USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 702 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 84 THR OG1 : rot 150:sc= -1.12 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 62 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 63 ASN : amide:sc= -4.06! X(o=-4.1!,f=-4.4) USER MOD Set 3.1: A 51 SER OG : rot 70:sc= -0.986 USER MOD Set 3.2: A 95 SER OG : rot 75:sc= 1.14 USER MOD Set 4.1: A 39 GLN : amide:sc= -1.66 K(o=-1.8,f=-2.5!) USER MOD Set 4.2: A 69 SER OG : rot 9:sc= -0.115 USER MOD Set 5.1: A 20 LYS NZ :NH3+ 151:sc= 0 (180deg=0) USER MOD Set 5.2: A 22 GLN :FLIP amide:sc= -2.99! C(o=-7.6!,f=-5.6!) USER MOD Set 5.3: A 27 MET CE :methyl 169:sc= -2.63! (180deg=-2.35!) USER MOD Set 6.1: A 3 HIS :FLIP no HE2:sc= 0.102 F(o=-0.39,f=0.13) USER MOD Set 6.2: A 13 SER OG : rot 21:sc= 0.0269 USER MOD Single : A 1 TYR N :NH3+ 143:sc= 0.0479 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.59 USER MOD Single : A 8 SER OG : rot -64:sc= 1.06 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 136:sc= -0.889 (180deg=-2.96!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 30 THR OG1 : rot 150:sc= -1.97! USER MOD Single : A 34 ASN : amide:sc= -2.3 K(o=-2.3,f=-3.6!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.127 USER MOD Single : A 41 THR OG1 : rot 17:sc= 0.631 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 45 GLN : amide:sc= -0.921 K(o=-0.92,f=-5.2!) USER MOD Single : A 46 THR OG1 : rot -174:sc= 0.237 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.33! C(o=-2.2!,f=-1.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.676 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-4.3!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.431 K(o=-0.43,f=-3!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= 0.578 F(o=-0.25,f=0.58) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 14:sc= -1.79! USER MOD Single : A 100 HIS : no HD1:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 52.233 11.782 -43.905 1.00 0.00 N ATOM 2 CA TYR A 1 51.791 11.014 -42.712 1.00 0.00 C ATOM 3 C TYR A 1 50.304 11.217 -42.444 1.00 0.00 C ATOM 4 O TYR A 1 49.717 12.212 -42.866 1.00 0.00 O ATOM 5 CB TYR A 1 52.611 11.474 -41.503 1.00 0.00 C ATOM 6 CG TYR A 1 53.721 10.520 -41.124 1.00 0.00 C ATOM 7 CD1 TYR A 1 53.502 9.149 -41.091 1.00 0.00 C ATOM 8 CD2 TYR A 1 54.987 10.990 -40.801 1.00 0.00 C ATOM 9 CE1 TYR A 1 54.514 8.273 -40.746 1.00 0.00 C ATOM 10 CE2 TYR A 1 56.004 10.120 -40.455 1.00 0.00 C ATOM 11 CZ TYR A 1 55.763 8.764 -40.429 1.00 0.00 C ATOM 12 OH TYR A 1 56.773 7.894 -40.087 1.00 0.00 O ATOM 0 H1 TYR A 1 53.190 12.155 -43.743 1.00 0.00 H new ATOM 0 H2 TYR A 1 52.241 11.157 -44.737 1.00 0.00 H new ATOM 0 H3 TYR A 1 51.578 12.572 -44.072 1.00 0.00 H new ATOM 0 HA TYR A 1 51.950 9.951 -42.894 1.00 0.00 H new ATOM 0 HB2 TYR A 1 53.042 12.452 -41.718 1.00 0.00 H new ATOM 0 HB3 TYR A 1 51.945 11.600 -40.650 1.00 0.00 H new ATOM 0 HD1 TYR A 1 52.525 8.761 -41.339 1.00 0.00 H new ATOM 0 HD2 TYR A 1 55.180 12.052 -40.820 1.00 0.00 H new ATOM 0 HE1 TYR A 1 54.327 7.209 -40.725 1.00 0.00 H new ATOM 0 HE2 TYR A 1 56.983 10.502 -40.206 1.00 0.00 H new ATOM 0 HH TYR A 1 57.589 8.400 -39.894 1.00 0.00 H new ATOM 24 N GLY A 2 49.701 10.264 -41.740 1.00 0.00 N ATOM 25 CA GLY A 2 48.288 10.352 -41.426 1.00 0.00 C ATOM 26 C GLY A 2 47.772 9.106 -40.735 1.00 0.00 C ATOM 27 O GLY A 2 46.646 8.673 -40.977 1.00 0.00 O ATOM 0 H GLY A 2 50.168 9.431 -41.381 1.00 0.00 H new ATOM 0 HA2 GLY A 2 48.114 11.217 -40.787 1.00 0.00 H new ATOM 0 HA3 GLY A 2 47.724 10.515 -42.344 1.00 0.00 H new ATOM 31 N HIS A 3 48.600 8.525 -39.874 1.00 0.00 N ATOM 32 CA HIS A 3 48.225 7.321 -39.148 1.00 0.00 C ATOM 33 C HIS A 3 48.272 7.557 -37.643 1.00 0.00 C ATOM 34 O HIS A 3 49.206 8.174 -37.131 1.00 0.00 O ATOM 35 CB HIS A 3 49.160 6.173 -39.522 1.00 0.00 C ATOM 36 CG HIS A 3 48.651 5.330 -40.649 1.00 0.00 C ATOM 37 ND1 HIS A 3 47.682 4.385 -40.682 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 49.152 5.406 -41.931 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 47.615 3.914 -41.970 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 48.512 4.546 -42.704 1.00 0.00 N flip ATOM 0 H HIS A 3 49.536 8.870 -39.663 1.00 0.00 H new ATOM 0 HA HIS A 3 47.204 7.060 -39.424 1.00 0.00 H new ATOM 0 HB2 HIS A 3 50.133 6.582 -39.795 1.00 0.00 H new ATOM 0 HB3 HIS A 3 49.314 5.541 -38.647 1.00 0.00 H new ATOM 0 HD1 HIS A 3 47.108 4.080 -39.896 1.00 0.00 H new ATOM 0 HD2 HIS A 3 49.944 6.066 -42.253 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.938 3.151 -42.325 1.00 0.00 H new ATOM 49 N CYS A 4 47.260 7.062 -36.937 1.00 0.00 N ATOM 50 CA CYS A 4 47.195 7.223 -35.489 1.00 0.00 C ATOM 51 C CYS A 4 47.107 5.872 -34.790 1.00 0.00 C ATOM 52 O CYS A 4 47.118 4.824 -35.436 1.00 0.00 O ATOM 53 CB CYS A 4 45.993 8.086 -35.102 1.00 0.00 C ATOM 54 SG CYS A 4 44.539 7.857 -36.176 1.00 0.00 S ATOM 0 H CYS A 4 46.477 6.548 -37.342 1.00 0.00 H new ATOM 0 HA CYS A 4 48.111 7.719 -35.167 1.00 0.00 H new ATOM 0 HB2 CYS A 4 45.712 7.859 -34.074 1.00 0.00 H new ATOM 0 HB3 CYS A 4 46.289 9.135 -35.127 1.00 0.00 H new ATOM 59 N VAL A 5 47.016 5.907 -33.466 1.00 0.00 N ATOM 60 CA VAL A 5 46.919 4.692 -32.670 1.00 0.00 C ATOM 61 C VAL A 5 46.351 5.000 -31.289 1.00 0.00 C ATOM 62 O VAL A 5 45.629 5.982 -31.112 1.00 0.00 O ATOM 63 CB VAL A 5 48.291 4.002 -32.514 1.00 0.00 C ATOM 64 CG1 VAL A 5 49.026 3.954 -33.844 1.00 0.00 C ATOM 65 CG2 VAL A 5 49.131 4.707 -31.459 1.00 0.00 C ATOM 0 H VAL A 5 47.007 6.768 -32.920 1.00 0.00 H new ATOM 0 HA VAL A 5 46.249 4.014 -33.199 1.00 0.00 H new ATOM 0 HB VAL A 5 48.120 2.977 -32.184 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.990 3.464 -33.709 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.433 3.395 -34.568 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.183 4.969 -34.210 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.094 4.205 -31.365 1.00 0.00 H new ATOM 0 HG22 VAL A 5 49.290 5.744 -31.754 1.00 0.00 H new ATOM 0 HG23 VAL A 5 48.612 4.678 -30.501 1.00 0.00 H new ATOM 75 N THR A 6 46.677 4.161 -30.313 1.00 0.00 N ATOM 76 CA THR A 6 46.189 4.359 -28.954 1.00 0.00 C ATOM 77 C THR A 6 47.318 4.238 -27.934 1.00 0.00 C ATOM 78 O THR A 6 48.010 5.214 -27.647 1.00 0.00 O ATOM 79 CB THR A 6 45.075 3.356 -28.606 1.00 0.00 C ATOM 80 OG1 THR A 6 45.586 2.018 -28.647 1.00 0.00 O ATOM 81 CG2 THR A 6 43.912 3.492 -29.578 1.00 0.00 C ATOM 0 H THR A 6 47.273 3.342 -30.436 1.00 0.00 H new ATOM 0 HA THR A 6 45.781 5.369 -28.910 1.00 0.00 H new ATOM 0 HB THR A 6 44.719 3.573 -27.599 1.00 0.00 H new ATOM 0 HG1 THR A 6 44.870 1.387 -28.422 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.134 2.775 -29.317 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.508 4.503 -29.523 