 16.950 17.280 -22.140 1.00 0.00 H new ATOM 0 HG22 THR A 84 18.708 17.336 -22.411 1.00 0.00 H new ATOM 0 HG23 THR A 84 17.649 16.546 -23.603 1.00 0.00 H new ATOM 1218 N THR A 85 18.695 12.326 -23.014 1.00 0.00 N ATOM 1219 CA THR A 85 18.504 10.898 -22.789 1.00 0.00 C ATOM 1220 C THR A 85 19.041 10.067 -23.953 1.00 0.00 C ATOM 1221 O THR A 85 19.267 10.582 -25.047 1.00 0.00 O ATOM 1222 CB THR A 85 17.016 10.558 -22.542 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.910 9.459 -21.630 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.296 10.212 -23.839 1.00 0.00 C ATOM 0 H THR A 85 18.590 12.623 -23.984 1.00 0.00 H new ATOM 0 HA THR A 85 19.072 10.643 -21.894 1.00 0.00 H new ATOM 0 HB THR A 85 16.542 11.442 -22.115 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.965 9.251 -21.477 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.253 9.979 -23.625 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.346 11.061 -24.520 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.774 9.348 -24.301 1.00 0.00 H new ATOM 1232 N SER A 86 19.242 8.778 -23.708 1.00 0.00 N ATOM 1233 CA SER A 86 19.754 7.875 -24.732 1.00 0.00 C ATOM 1234 C SER A 86 18.885 7.911 -25.983 1.00 0.00 C ATOM 1235 O SER A 86 19.385 8.092 -27.092 1.00 0.00 O ATOM 1236 CB SER A 86 19.827 6.446 -24.190 1.00 0.00 C ATOM 1237 OG SER A 86 20.991 5.785 -24.655 1.00 0.00 O ATOM 0 H SER A 86 19.058 8.334 -22.808 1.00 0.00 H new ATOM 0 HA SER A 86 20.756 8.209 -25.002 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.827 6.466 -23.100 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.941 5.891 -24.499 1.00 0.00 H new ATOM 0 HG SER A 86 21.016 4.874 -24.294 1.00 0.00 H new ATOM 1243 N ASN A 87 17.581 7.730 -25.799 1.00 0.00 N ATOM 1244 CA ASN A 87 16.646 7.737 -26.917 1.00 0.00 C ATOM 1245 C ASN A 87 16.263 9.159 -27.311 1.00 0.00 C ATOM 1246 O ASN A 87 15.205 9.655 -26.925 1.00 0.00 O ATOM 1247 CB ASN A 87 15.388 6.944 -26.562 1.00 0.00 C ATOM 1248 CG ASN A 87 15.104 5.833 -27.553 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.671 5.798 -28.645 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.221 4.916 -27.175 1.00 0.00 N ATOM 0 H ASN A 87 17.149 7.577 -24.888 1.00 0.00 H new ATOM 0 HA ASN A 87 17.142 7.268 -27.767 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.500 6.518 -25.565 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.534 7.621 -26.525 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.989 4.143 -27.799 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.775 4.984 -26.260 1.00 0.00 H new ATOM 1257 N TYR A 88 17.124 9.808 -28.089 1.00 0.00 N ATOM 1258 CA TYR A 88 16.860 11.168 -28.539 1.00 0.00 C ATOM 1259 C TYR A 88 15.925 11.158 -29.741 1.00 0.00 C ATOM 1260 O TYR A 88 15.090 12.048 -29.901 1.00 0.00 O ATOM 1261 CB TYR A 88 18.163 11.877 -28.901 1.00 0.00 C ATOM 1262 CG TYR A 88 17.956 13.118 -29.738 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.496 14.295 -29.165 1.00 0.00 C ATOM 1264 CD2 TYR A 88 18.217 13.110 -31.102 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.301 15.432 -29.927 1.00 0.00 C ATOM 1266 CE2 TYR A 88 18.026 14.241 -31.871 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.568 15.399 -31.280 1.00 0.00 C ATOM 1268 OH TYR A 88 17.377 16.529 -32.042 1.00 0.00 O ATOM 0 H TYR A 88 18.006 9.415 -28.419 1.00 0.00 H new ATOM 0 HA TYR A 88 16.382 11.709 -27.723 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.687 12.148 -27.985 