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.260 3.296 -30.592 1.00 0.00 H new ATOM 89 N ASP A 7 47.499 3.040 -27.387 1.00 0.00 N ATOM 90 CA ASP A 7 48.545 2.805 -26.398 1.00 0.00 C ATOM 91 C ASP A 7 49.795 2.229 -27.055 1.00 0.00 C ATOM 92 O ASP A 7 50.914 2.644 -26.755 1.00 0.00 O ATOM 93 CB ASP A 7 48.046 1.856 -25.307 1.00 0.00 C ATOM 94 CG ASP A 7 46.539 1.888 -25.158 1.00 0.00 C ATOM 95 OD1 ASP A 7 45.998 2.960 -24.816 1.00 0.00 O ATOM 96 OD2 ASP A 7 45.898 0.839 -25.381 1.00 0.00 O ATOM 0 H ASP A 7 46.937 2.219 -27.611 1.00 0.00 H new ATOM 0 HA ASP A 7 48.801 3.763 -25.945 1.00 0.00 H new ATOM 0 HB2 ASP A 7 48.364 0.840 -25.540 1.00 0.00 H new ATOM 0 HB3 ASP A 7 48.508 2.124 -24.357 1.00 0.00 H new ATOM 101 N SER A 8 49.592 1.271 -27.950 1.00 0.00 N ATOM 102 CA SER A 8 50.698 0.631 -28.653 1.00 0.00 C ATOM 103 C SER A 8 50.280 -0.733 -29.192 1.00 0.00 C ATOM 104 O SER A 8 50.775 -1.767 -28.744 1.00 0.00 O ATOM 105 CB SER A 8 51.902 0.476 -27.723 1.00 0.00 C ATOM 106 OG SER A 8 52.745 -0.580 -28.151 1.00 0.00 O ATOM 0 H SER A 8 48.670 0.919 -28.207 1.00 0.00 H new ATOM 0 HA SER A 8 50.978 1.266 -29.493 1.00 0.00 H new ATOM 0 HB2 SER A 8 52.467 1.408 -27.696 1.00 0.00 H new ATOM 0 HB3 SER A 8 51.558 0.282 -26.707 1.00 0.00 H new ATOM 0 HG SER A 8 52.259 -1.429 -28.097 1.00 0.00 H new ATOM 112 N GLY A 9 49.365 -0.726 -30.155 1.00 0.00 N ATOM 113 CA GLY A 9 48.895 -1.968 -30.739 1.00 0.00 C ATOM 114 C GLY A 9 48.032 -1.741 -31.963 1.00 0.00 C ATOM 115 O GLY A 9 48.356 -2.202 -33.056 1.00 0.00 O ATOM 0 H GLY A 9 48.941 0.117 -30.541 1.00 0.00 H new ATOM 0 HA2 GLY A 9 49.751 -2.585 -31.011 1.00 0.00 H new ATOM 0 HA3 GLY A 9 48.325 -2.524 -29.994 1.00 0.00 H new ATOM 119 N VAL A 10 46.932 -1.024 -31.776 1.00 0.00 N ATOM 120 CA VAL A 10 46.017 -0.728 -32.871 1.00 0.00 C ATOM 121 C VAL A 10 46.538 0.430 -33.713 1.00 0.00 C ATOM 122 O VAL A 10 47.099 1.390 -33.187 1.00 0.00 O ATOM 123 CB VAL A 10 44.610 -0.380 -32.354 1.00 0.00 C ATOM 124 CG1 VAL A 10 43.569 -0.610 -33.440 1.00 0.00 C ATOM 125 CG2 VAL A 10 44.280 -1.193 -31.111 1.00 0.00 C ATOM 0 H VAL A 10 46.651 -0.636 -30.875 1.00 0.00 H new ATOM 0 HA VAL A 10 45.953 -1.627 -33.485 1.00 0.00 H new ATOM 0 HB VAL A 10 44.594 0.676 -32.085 1.00 0.00 H new ATOM 0 HG11 VAL A 10 42.581 -0.359 -33.056 1.00 0.00 H new ATOM 0 HG12 VAL A 10 43.795 0.020 -34.300 1.00 0.00 H new ATOM 0 HG13 VAL A 10 43.585 -1.657 -33.743 1.00 0.00 H new ATOM 0 HG21 VAL A 10 43.281 -0.933 -30.761 1.00 0.00 H new ATOM 0 HG22 VAL A 10 44.315 -2.256 -31.351 1.00 0.00 H new ATOM 0 HG23 VAL A 10 45.007 -0.974 -30.329 1.00 0.00 H new ATOM 135 N VAL A 11 46.353 0.333 -35.026 1.00 0.00 N ATOM 136 CA VAL A 11 46.811 1.374 -35.936 1.00 0.00 C ATOM 137 C VAL A 11 45.639 2.140 -36.539 1.00 0.00 C ATOM 138 O VAL A 11 45.041 1.708 -37.524 1.00 0.00 O ATOM 139 CB VAL A 11 47.664 0.791 -37.077 1.00 0.00 C ATOM 140 CG1 VAL A 11 48.253 1.906 -37.928 1.00 0.00 C ATOM 141 CG2 VAL A 11 48.761 -0.104 -36.521 1.00 0.00 C ATOM 0 H VAL A 11 45.890 -0.454 -35.481 1.00 0.00 H new ATOM 0 HA VAL A 11 47.422 2.056 -35.345 1.00 0.00 H new ATOM 0 HB VAL A 11 47.020 0.183 -37.713 1.00 0.00 H new ATOM 0 HG11 VAL A 11 48.853 1.474 -38.729 1.00 0.00 H new ATOM 0 HG12 VAL A 11 47.447 2.500 -38.358 1.00 0.00 H new ATOM 0 HG13 VAL A 11 48.882 2.544 -37.307 1.00 0.00 H new ATOM 0 HG21 VAL A 11 49.353 -0.507 -37.343 1.00 0.00 H new ATOM 0 HG22 VAL A 11 49.405 0.477 -35.860 1.00 0.00 H new ATOM 0 HG23 VAL A 11 48.312 -0.924 -35.961 1.00 0.00 H new ATOM 151 N TYR A 12 45.324 3.282 -35.943 1.00 0.00 N ATOM 152 CA TYR A 12 44.234 4.120 -36.420 1.00 0.00 C ATOM 153 C TYR A 12 44.658 4.886 -37.671 1.00 0.00 C ATOM 154 O TYR A 12 45.708 4.606 -38.250 1.00 0.00 O ATOM 155 CB TYR A 12 43.804 5.095 -35.325 1.00 0.00 C ATOM 156 CG TYR A 12 43.074 4.434 -34.183 1.00 0.00 C ATOM 157 CD1 TYR A 12 43.134 3.061 -33.991 1.00 0.00 C ATOM 158 CD2 TYR A 12 42.314 5.187 -33.303 1.00 0.00 C ATOM 159 CE1 TYR A 12 42.457 2.455 -32.949 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.633 4.592 -32.257 1.00 0.00 C ATOM 161 CZ TYR A 12 41.707 3.226 -32.086 1.00 0.00 C ATOM 162 OH TYR A 12 41.030 2.628 -31.048 1.00 0.00 O ATOM 0 H TYR A 12 45.810 3.650 -35.125 1.00 0.00 H new ATOM 0 HA TYR A 12 43.389 3.481 -36.675 1.00 0.00 H new ATOM 0 HB2 TYR A 12 44.686 5.604 -34.936 1.00 0.00 H new ATOM 0 HB3 TYR A 12 43.162 5.860 -35.762 1.00 0.00 H new ATOM 0 HD1 TYR A 12 43.719 2.456 -34.667 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.252 6.257 -33.436 1.00 0.00 H new ATOM 0 HE1 TYR A 12 42.515 1.385 -32.812 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.047 5.194 -31.578 1.00 0.00 H new ATOM 0 HH TYR A 12 40.551 3.311 -30.533 1.00 0.00 H new ATOM 172 N SER A 13 43.839 5.847 -38.088 1.00 0.00 N ATOM 173 CA SER A 13 44.144 6.639 -39.273 1.00 0.00 C ATOM 174 C SER A 13 43.737 8.096 -39.088 1.00 0.00 C ATOM 175 O SER A 13 42.814 8.406 -38.333 1.00 0.00 O ATOM 176 CB SER A 13 43.437 6.051 -40.494 1.00 0.00 C ATOM 177 OG SER A 13 44.176 4.975 -41.045 1.00 0.00 O ATOM 0 H SER A 13 42.964 6.095 -37.625 1.00 0.00 H new ATOM 0 HA SER A 13 45.222 6.607 -39.429 1.00 0.00 H new ATOM 0 HB2 SER A 13 42.443 5.705 -40.210 1.00 0.00 H new ATOM 0 HB3 SER A 13 43.302 6.827 -41.248 1.00 0.00 H new ATOM 0 HG SER A 13 44.790 4.620 -40.369 1.00 0.00 H new ATOM 183 N VAL A 14 44.435 8.987 -39.785 1.00 0.00 N ATOM 184 CA VAL A 14 44.155 10.416 -39.707 1.00 0.00 C ATOM 185 C VAL A 14 42.667 10.699 -39.876 1.00 0.00 C ATOM 186 O VAL A 14 42.194 10.956 -40.983 1.00 0.00 O ATOM 187 CB VAL A 14 44.936 11.199 -40.779 1.00 0.00 C ATOM 188 CG1 VAL A 14 44.803 10.526 -42.136 1.00 0.00 C ATOM 189 CG2 VAL A 14 44.456 12.641 -40.843 1.00 0.00 C ATOM 0 H VAL A 14 45.201 8.743 -40.412 1.00 0.00 H new ATOM 0 HA VAL A 14 44.474 10.745 -38.718 1.00 0.00 H new ATOM 0 HB VAL A 14 45.990 11.202 -40.503 1.00 0.00 H new ATOM 0 HG11 VAL A 14 45.362 11.094 -42.880 1.00 0.00 H new ATOM 0 HG12 VAL A 14 45.200 9.512 -42.080 1.00 0.00 H new ATOM 0 HG13 VAL A 14 43.752 10.489 -42.422 1.00 0.00 H new ATOM 0 HG21 VAL A 14 45.019 13.178 -41.606 1.00 0.00 H new ATOM 0 HG22 VAL A 14 43.395 12.661 -41.094 1.00 0.00 H new ATOM 0 HG23 VAL A 14 44.609 13.119 -39.875 1.00 0.00 H new ATOM 199 N GLY A 15 41.934 10.653 -38.770 1.00 0.00 N ATOM 200 CA GLY A 15 40.507 10.907 -38.811 1.00 0.00 C ATOM 201 C GLY A 15 39.698 9.758 -38.245 1.00 0.00 C ATOM 202 O GLY A 15 38.567 9.516 -38.669 1.00 0.00 O ATOM 0 H GLY A 15 42.304 10.444 -37.843 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.286 11.814 -38.249 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.203 11.089 -39.842 1.00 0.00 H new ATOM 206 N MET A 16 40.279 9.048 -37.286 1.00 0.00 N ATOM 207 CA MET A 16 39.608 7.916 -36.658 1.00 0.00 C ATOM 208 C MET A 16 38.560 8.396 -35.661 1.00 0.00 C ATOM 209 O MET A 16 37.494 7.795 -35.528 1.00 0.00 O ATOM 210 CB MET A 16 40.626 7.021 -35.953 1.00 0.00 C ATOM 211 CG MET A 16 40.094 5.637 -35.628 1.00 0.00 C ATOM 212 SD MET A 16 39.577 4.728 -37.096 1.00 0.00 S ATOM 213 CE MET A 16 40.766 3.392 -37.087 1.00 0.00 C ATOM 0 H MET A 16 41.214 9.236 -36.926 1.00 0.00 H new ATOM 0 HA MET A 16 39.109 7.341 -37.438 1.00 0.00 H new ATOM 0 HB2 MET A 16 41.510 6.923 -36.584 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.945 7.505 -35.030 1.00 0.00 H new ATOM 0 HG2 MET A 16 40.865 5.069 -35.107 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.249 5.728 -34.946 1.00 0.00 H new ATOM 0 HE1 MET A 16 40.258 2.451 -37.299 1.00 0.00 H new ATOM 0 HE2 MET A 16 41.524 3.575 -37.848 1.00 0.00 H new ATOM 0 HE3 MET A 16 41.241 3.335 -36.108 1.00 0.00 H new ATOM 223 N GLN A 17 38.873 9.480 -34.961 1.00 0.00 N ATOM 224 CA GLN A 17 37.960 10.040 -33.973 1.00 0.00 C ATOM 225 C GLN A 17 37.342 8.937 -33.123 1.00 0.00 C ATOM 226 O GLN A 17 36.380 8.288 -33.533 1.00 0.00 O ATOM 227 CB GLN A 17 36.861 10.847 -34.663 1.00 0.00 C ATOM 228 CG GLN A 17 36.893 12.328 -34.321 1.00 0.00 C ATOM 229 CD GLN A 17 35.520 12.970 -34.380 1.00 0.00 C ATOM 230 OE1 GLN A 17 35.074 13.412 -35.438 1.00 0.00 O ATOM 231 NE2 GLN A 17 34.844 13.025 -33.238 1.00 0.00 N ATOM 0 H GLN A 17 39.752 9.988 -35.059 1.00 0.00 H new ATOM 0 HA GLN A 17 38.529 10.702 -33.320 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.957 10.729 -35.742 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.890 10.438 -34.383 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.308 12.457 -33.321 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.561 12.842 -35.012 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.253 12.646 -32.384 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.916 13.447 -33.215 1.00 0.00 H new ATOM 240 N TRP A 18 37.902 8.729 -31.938 1.00 0.00 N ATOM 241 CA TRP A 18 37.406 7.702 -31.030 1.00 0.00 C ATOM 242 C TRP A 18 37.219 8.260 -29.624 1.00 0.00 C ATOM 243 O TRP A 18 37.306 9.469 -29.404 1.00 0.00 O ATOM 244 CB TRP A 18 38.363 6.513 -30.993 1.00 0.00 C ATOM 245 CG TRP A 18 39.692 6.836 -30.386 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.080 6.616 -29.095 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.810 7.440 -31.045 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.373 7.040 -28.915 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.843 7.551 -30.097 1.00 0.00 C ATOM 250 CE3 TRP A 18 41.037 7.894 -32.347 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.085 8.100 -30.411 1.00 0.00 C ATOM 252 CZ3 TRP A 18 42.269 8.439 -32.656 1.00 0.00 C ATOM 253 CH2 TRP A 18 43.278 8.536 -31.693 1.00 0.00 C ATOM 0 H TRP A 18 38.699 9.257 -31.583 1.00 0.00 H new ATOM 0 HA TRP A 18 36.437 7.367 -31.401 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.902 5.703 -30.428 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.515 6.147 -32.009 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.461 6.174 -28.329 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.899 6.984 -28.043 1.00 0.00 H new ATOM 0 HE3 TRP A 18 40.264 7.820 -33.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.866 8.178 -29.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.455 8.796 -33.658 1.00 0.00 H new ATOM 0 HH2 TRP A 18 44.231 8.965 -31.967 1.00 0.00 H new ATOM 264 N LEU A 19 36.972 7.370 -28.673 1.00 0.00 N ATOM 265 CA LEU A 19 36.779 7.770 -27.288 1.00 0.00 C ATOM 266 C LEU A 19 37.367 6.734 -26.342 1.00 0.00 C ATOM 267 O LEU A 19 36.979 5.567 -26.360 1.00 0.00 O ATOM 268 CB LEU A 19 35.293 7.973 -26.988 1.00 0.00 C ATOM 269 CG LEU A 19 34.969 8.328 -25.536 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.719 9.822 -25.393 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.764 7.536 -25.051 1.00 0.00 C ATOM 0 H LEU A 19 36.901 6.366 -28.836 1.00 0.00 H new ATOM 0 HA LEU A 19 37.299 8.716 -27.134 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.912 8.765 -27.633 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.757 7.061 -27.252 1.00 0.00 H new ATOM 0 HG LEU A 19 35.827 8.064 -24.918 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.490 10.055 -24.353 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.609 10.371 -25.700 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.878 10.112 -26.023 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.547 7.801 -24.016 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.900 7.769 -25.674 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.980 6.470 -25.115 1.00 0.00 H new ATOM 283 N LYS A 20 38.312 7.171 -25.524 1.00 0.00 N ATOM 284 CA LYS A 20 38.966 6.283 -24.573 1.00 0.00 C ATOM 285 C LYS A 20 38.845 6.822 -23.149 1.00 0.00 C ATOM 286 O LYS A 20 38.007 7.680 -22.871 1.00 0.00 O ATOM 287 CB LYS A 20 40.436 6.096 -24.960 1.00 0.00 C ATOM 288 CG LYS A 20 41.154 7.398 -25.263 1.00 0.00 C ATOM 289 CD LYS A 20 41.808 7.977 -24.022 1.00 0.00 C ATOM 290 CE LYS A 20 43.127 7.288 -23.715 1.00 0.00 C ATOM 291 NZ LYS A 20 44.220 8.267 -23.461 1.00 0.00 N ATOM 0 H LYS A 20 38.644 8.135 -25.499 1.00 0.00 H new ATOM 0 HA LYS A 20 38.468 5.314 -24.604 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.955 5.585 -24.149 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.493 5.447 -25.834 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.911 7.227 -26.028 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.445 8.119 -25.671 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.978 9.044 -24.163 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.134 7.871 -23.172 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.006 6.645 -22.843 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.403 6.644 -24.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.916 7.849 -22.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.686 8.508 -24.