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.807 11.185 -29.443 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.287 14.323 -28.106 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.575 12.204 -31.569 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.942 16.340 -29.466 1.00 0.00 H new ATOM 0 HE2 TYR A 88 18.234 14.218 -32.930 1.00 0.00 H new ATOM 0 HH TYR A 88 17.612 16.339 -32.974 1.00 0.00 H new ATOM 1278 N GLU A 89 16.069 10.139 -30.582 1.00 0.00 N ATOM 1279 CA GLU A 89 15.235 10.006 -31.767 1.00 0.00 C ATOM 1280 C GLU A 89 13.790 9.709 -31.380 1.00 0.00 C ATOM 1281 O GLU A 89 12.898 9.711 -32.228 1.00 0.00 O ATOM 1282 CB GLU A 89 15.772 8.895 -32.672 1.00 0.00 C ATOM 1283 CG GLU A 89 17.040 9.278 -33.419 1.00 0.00 C ATOM 1284 CD GLU A 89 17.705 8.089 -34.084 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.979 7.229 -34.626 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.952 8.018 -34.064 1.00 0.00 O ATOM 0 H GLU A 89 16.756 9.394 -30.463 1.00 0.00 H new ATOM 0 HA GLU A 89 15.262 10.951 -32.310 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.970 8.009 -32.068 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.003 8.623 -33.395 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.800 10.026 -34.175 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.741 9.741 -32.724 1.00 0.00 H new ATOM 1293 N GLN A 90 13.566 9.454 -30.094 1.00 0.00 N ATOM 1294 CA GLN A 90 12.230 9.156 -29.597 1.00 0.00 C ATOM 1295 C GLN A 90 11.695 10.309 -28.752 1.00 0.00 C ATOM 1296 O GLN A 90 10.575 10.775 -28.957 1.00 0.00 O ATOM 1297 CB GLN A 90 12.247 7.856 -28.782 1.00 0.00 C ATOM 1298 CG GLN A 90 11.216 7.811 -27.662 1.00 0.00 C ATOM 1299 CD GLN A 90 9.795 7.947 -28.174 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.119 9.014 -27.764 1.00 0.00 O flip ATOM 1301 NE2 GLN A 90 9.312 7.104 -28.930 1.00 0.00 N flip ATOM 0 H GLN A 90 14.293 9.448 -29.379 1.00 0.00 H new ATOM 0 HA GLN A 90 11.566 9.026 -30.451 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.074 7.016 -29.455 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.240 7.722 -28.353 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.315 6.871 -27.119 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.421 8.612 -26.952 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.869 6.300 -29.219 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.355 7.210 -29.267 1.00 0.00 H new ATOM 1310 N ASP A 91 12.504 10.759 -27.804 1.00 0.00 N ATOM 1311 CA ASP A 91 12.116 11.855 -26.924 1.00 0.00 C ATOM 1312 C ASP A 91 12.317 13.200 -27.614 1.00 0.00 C ATOM 1313 O ASP A 91 11.424 14.046 -27.618 1.00 0.00 O ATOM 1314 CB ASP A 91 12.927 11.808 -25.627 1.00 0.00 C ATOM 1315 CG ASP A 91 12.672 10.542 -24.832 1.00 0.00 C ATOM 1316 OD1 ASP A 91 12.698 9.447 -25.432 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.448 10.646 -23.607 1.00 0.00 O ATOM 0 H ASP A 91 13.435 10.382 -27.623 1.00 0.00 H new ATOM 0 HA ASP A 91 11.058 11.741 -26.686 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.989 11.878 -25.863 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.679 12.675 -25.015 1.00 0.00 H new ATOM 1322 N GLN A 92 13.496 13.383 -28.199 1.00 0.00 N ATOM 1323 CA GLN A 92 13.828 14.621 -28.901 1.00 0.00 C ATOM 1324 C GLN A 92 14.365 15.683 -27.945 1.00 0.00 C ATOM 1325 O GLN A 92 15.146 16.546 -28.346 1.00 0.00 O ATOM 1326 CB GLN A 92 12.605 15.161 -29.644 1.00 0.00 C ATOM 1327 CG GLN A 92 11.865 14.102 -30.441 1.00 0.00 C