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.822 9.129 -23.035 1.00 0.00 H new ATOM 305 N THR A 21 39.677 6.309 -22.249 1.00 0.00 N ATOM 306 CA THR A 21 39.654 6.730 -20.857 1.00 0.00 C ATOM 307 C THR A 21 40.985 7.349 -20.445 1.00 0.00 C ATOM 308 O THR A 21 41.890 7.501 -21.265 1.00 0.00 O ATOM 309 CB THR A 21 39.348 5.544 -19.927 1.00 0.00 C ATOM 310 OG1 THR A 21 39.779 4.321 -20.536 1.00 0.00 O ATOM 311 CG2 THR A 21 37.860 5.461 -19.620 1.00 0.00 C ATOM 0 H THR A 21 40.377 5.599 -22.462 1.00 0.00 H new ATOM 0 HA THR A 21 38.866 7.478 -20.763 1.00 0.00 H new ATOM 0 HB THR A 21 39.887 5.699 -18.993 1.00 0.00 H new ATOM 0 HG1 THR A 21 39.582 3.570 -19.937 1.00 0.00 H new ATOM 0 HG21 THR A 21 37.671 4.614 -18.961 1.00 0.00 H new ATOM 0 HG22 THR A 21 37.538 6.380 -19.131 1.00 0.00 H new ATOM 0 HG23 THR A 21 37.304 5.329 -20.548 1.00 0.00 H new ATOM 319 N GLN A 22 41.098 7.704 -19.170 1.00 0.00 N ATOM 320 CA GLN A 22 42.321 8.305 -18.654 1.00 0.00 C ATOM 321 C GLN A 22 42.785 7.599 -17.385 1.00 0.00 C ATOM 322 O GLN A 22 43.701 8.062 -16.705 1.00 0.00 O ATOM 323 CB GLN A 22 42.103 9.793 -18.380 1.00 0.00 C ATOM 324 CG GLN A 22 41.968 10.626 -19.645 1.00 0.00 C ATOM 325 CD GLN A 22 43.308 11.091 -20.180 1.00 0.00 C ATOM 326 OE1 GLN A 22 43.627 12.361 -19.958 1.00 0.00 O flip ATOM 327 NE2 GLN A 22 44.049 10.318 -20.787 1.00 0.00 N flip ATOM 0 H GLN A 22 40.359 7.586 -18.477 1.00 0.00 H new ATOM 0 HA GLN A 22 43.099 8.193 -19.409 1.00 0.00 H new ATOM 0 HB2 GLN A 22 41.204 9.916 -17.775 1.00 0.00 H new ATOM 0 HB3 GLN A 22 42.938 10.173 -17.791 1.00 0.00 H new ATOM 0 HG2 GLN A 22 41.459 10.039 -20.410 1.00 0.00 H new ATOM 0 HG3 GLN A 22 41.342 11.494 -19.439 1.00 0.00 H new ATOM 0 HE21 GLN A 22 43.765 9.350 -20.935 1.00 0.00 H new ATOM 0 HE22 GLN A 22 44.948 10.646 -21.142 1.00 0.00 H new ATOM 336 N GLY A 23 42.152 6.472 -17.074 1.00 0.00 N ATOM 337 CA GLY A 23 42.520 5.720 -15.890 1.00 0.00 C ATOM 338 C GLY A 23 41.385 5.597 -14.894 1.00 0.00 C ATOM 339 O GLY A 23 41.183 4.536 -14.302 1.00 0.00 O ATOM 0 H GLY A 23 41.392 6.067 -17.621 1.00 0.00 H new ATOM 0 HA2 GLY A 23 42.847 4.723 -16.186 1.00 0.00 H new ATOM 0 HA3 GLY A 23 43.369 6.204 -15.408 1.00 0.00 H new ATOM 343 N ASN A 24 40.648 6.683 -14.701 1.00 0.00 N ATOM 344 CA ASN A 24 39.531 6.689 -13.761 1.00 0.00 C ATOM 345 C ASN A 24 38.351 7.495 -14.296 1.00 0.00 C ATOM 346 O ASN A 24 37.378 7.732 -13.580 1.00 0.00 O ATOM 347 CB ASN A 24 39.981 7.262 -12.416 1.00 0.00 C ATOM 348 CG ASN A 24 40.642 6.220 -11.535 1.00 0.00 C ATOM 349 OD1 ASN A 24 40.004 5.258 -11.107 1.00 0.00 O ATOM 350 ND2 ASN A 24 41.928 6.407 -11.260 1.00 0.00 N ATOM 0 H ASN A 24 40.802 7.570 -15.181 1.00 0.00 H new ATOM 0 HA ASN A 24 39.203 5.658 -13.629 1.00 0.00 H new ATOM 0 HB2 ASN A 24 40.678 8.082 -12.589 1.00 0.00 H new ATOM 0 HB3 ASN A 24 39.119 7.680 -11.896 1.00 0.00 H new ATOM 0 HD21 ASN A 24 42.426 5.739 -10.672 1.00 0.00 H new ATOM 0 HD22 ASN A 24 42.417 7.219 -11.636 1.00 0.00 H new ATOM 357 N LYS A 25 38.437 7.914 -15.554 1.00 0.00 N ATOM 358 CA LYS A 25 37.368 8.693 -16.170 1.00 0.00 C ATOM 359 C LYS A 25 37.295 8.437 -17.673 1.00 0.00 C ATOM 360 O LYS A 25 38.020 7.599 -18.206 1.00 0.00 O ATOM 361 CB LYS A 25 37.578 10.186 -15.906 1.00 0.00 C ATOM 362 CG LYS A 25 38.983 10.667 -16.225 1.00 0.00 C ATOM 363 CD LYS A 25 39.911 10.507 -15.031 1.00 0.00 C ATOM 364 CE LYS A 25 39.931 11.760 -14.171 1.00 0.00 C ATOM 365 NZ LYS A 25 41.171 11.851 -13.351 1.00 0.00 N ATOM 0 H LYS A 25 39.232 7.728 -16.165 1.00 0.00 H new ATOM 0 HA LYS A 25 36.425 8.379 -15.723 1.00 0.00 H new ATOM 0 HB2 LYS A 25 36.864 10.756 -16.501 1.00 0.00 H new ATOM 0 HB3 LYS A 25 37.360 10.396 -14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 25 39.378 10.105 -17.072 1.00 0.00 H new ATOM 0 HG3 LYS A 25 38.951 11.715 -16.525 1.00 0.00 H new ATOM 0 HD2 LYS A 25 39.589 9.657 -14.430 1.00 0.00 H new ATOM 0 HD3 LYS A 25 40.920 10.287 -15.380 1.00 0.00 H new ATOM 0 HE2 LYS A 25 39.853 12.640 -14.810 1.00 0.00 H new ATOM 0 HE3 LYS A 25 39.061 11.764 -13.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 41.146 12.719 -12.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 41.233 11.024 -12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 42.001 11.873 -13.978 1.00 0.00 H new ATOM 379 N GLN A 26 36.413 9.169 -18.348 1.00 0.00 N ATOM 380 CA GLN A 26 36.240 9.027 -19.789 1.00 0.00 C ATOM 381 C GLN A 26 36.884 10.197 -20.527 1.00 0.00 C ATOM 382 O GLN A 26 36.926 11.316 -20.017 1.00 0.00 O ATOM 383 CB GLN A 26 34.753 8.944 -20.139 1.00 0.00 C ATOM 384 CG GLN A 26 34.202 7.527 -20.125 1.00 0.00 C ATOM 385 CD GLN A 26 32.687 7.491 -20.147 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.031 8.516 -20.331 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.121 6.304 -19.960 1.00 0.00 N ATOM 0 H GLN A 26 35.806 9.867 -17.918 1.00 0.00 H new ATOM 0 HA GLN A 26 36.731 8.106 -20.103 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.188 9.552 -19.432 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.596 9.376 -21.127 1.00 0.00 H new ATOM 0 HG2 GLN A 26 34.587 6.983 -20.987 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.561 7.010 -19.235 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.703 5.479 -19.811 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.105 6.217 -19.966 1.00 0.00 H new ATOM 396 N MET A 27 37.388 9.931 -21.727 1.00 0.00 N ATOM 397 CA MET A 27 38.033 10.963 -22.528 1.00 0.00 C ATOM 398 C MET A 27 37.943 10.631 -24.014 1.00 0.00 C ATOM 399 O MET A 27 38.324 9.540 -24.439 1.00 0.00 O ATOM 400 CB MET A 27 39.498 11.101 -22.109 1.00 0.00 C ATOM 401 CG MET A 27 40.179 12.341 -22.660 1.00 0.00 C ATOM 402 SD MET A 27 41.974 12.179 -22.716 1.00 0.00 S ATOM 403 CE MET A 27 42.480 13.815 -22.189 1.00 0.00 C ATOM 0 H MET A 27 37.362 9.010 -22.165 1.00 0.00 H new ATOM 0 HA MET A 27 37.518 11.908 -22.358 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.555 11.120 -21.021 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.046 10.219 -22.441 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.804 12.541 -23.664 1.00 0.00 H new ATOM 0 HG3 MET A 27 39.914 13.200 -22.044 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.551 13.817 -21.985 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.260 14.535 -22.977 1.00 0.00 H new ATOM 0 HE3 MET A 27 41.938 14.090 -21.284 1.00 0.00 H new ATOM 413 N LEU A 28 37.442 11.577 -24.804 1.00 0.00 N ATOM 414 CA LEU A 28 37.315 11.371 -26.243 1.00 0.00 C ATOM 415 C LEU A 28 38.635 11.667 -26.941 1.00 0.00 C ATOM 416 O LEU A 28 39.131 12.790 -26.887 1.00 0.00 O ATOM 417 CB LEU A 28 36.212 12.252 -26.830 1.00 0.00 C ATOM 418 CG LEU A 28 36.148 12.251 -28.359 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.906 11.523 -28.848 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.175 13.674 -28.896 1.00 0.00 C ATOM 0 H LEU A 28 37.120 12.487 -24.475 1.00 0.00 H new ATOM 0 HA LEU A 28 37.049 10.327 -26.407 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.251 11.919 -26.438 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.359 13.276 -26.485 1.00 0.00 H new ATOM 0 HG LEU A 28 37.024 11.722 -28.734 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.882 11.535 -29.938 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.927 10.491 -28.497 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.017 12.020 -28.460 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.129 13.653 -29.985 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.319 14.226 -28.507 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.096 14.164 -28.581 1.00 0.00 H new ATOM 432 N CYS A 29 39.204 10.656 -27.589 1.00 0.00 N ATOM 433 CA CYS A 29 40.476 10.818 -28.286 1.00 0.00 C ATOM 434 C CYS A 29 40.280 10.875 -29.797 1.00 0.00 C ATOM 435 O CYS A 29 39.454 10.152 -30.355 1.00 0.00 O ATOM 436 CB CYS A 29 41.422 9.669 -27.930 1.00 0.00 C ATOM 437 SG CYS A 29 42.484 9.992 -26.483 1.00 0.00 S ATOM 0 H CYS A 29 38.807 9.718 -27.646 1.00 0.00 H new ATOM 0 HA CYS A 29 40.914 11.763 -27.964 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.831 8.773 -27.740 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.056 9.456 -28.791 1.00 0.00 H new ATOM 442 N THR A 30 41.051 11.737 -30.455 1.00 0.00 N ATOM 443 CA THR A 30 40.968 11.884 -31.904 1.00 0.00 C ATOM 444 C THR A 30 42.328 12.204 -32.505 1.00 0.00 C ATOM 445 O THR A 30 43.111 12.960 -31.931 1.00 0.00 O ATOM 446 CB THR A 30 39.985 12.996 -32.313 1.00 0.00 C ATOM 447 OG1 THR A 30 38.684 12.724 -31.780 1.00 0.00 O ATOM 448 CG2 THR A 30 39.907 13.112 -33.831 1.00 0.00 C ATOM 0 H THR A 30 41.739 12.343 -30.008 1.00 0.00 H new ATOM 0 HA THR A 30 40.609 10.928 -32.286 1.00 0.00 H new ATOM 0 HB THR A 30 40.348 13.941 -31.909 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.217 13.569 -31.610 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.207 13.903 -34.100 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.894 13.349 -34.229 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.564 12.166 -34.251 1.00 0.00 H new ATOM 456 N CYS A 31 42.599 11.633 -33.672 1.00 0.00 N ATOM 457 CA CYS A 31 43.860 11.870 -34.356 1.00 0.00 C ATOM 458 C CYS A 31 43.650 12.779 -35.559 1.00 0.00 C ATOM 459 O CYS A 31 43.081 12.370 -36.572 1.00 0.00 O ATOM 460 CB CYS A 31 44.490 10.550 -34.794 1.00 0.00 C ATOM 461 SG CYS A 31 43.424 9.521 -35.851 1.00 0.00 S ATOM 0 H CYS A 31 41.963 11.004 -34.162 1.00 0.00 H new ATOM 0 HA CYS A 31 44.539 12.363 -33.661 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.415 10.763 -35.330 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.761 9.979 -33.906 1.00 0.00 H new ATOM 466 N LEU A 32 44.105 14.019 -35.435 1.00 0.00 N ATOM 467 CA LEU A 32 43.962 14.999 -36.505 1.00 0.00 C ATOM 468 C LEU A 32 45.024 14.793 -37.583 1.00 0.00 C ATOM 469 O LEU A 32 44.841 13.991 -38.499 1.00 0.00 O ATOM 470 CB LEU A 32 44.050 16.422 -35.945 1.00 0.00 C ATOM 471 CG LEU A 32 44.867 16.568 -34.659 1.00 0.00 C ATOM 472 CD1 LEU A 32 45.601 17.898 -34.636 1.00 0.00 C ATOM 473 CD2 LEU A 32 43.967 16.432 -33.440 1.00 0.00 C ATOM 0 H LEU A 32 44.577 14.371 -34.602 1.00 0.00 H new ATOM 0 HA LEU A 32 42.981 14.858 -36.959 1.00 0.00 H new ATOM 0 HB2 LEU A 32 44.484 17.069 -36.707 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.039 16.784 -35.757 1.00 0.00 H new ATOM 0 HG LEU A 32 45.609 15.770 -34.631 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.175 17.981 -33.713 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.276 17.956 -35.490 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.879 18.713 -34.688 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.563 16.538 -32.534 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.202 17.208 -33.464 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.490 15.452 -33.448 1.00 0.00 H new ATOM 485 N GLY A 33 46.131 15.521 -37.472 1.00 0.00 N ATOM 486 CA GLY A 33 47.197 15.398 -38.450 1.00 0.00 C ATOM 487 C GLY A 33 48.576 15.491 -37.830 1.00 0.00 C ATOM 488 O GLY A 33 49.468 14.713 -38.167 1.00 0.00 O ATOM 0 H GLY A 33 46.309 16.192 -36.725 1.00 0.00 H new ATOM 0 HA2 GLY A 33 47.100 14.444 -38.968 1.00 0.00 H new ATOM 0 HA3 GLY A 33 47.087 16.181 -39.200 1.00 0.00 H new ATOM 492 N ASN A 34 48.751 16.443 -36.922 1.00 0.00 N ATOM 493 CA ASN A 34 50.034 16.631 -36.257 1.00 0.00 C ATOM 494 C ASN A 34 50.248 15.566 -35.187 1.00 0.00 C ATOM 495 O ASN A 34 51.382 15.199 -34.882 1.00 0.00 O ATOM 496 CB ASN A 34 50.115 18.030 -35.637 1.00 0.00 C ATOM 497 CG ASN A 34 49.480 18.098 -34.262 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.348 18.555 -34.109 1.00 0.00 O ATOM 499 ND2 ASN A 34 50.212 17.642 -33.252 1.00 0.00 N ATOM 0 H ASN A 34 48.023 17.095 -36.630 1.00 0.00 H new ATOM 0 HA ASN A 34 50.823 16.533 -37.003 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.160 18.331 -35.565 1.00 0.00 H new ATOM 0 HB3 ASN A 34 49.622 18.744 -36.296 1.00 0.00 H new ATOM 0 HD21 ASN A 34 49.840 17.662 -32.303 1.00 0.00 H new ATOM 0 HD22 ASN A 34 51.146 17.272 -33.426 1.00 0.00 H new ATOM 506 N GLY A 35 49.151 15.071 -34.626 1.00 0.00 N ATOM 507 CA GLY A 35 49.239 14.050 -33.602 1.00 0.00 C ATOM 508 C GLY A 35 47.883 13.478 -33.233 1.00 0.00 C ATOM 509 O GLY A 35 47.092 13.127 -34.108 1.00 0.00 O ATOM 0 H GLY A 35 48.202 15.360 -34.863 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.886 13.245 -33.951 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.706 14.472 -32.712 1.00 0.00 H new ATOM 513 N VAL A 36 47.615 13.389 -31.936 1.00 0.00 N ATOM 514 CA VAL A 36 46.346 12.860 -31.450 1.00 0.00 C ATOM 515 C VAL A 36 45.907 13.592 -30.185 1.00 0.00 C ATOM 516 O VAL A 36 46.568 13.516 -29.149 1.00 0.00 O ATOM 517 CB VAL A 36 46.434 11.346 -31.163 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.252 10.885 -30.320 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.505 10.559 -32.461 1.00 0.00 C ATOM 0 H VAL A 36 48.260 13.677 -31.200 1.00 0.00 H new ATOM 0 HA VAL A 36 45.608 13.020 -32.236 1.00 0.00 H new ATOM 0 HB VAL A 36 47.347 11.160 -30.598 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.336 9.815 -30.131 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.250 11.422 -29.372 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.323 11.087 -30.854 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.567 9.494 -32.238 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.612 10.754 -33.054 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.388 10.863 -33.023 1.00 0.00 H new ATOM 529 N SER A 37 44.787 14.301 -30.279 1.00 0.00 N ATOM 530 CA SER A 37 44.259 15.049 -29.146 1.00 0.00 C ATOM 531 C SER A 37 42.984 14.400 -28.621 1.00 0.00 C ATOM 532 O SER A 37 42.342 13.617 -29.320 1.00 0.00 O ATOM 533 CB SER A 37 43.980 16.498 -29.549 1.00 0.00 C ATOM 534 OG SER A 37 43.278 17.185 -28.528 1.00 0.00 O ATOM 0 H SER A 37 44.228 14.373 -31.129 1.00 0.00 H new ATOM 0 HA SER A 37 45.007 15.040 -28.353 1.00 0.00 H new ATOM 0 HB2 SER A 37 44.920 17.009 -29.755 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.398 16.517 -30.471 1.00 0.00 H new ATOM 0 HG SER A 37 43.113 18.109 -28.809 1.00 0.00 H new ATOM 540 N CYS A 38 42.623 14.727 -27.385 1.00 0.00 N ATOM 541 CA CYS A 38 41.424 14.167 -26.774 1.00 0.00 C ATOM 542 C CYS A 38 40.753 15.180 -25.850 1.00 0.00 C ATOM 543 O CYS A 38 41.202 16.320 -25.732 1.00 0.00 O ATOM 544 CB CYS A 38 41.774 12.898 -25.997 1.00 0.00 C ATOM 545 SG CYS A 38 43.104 