ATOM 1328 CD GLN A 92 11.812 14.419 -31.922 1.00 0.00 C ATOM 1329 OE1 GLN A 92 11.316 15.470 -32.326 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.326 13.508 -32.740 1.00 0.00 N ATOM 0 H GLN A 92 14.242 12.687 -28.202 1.00 0.00 H new ATOM 0 HA GLN A 92 14.612 14.387 -29.622 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.920 15.607 -28.923 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.921 15.957 -30.318 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.352 13.138 -30.297 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.849 14.007 -30.057 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.727 12.650 -32.361 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.320 13.666 -33.748 1.00 0.00 H new ATOM 1339 N LYS A 93 13.947 15.623 -26.683 1.00 0.00 N ATOM 1340 CA LYS A 93 14.402 16.591 -25.693 1.00 0.00 C ATOM 1341 C LYS A 93 15.921 16.718 -25.735 1.00 0.00 C ATOM 1342 O LYS A 93 16.652 15.791 -25.377 1.00 0.00 O ATOM 1343 CB LYS A 93 13.926 16.195 -24.291 1.00 0.00 C ATOM 1344 CG LYS A 93 14.852 15.230 -23.570 1.00 0.00 C ATOM 1345 CD LYS A 93 14.977 13.912 -24.317 1.00 0.00 C ATOM 1346 CE LYS A 93 16.406 13.398 -24.303 1.00 0.00 C ATOM 1347 NZ LYS A 93 16.853 12.966 -25.654 1.00 0.00 N ATOM 0 H LYS A 93 13.300 14.920 -26.326 1.00 0.00 H new ATOM 0 HA LYS A 93 13.970 17.562 -25.934 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.818 17.096 -23.688 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.937 15.743 -24.369 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.838 15.683 -23.462 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.474 15.045 -22.564 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.318 13.171 -23.863 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.647 14.044 -25.347 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.070 14.180 -23.934 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.484 12.560 -23.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.858 12.702 -25.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.290 12.147 -25.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.723 13.747 -26.329 1.00 0.00 H new ATOM 1361 N TYR A 94 16.389 17.870 -26.202 1.00 0.00 N ATOM 1362 CA TYR A 94 17.818 18.123 -26.322 1.00 0.00 C ATOM 1363 C TYR A 94 18.273 19.229 -25.377 1.00 0.00 C ATOM 1364 O TYR A 94 17.457 19.918 -24.765 1.00 0.00 O ATOM 1365 CB TYR A 94 18.153 18.503 -27.766 1.00 0.00 C ATOM 1366 CG TYR A 94 17.622 19.857 -28.177 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.129 21.022 -27.615 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.616 19.971 -29.127 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.648 22.262 -27.988 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.131 21.208 -29.507 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.649 22.350 -28.935 1.00 0.00 C ATOM 1372 OH TYR A 94 16.169 23.583 -29.310 1.00 0.00 O ATOM 0 H TYR A 94 15.797 18.644 -26.504 1.00 0.00 H new ATOM 0 HA TYR A 94 18.347 17.211 -26.047 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.236 18.493 -27.893 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.747 17.745 -28.435 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.912 20.957 -26.874 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.206 19.079 -29.576 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.052 23.158 -27.540 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.349 21.280 -30.249 1.00 0.00 H new ATOM 0 