11.907 -26.750 1.00 0.00 S ATOM 0 H CYS A 38 43.141 15.373 -26.790 1.00 0.00 H new ATOM 0 HA CYS A 38 40.722 13.918 -27.570 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.070 13.175 -24.985 1.00 0.00 H new ATOM 0 HB3 CYS A 38 40.880 12.280 -25.910 1.00 0.00 H new ATOM 550 N GLN A 39 39.674 14.755 -25.197 1.00 0.00 N ATOM 551 CA GLN A 39 38.939 15.628 -24.286 1.00 0.00 C ATOM 552 C GLN A 39 38.719 14.954 -22.934 1.00 0.00 C ATOM 553 O GLN A 39 38.096 13.894 -22.851 1.00 0.00 O ATOM 554 CB GLN A 39 37.592 16.019 -24.896 1.00 0.00 C ATOM 555 CG GLN A 39 37.521 17.473 -25.333 1.00 0.00 C ATOM 556 CD GLN A 39 36.150 18.082 -25.112 1.00 0.00 C ATOM 557 OE1 GLN A 39 35.956 18.892 -24.205 1.00 0.00 O ATOM 558 NE2 GLN A 39 35.189 17.695 -25.945 1.00 0.00 N ATOM 0 H GLN A 39 39.290 13.814 -25.282 1.00 0.00 H new ATOM 0 HA GLN A 39 39.536 16.526 -24.129 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.393 15.380 -25.756 1.00 0.00 H new ATOM 0 HB3 GLN A 39 36.804 15.828 -24.168 1.00 0.00 H new ATOM 0 HG2 GLN A 39 38.264 18.051 -24.783 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.780 17.544 -26.389 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.394 17.021 -26.683 1.00 0.00 H new ATOM 0 HE22 GLN A 39 34.246 18.072 -25.846 1.00 0.00 H new ATOM 567 N GLU A 40 39.234 15.581 -21.879 1.00 0.00 N ATOM 568 CA GLU A 40 39.099 15.055 -20.523 1.00 0.00 C ATOM 569 C GLU A 40 37.633 14.990 -20.111 1.00 0.00 C ATOM 570 O GLU A 40 37.120 15.906 -19.469 1.00 0.00 O ATOM 571 CB GLU A 40 39.876 15.926 -19.536 1.00 0.00 C ATOM 572 CG GLU A 40 41.024 15.198 -18.853 1.00 0.00 C ATOM 573 CD GLU A 40 40.549 14.217 -17.798 1.00 0.00 C ATOM 574 OE1 GLU A 40 39.557 13.503 -18.055 1.00 0.00 O ATOM 575 OE2 GLU A 40 41.168 14.164 -16.716 1.00 0.00 O ATOM 0 H GLU A 40 39.751 16.458 -21.938 1.00 0.00 H new ATOM 0 HA GLU A 40 39.510 14.045 -20.509 1.00 0.00 H new ATOM 0 HB2 GLU A 40 40.270 16.795 -20.063 1.00 0.00 H new ATOM 0 HB3 GLU A 40 39.190 16.299 -18.776 1.00 0.00 H new ATOM 0 HG2 GLU A 40 41.608 14.664 -19.603 1.00 0.00 H new ATOM 0 HG3 GLU A 40 41.689 15.928 -18.391 1.00 0.00 H new ATOM 582 N THR A 41 36.964 13.901 -20.492 1.00 0.00 N ATOM 583 CA THR A 41 35.553 13.704 -20.168 1.00 0.00 C ATOM 584 C THR A 41 34.649 14.617 -21.003 1.00 0.00 C ATOM 585 O THR A 41 33.423 14.522 -20.929 1.00 0.00 O ATOM 586 CB THR A 41 35.291 13.938 -18.659 1.00 0.00 C ATOM 587 OG1 THR A 41 35.455 12.710 -17.941 1.00 0.00 O ATOM 588 CG2 THR A 41 33.893 14.490 -18.401 1.00 0.00 C ATOM 0 H THR A 41 37.380 13.139 -21.028 1.00 0.00 H new ATOM 0 HA THR A 41 35.311 12.670 -20.411 1.00 0.00 H new ATOM 0 HB THR A 41 36.014 14.676 -18.313 1.00 0.00 H new ATOM 0 HG1 THR A 41 35.950 12.071 -18.495 1.00 0.00 H new ATOM 0 HG21 THR A 41 33.752 14.639 -17.330 1.00 0.00 H new ATOM 0 HG22 THR A 41 33.777 15.442 -18.918 1.00 0.00 H new ATOM 0 HG23 THR A 41 33.149 13.784 -18.770 1.00 0.00 H new ATOM 596 N ALA A 42 35.252 15.500 -21.787 1.00 0.00 N ATOM 597 CA ALA A 42 34.490 16.422 -22.617 1.00 0.00 C ATOM 598 C ALA A 42 33.403 17.112 -21.802 1.00 0.00 C ATOM 599 O ALA A 42 32.265 16.647 -21.743 1.00 0.00 O ATOM 600 CB ALA A 42 33.880 15.693 -23.800 1.00 0.00 C ATOM 0 H ALA A 42 36.264 15.597 -21.866 1.00 0.00 H new ATOM 0 HA ALA A 42 35.173 17.184 -22.992 1.00 0.00 H new ATOM 0 HB1 ALA A 42 33.314 16.398 -24.409 1.00 0.00 H new ATOM 0 HB2 ALA A 42 34.673 15.248 -24.402 1.00 0.00 H new ATOM 0 HB3 ALA A 42 33.214 14.909 -23.440 1.00 0.00 H new ATOM 606 N VAL A 43 33.766 18.220 -21.175 1.00 0.00 N ATOM 607 CA VAL A 43 32.828 18.979 -20.358 1.00 0.00 C ATOM 608 C VAL A 43 31.596 19.378 -21.164 1.00 0.00 C ATOM 609 O VAL A 43 31.408 18.922 -22.291 1.00 0.00 O ATOM 610 CB VAL A 43 33.485 20.246 -19.779 1.00 0.00 C ATOM 611 CG1 VAL A 43 34.645 19.877 -18.869 1.00 0.00 C ATOM 612 CG2 VAL A 43 33.948 21.168 -20.895 1.00 0.00 C ATOM 0 H VAL A 43 34.705 18.616 -21.216 1.00 0.00 H new ATOM 0 HA VAL A 43 32.525 18.330 -19.536 1.00 0.00 H new ATOM 0 HB VAL A 43 32.741 20.778 -19.186 1.00 0.00 H new ATOM 0 HG11 VAL A 43 35.097 20.785 -18.469 1.00 0.00 H new ATOM 0 HG12 VAL A 43 34.281 19.261 -18.047 1.00 0.00 H new ATOM 0 HG13 VAL A 43 35.390 19.321 -19.437 1.00 0.00 H new ATOM 0 HG21 VAL A 43 34.409 22.057 -20.465 1.00 0.00 H new ATOM 0 HG22 VAL A 43 34.675 20.648 -21.519 1.00 0.00 H new ATOM 0 HG23 VAL A 43 33.092 21.461 -21.503 1.00 0.00 H new ATOM 622 N THR A 44 30.757 20.228 -20.580 1.00 0.00 N ATOM 623 CA THR A 44 29.544 20.682 -21.249 1.00 0.00 C ATOM 624 C THR A 44 28.777 21.682 -20.388 1.00 0.00 C ATOM 625 O THR A 44 28.435 21.395 -19.241 1.00 0.00 O ATOM 626 CB THR A 44 28.617 19.498 -21.585 1.00 0.00 C ATOM 627 OG1 THR A 44 28.971 18.359 -20.789 1.00 0.00 O ATOM 628 CG2 THR A 44 28.710 19.139 -23.060 1.00 0.00 C ATOM 0 H THR A 44 30.895 20.615 -19.647 1.00 0.00 H new ATOM 0 HA THR A 44 29.856 21.169 -22.173 1.00 0.00 H new ATOM 0 HB THR A 44 27.591 19.793 -21.363 1.00 0.00 H new ATOM 0 HG1 THR A 44 28.377 17.611 -21.006 1.00 0.00 H new ATOM 0 HG21 THR A 44 28.047 18.301 -23.273 1.00 0.00 H new ATOM 0 HG22 THR A 44 28.414 19.998 -23.663 1.00 0.00 H new ATOM 0 HG23 THR A 44 29.736 18.861 -23.303 1.00 0.00 H new ATOM 636 N GLN A 45 28.507 22.855 -20.953 1.00 0.00 N ATOM 637 CA GLN A 45 27.776 23.897 -20.241 1.00 0.00 C ATOM 638 C GLN A 45 26.374 24.060 -20.820 1.00 0.00 C ATOM 639 O GLN A 45 26.106 24.997 -21.573 1.00 0.00 O ATOM 640 CB GLN A 45 28.533 25.226 -20.317 1.00 0.00 C ATOM 641 CG GLN A 45 30.029 25.086 -20.090 1.00 0.00 C ATOM 642 CD GLN A 45 30.362 24.632 -18.683 1.00 0.00 C ATOM 643 OE1 GLN A 45 29.730 23.722 -18.147 1.00 0.00 O ATOM 644 NE2 GLN A 45 31.357 25.267 -18.075 1.00 0.00 N ATOM 0 H GLN A 45 28.784 23.107 -21.902 1.00 0.00 H new ATOM 0 HA GLN A 45 27.689 23.600 -19.196 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.363 25.677 -21.295 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.124 25.911 -19.575 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.436 24.371 -20.805 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.514 26.043 -20.284 1.00 0.00 H new ATOM 0 HE21 GLN A 45 31.854 26.016 -18.557 1.00 0.00 H new ATOM 0 HE22 GLN A 45 31.624 25.006 -17.126 1.00 0.00 H new ATOM 653 N THR A 46 25.485 23.135 -20.472 1.00 0.00 N ATOM 654 CA THR A 46 24.113 23.170 -20.965 1.00 0.00 C ATOM 655 C THR A 46 23.294 24.250 -20.269 1.00 0.00 C ATOM 656 O THR A 46 23.328 24.381 -19.046 1.00 0.00 O ATOM 657 CB THR A 46 23.414 21.811 -20.779 1.00 0.00 C ATOM 658 OG1 THR A 46 23.440 21.429 -19.400 1.00 0.00 O ATOM 659 CG2 THR A 46 24.087 20.737 -21.622 1.00 0.00 C ATOM 0 H THR A 46 25.690 22.352 -19.851 1.00 0.00 H new ATOM 0 HA THR A 46 24.172 23.400 -22.029 1.00 0.00 H new ATOM 0 HB THR A 46 22.379 21.913 -21.106 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.075 20.525 -19.304 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.576 19.785 -21.474 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.037 21.016 -22.674 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.130 20.639 -21.322 1.00 0.00 H new ATOM 667 N TYR A 47 22.555 25.019 -21.062 1.00 0.00 N ATOM 668 CA TYR A 47 21.719 26.091 -20.535 1.00 0.00 C ATOM 669 C TYR A 47 20.356 26.101 -21.221 1.00 0.00 C ATOM 670 O TYR A 47 20.255 25.865 -22.425 1.00 0.00 O ATOM 671 CB TYR A 47 22.409 27.441 -20.731 1.00 0.00 C ATOM 672 CG TYR A 47 22.698 27.763 -22.179 1.00 0.00 C ATOM 673 CD1 TYR A 47 21.688 28.198 -23.026 1.00 0.00 C ATOM 674 CD2 TYR A 47 23.979 27.628 -22.699 1.00 0.00 C ATOM 675 CE1 TYR A 47 21.945 28.491 -24.352 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.245 27.919 -24.024 1.00 0.00 C ATOM 677 CZ TYR A 47 23.225 28.350 -24.846 1.00 0.00 C ATOM 678 OH TYR A 47 23.485 28.640 -26.165 1.00 0.00 O ATOM 0 H TYR A 47 22.518 24.919 -22.076 1.00 0.00 H new ATOM 0 HA TYR A 47 21.570 25.916 -19.470 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.781 28.226 -20.310 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.344 27.447 -20.171 1.00 0.00 H new ATOM 0 HD1 TYR A 47 20.685 28.309 -22.642 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.780 27.290 -22.058 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.148 28.829 -24.998 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.246 27.809 -24.413 1.00 0.00 H new ATOM 0 HH TYR A 47 24.435 28.489 -26.352 1.00 0.00 H new ATOM 688 N GLY A 48 19.310 26.375 -20.449 1.00 0.00 N ATOM 689 CA GLY A 48 17.969 26.409 -21.003 1.00 0.00 C ATOM 690 C GLY A 48 17.711 25.264 -21.962 1.00 0.00 C ATOM 691 O GLY A 48 18.091 24.124 -21.695 1.00 0.00 O ATOM 0 H GLY A 48 19.367 26.574 -19.450 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.242 26.370 -20.191 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.817 27.355 -21.522 1.00 0.00 H new ATOM 695 N GLY A 49 17.063 25.567 -23.082 1.00 0.00 N ATOM 696 CA GLY A 49 16.765 24.541 -24.066 1.00 0.00 C ATOM 697 C GLY A 49 15.538 23.729 -23.702 1.00 0.00 C ATOM 698 O GLY A 49 14.464 24.284 -23.476 1.00 0.00 O ATOM 0 H GLY A 49 16.739 26.503 -23.326 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.612 25.008 -25.039 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.622 23.875 -24.163 1.00 0.00 H new ATOM 702 N ASN A 50 15.700 22.412 -23.643 1.00 0.00 N ATOM 703 CA ASN A 50 14.596 21.522 -23.303 1.00 0.00 C ATOM 704 C ASN A 50 14.842 20.840 -21.960 1.00 0.00 C ATOM 705 O ASN A 50 13.934 20.243 -21.381 1.00 0.00 O ATOM 706 CB ASN A 50 14.405 20.470 -24.396 1.00 0.00 C ATOM 707 CG ASN A 50 12.959 20.037 -24.536 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.411 19.370 -23.659 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.333 20.417 -25.645 1.00 0.00 N ATOM 0 H ASN A 50 16.584 21.937 -23.826 1.00 0.00 H new ATOM 0 HA ASN A 50 13.689 22.122 -23.225 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.755 20.871 -25.347 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.022 19.600 -24.171 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.359 20.156 -25.795 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.827 20.970 -26.346 1.00 0.00 H new ATOM 716 N SER A 51 16.073 20.934 -21.472 1.00 0.00 N ATOM 717 CA SER A 51 16.439 20.328 -20.197 1.00 0.00 C ATOM 718 C SER A 51 16.836 21.393 -19.180 1.00 0.00 C ATOM 719 O SER A 51 17.324 21.077 -18.093 1.00 0.00 O ATOM 720 CB SER A 51 17.590 19.337 -20.391 1.00 0.00 C ATOM 721 OG SER A 51 17.625 18.852 -21.722 1.00 0.00 O ATOM 0 H SER A 51 16.835 21.424 -21.940 1.00 0.00 H new ATOM 0 HA SER A 51 15.569 19.794 -19.815 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.536 19.822 -20.152 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.476 18.502 -19.699 1.00 0.00 H new ATOM 0 HG SER A 51 17.899 19.574 -22.326 1.00 0.00 H new ATOM 727 N ASN A 52 16.623 22.656 -19.536 1.00 0.00 N ATOM 728 CA ASN A 52 16.957 23.767 -18.652 1.00 0.00 C ATOM 729 C ASN A 52 18.406 23.679 -18.186 1.00 0.00 C ATOM 730 O ASN A 52 18.774 24.244 -17.157 1.00 0.00 O ATOM 731 CB ASN A 52 16.021 23.780 -17.442 1.00 0.00 C ATOM 732 CG ASN A 52 16.365 24.881 -16.456 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.760 26.038 -16.976 1.00 0.00 O flip ATOM 734 ND2 ASN A 52 16.279 24.692 -15.243 1.00 0.00 N flip ATOM 0 H ASN A 52 16.221 22.935 -20.431 1.00 0.00 H new ATOM 0 HA ASN A 52 16.832 24.693 -19.212 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.994 23.909 -17.782 1.00 0.00 H new ATOM 0 HB3 ASN A 52 16.071 22.815 -16.937 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.971 23.787 -14.889 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.516 25.441 -14.592 1.00 0.00 H new ATOM 741 N GLY A 53 19.227 22.964 -18.950 1.00 0.00 N ATOM 742 CA GLY A 53 20.626 22.815 -18.597 1.00 0.00 C ATOM 743 C GLY A 53 20.862 21.664 -17.639 1.00 0.00 C ATOM 744 O GLY A 53 21.312 21.868 -16.512 1.00 0.00 O ATOM 0 H GLY A 53 18.948 22.486 -19.807 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.211 22.656 -19.503 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.984 23.740 -18.144 1.00 0.00 H new ATOM 748 N GLU A 54 20.555 20.452 -18.087 1.00 0.00 N ATOM 749 CA GLU A 54 20.734 19.263 -17.263 1.00 0.00 C ATOM 750 C GLU A 54 21.869 18.395 -17.798 1.00 0.00 C ATOM 751 O GLU A 54 22.313 18.568 -18.933 1.00 0.00 O ATOM 752 CB GLU A 54 19.435 18.455 -17.214 1.00 0.00 C ATOM 753 CG GLU A 54 18.458 18.934 -16.153 1.00 0.00 C ATOM 754 CD GLU A 54 19.145 19.361 -14.870 1.00 0.00 C ATOM 755 OE1 GLU A 54 19.639 20.507 -14.815 1.00 0.00 O ATOM 756 OE2 GLU A 54 19.189 18.550 -13.922 1.00 0.00 O ATOM 0 H GLU A 54 20.180 20.267 -19.018 1.00 0.00 H new ATOM 0 HA GLU A 54 20.994 19.584 -16.254 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.951 18.503 -18.189 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.675 17.408 -17.028 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.882 19.771 -16.547 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.749 18.136 -15.932 1.00 0.00 H new ATOM 763 N PRO A 55 22.355 17.447 -16.982 1.00 0.00 N ATOM 764 CA PRO A 55 23.444 16.546 -17.371 1.00 0.00 C ATOM 765 C PRO A 55 23.160 15.833 -18.689 1.00 0.00 C ATOM 766 O PRO A 55 22.093 15.248 -18.873 1.00 0.00 O ATOM 767 CB PRO A 55 23.517 15.533 -16.217 1.00 0.00 C ATOM 768 CG PRO A 55 22.267 15.737 -15.424 1.00 0.00 C ATOM 769 CD PRO A 55 21.883 17.174 -15.620 1.00 0.00 C ATOM 0 HA PRO A 55 24.376 17.087 -17.532 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.580 14.512 -16.595 1.00 0.00 H new ATOM 0 HB3 PRO A 55 24.402 15.701 -15.604 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.475 15.071 -15.766 