HH TYR A 94 15.469 23.470 -29.987 1.00 0.00 H new ATOM 1382 N SER A 95 19.586 19.398 -25.277 1.00 0.00 N ATOM 1383 CA SER A 95 20.172 20.424 -24.425 1.00 0.00 C ATOM 1384 C SER A 95 21.277 21.154 -25.179 1.00 0.00 C ATOM 1385 O SER A 95 21.772 20.658 -26.188 1.00 0.00 O ATOM 1386 CB SER A 95 20.732 19.804 -23.143 1.00 0.00 C ATOM 1387 OG SER A 95 20.662 18.389 -23.187 1.00 0.00 O ATOM 0 H SER A 95 20.269 18.832 -25.780 1.00 0.00 H new ATOM 0 HA SER A 95 19.394 21.136 -24.152 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.768 20.116 -23.007 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.173 20.172 -22.283 1.00 0.00 H new ATOM 0 HG SER A 95 21.568 18.018 -23.237 1.00 0.00 H new ATOM 1393 N PHE A 96 21.658 22.331 -24.698 1.00 0.00 N ATOM 1394 CA PHE A 96 22.703 23.110 -25.355 1.00 0.00 C ATOM 1395 C PHE A 96 24.043 22.947 -24.646 1.00 0.00 C ATOM 1396 O PHE A 96 24.162 22.184 -23.687 1.00 0.00 O ATOM 1397 CB PHE A 96 22.319 24.590 -25.401 1.00 0.00 C ATOM 1398 CG PHE A 96 21.389 24.942 -26.529 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.504 24.323 -27.765 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.397 25.893 -26.352 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.648 24.647 -28.801 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.538 26.221 -27.385 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.664 25.597 -28.610 1.00 0.00 C ATOM 0 H PHE A 96 21.264 22.765 -23.863 1.00 0.00 H new ATOM 0 HA PHE A 96 22.804 22.734 -26.373 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.849 24.863 -24.456 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.226 25.188 -25.490 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.271 23.579 -27.920 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.293 26.384 -25.396 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.749 24.158 -29.759 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.769 26.964 -27.234 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.994 25.851 -29.418 1.00 0.00 H new ATOM 1413 N CYS A 97 25.047 23.673 -25.129 1.00 0.00 N ATOM 1414 CA CYS A 97 26.385 23.624 -24.550 1.00 0.00 C ATOM 1415 C CYS A 97 27.169 24.882 -24.908 1.00 0.00 C ATOM 1416 O CYS A 97 27.317 25.221 -26.081 1.00 0.00 O ATOM 1417 CB CYS A 97 27.142 22.388 -25.037 1.00 0.00 C ATOM 1418 SG CYS A 97 26.336 20.809 -24.621 1.00 0.00 S ATOM 0 H CYS A 97 24.958 24.305 -25.924 1.00 0.00 H new ATOM 0 HA CYS A 97 26.280 23.567 -23.467 1.00 0.00 H new ATOM 0 HB2 CYS A 97 27.259 22.450 -26.119 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.144 22.396 -24.607 1.00 0.00 H new ATOM 1423 N THR A 98 27.664 25.568 -23.888 1.00 0.00 N ATOM 1424 CA THR A 98 28.431 26.789 -24.085 1.00 0.00 C ATOM 1425 C THR A 98 29.668 26.536 -24.941 1.00 0.00 C ATOM 1426 O THR A 98 30.092 25.393 -25.115 1.00 0.00 O ATOM 1427 CB THR A 98 28.867 27.387 -22.737 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.308 26.345 -21.859 1.00 0.00 O ATOM 1429 CG2 THR A 98 27.724 28.154 -22.089 1.00 0.00 C ATOM 0 H THR A 98 27.547 25.298 -22.911 1.00 0.00 H new ATOM 0 HA THR A 98 27.781 27.495 -24.602 1.00 0.00 H new ATOM 0 HB THR A 98 29.689 28.079 -22.921 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.586 26.734 -21.003 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.057 28.567 -21.137 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.411 28.965 -22.747 1.00 0.00 H new ATOM 0 HG23 THR A 98 26.884 27.480 -21.918 1.00 0.00 H new