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.434 15.518 -14.369 1.00 0.00 H new ATOM 0 HD2 PRO A 55 20.807 17.323 -15.526 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.360 17.825 -14.887 1.00 0.00 H new ATOM 777 N CYS A 56 24.123 15.889 -19.602 1.00 0.00 N ATOM 778 CA CYS A 56 23.980 15.252 -20.907 1.00 0.00 C ATOM 779 C CYS A 56 24.145 13.740 -20.798 1.00 0.00 C ATOM 780 O CYS A 56 24.371 13.206 -19.712 1.00 0.00 O ATOM 781 CB CYS A 56 25.004 15.824 -21.889 1.00 0.00 C ATOM 782 SG CYS A 56 25.108 17.642 -21.877 1.00 0.00 S ATOM 0 H CYS A 56 25.012 16.369 -19.463 1.00 0.00 H new ATOM 0 HA CYS A 56 22.976 15.460 -21.278 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.986 15.413 -21.654 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.751 15.492 -22.896 1.00 0.00 H new ATOM 787 N VAL A 57 24.024 13.053 -21.931 1.00 0.00 N ATOM 788 CA VAL A 57 24.154 11.600 -21.959 1.00 0.00 C ATOM 789 C VAL A 57 24.873 11.132 -23.221 1.00 0.00 C ATOM 790 O VAL A 57 24.316 10.381 -24.022 1.00 0.00 O ATOM 791 CB VAL A 57 22.778 10.914 -21.885 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.942 11.260 -23.107 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.939 9.408 -21.749 1.00 0.00 C ATOM 0 H VAL A 57 23.837 13.478 -22.839 1.00 0.00 H new ATOM 0 HA VAL A 57 24.743 11.320 -21.085 1.00 0.00 H new ATOM 0 HB VAL A 57 22.256 11.282 -21.001 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.973 10.766 -23.037 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.796 12.339 -23.155 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.456 10.923 -24.007 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.956 8.940 -21.698 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.481 9.021 -22.612 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.496 9.182 -20.839 1.00 0.00 H new ATOM 803 N LEU A 58 26.114 11.576 -23.391 1.00 0.00 N ATOM 804 CA LEU A 58 26.909 11.196 -24.554 1.00 0.00 C ATOM 805 C LEU A 58 27.997 10.199 -24.167 1.00 0.00 C ATOM 806 O LEU A 58 28.303 10.027 -22.987 1.00 0.00 O ATOM 807 CB LEU A 58 27.542 12.431 -25.204 1.00 0.00 C ATOM 808 CG LEU A 58 27.752 13.626 -24.272 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.415 14.218 -23.858 1.00 0.00 C ATOM 810 CD2 LEU A 58 28.559 13.216 -23.050 1.00 0.00 C ATOM 0 H LEU A 58 26.591 12.199 -22.739 1.00 0.00 H new ATOM 0 HA LEU A 58 26.241 10.722 -25.274 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.506 12.146 -25.625 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.912 12.746 -26.036 1.00 0.00 H new ATOM 0 HG LEU A 58 28.313 14.389 -24.811 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.583 15.067 -23.195 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.874 14.551 -24.744 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.828 13.462 -23.337 1.00 0.00 H new ATOM 0 HD21 LEU A 58 28.698 14.079 -22.399 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.026 12.435 -22.508 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.532 12.840 -23.366 1.00 0.00 H new ATOM 822 N PRO A 59 28.594 9.527 -25.163 1.00 0.00 N ATOM 823 CA PRO A 59 28.243 9.718 -26.572 1.00 0.00 C ATOM 824 C PRO A 59 26.895 9.099 -26.924 1.00 0.00 C ATOM 825 O PRO A 59 26.615 7.955 -26.570 1.00 0.00 O ATOM 826 CB PRO A 59 29.369 9.001 -27.315 1.00 0.00 C ATOM 827 CG PRO A 59 29.831 7.948 -26.368 1.00 0.00 C ATOM 828 CD PRO A 59 29.662 8.526 -24.989 1.00 0.00 C ATOM 0 HA PRO A 59 28.146 10.773 -26.829 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.014 8.566 -28.249 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.176 9.688 -27.570 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.245 7.036 -26.483 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.872 7.684 -26.555 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.381 7.761 -24.265 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.584 8.982 -24.629 1.00 0.00 H new ATOM 836 N PHE A 60 26.069 9.864 -27.627 1.00 0.00 N ATOM 837 CA PHE A 60 24.750 9.395 -28.034 1.00 0.00 C ATOM 838 C PHE A 60 24.682 9.231 -29.547 1.00 0.00 C ATOM 839 O PHE A 60 25.678 9.419 -30.247 1.00 0.00 O ATOM 840 CB PHE A 60 23.674 10.379 -27.572 1.00 0.00 C ATOM 841 CG PHE A 60 24.006 11.810 -27.888 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.696 12.347 -29.127 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.628 12.613 -26.948 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.004 13.662 -29.422 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.938 13.929 -27.237 1.00 0.00 C ATOM 846 CZ PHE A 60 24.625 14.453 -28.476 1.00 0.00 C ATOM 0 H PHE A 60 26.290 10.813 -27.928 1.00 0.00 H new ATOM 0 HA PHE A 60 24.573 8.426 -27.568 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.727 10.120 -28.044 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.533 10.274 -26.496 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.209 11.732 -29.870 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.874 12.207 -25.978 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.759 14.070 -30.391 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.424 14.546 -26.496 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.866 15.481 -28.705 1.00 0.00 H new ATOM 856 N THR A 61 23.503 8.886 -30.050 1.00 0.00 N ATOM 857 CA THR A 61 23.311 8.703 -31.483 1.00 0.00 C ATOM 858 C THR A 61 22.133 9.530 -31.985 1.00 0.00 C ATOM 859 O THR A 61 21.021 9.419 -31.469 1.00 0.00 O ATOM 860 CB THR A 61 23.077 7.222 -31.835 1.00 0.00 C ATOM 861 OG1 THR A 61 23.431 6.391 -30.722 1.00 0.00 O ATOM 862 CG2 THR A 61 23.894 6.822 -33.053 1.00 0.00 C ATOM 0 H THR A 61 22.667 8.728 -29.488 1.00 0.00 H new ATOM 0 HA THR A 61 24.224 9.041 -31.973 1.00 0.00 H new ATOM 0 HB THR A 61 22.020 7.088 -32.065 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.278 5.451 -30.954 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.713 5.772 -33.284 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.602 7.436 -33.905 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.954 6.971 -32.845 1.00 0.00 H new ATOM 870 N TYR A 62 22.386 10.360 -32.991 1.00 0.00 N ATOM 871 CA TYR A 62 21.344 11.208 -33.559 1.00 0.00 C ATOM 872 C TYR A 62 21.495 11.323 -35.072 1.00 0.00 C ATOM 873 O TYR A 62 22.588 11.577 -35.582 1.00 0.00 O ATOM 874 CB TYR A 62 21.386 12.601 -32.923 1.00 0.00 C ATOM 875 CG TYR A 62 20.386 13.568 -33.517 1.00 0.00 C ATOM 876 CD1 TYR A 62 19.021 13.387 -33.333 1.00 0.00 C ATOM 877 CD2 TYR A 62 20.807 14.663 -34.261 1.00 0.00 C ATOM 878 CE1 TYR A 62 18.104 14.269 -33.874 1.00 0.00 C ATOM 879 CE2 TYR A 62 19.898 15.550 -34.806 1.00 0.00 C ATOM 880 CZ TYR A 62 18.548 15.349 -34.609 1.00 0.00 C ATOM 881 OH TYR A 62 17.639 16.229 -35.148 1.00 0.00 O ATOM 0 H TYR A 62 23.301 10.464 -33.429 1.00 0.00 H new ATOM 0 HA TYR A 62 20.381 10.746 -33.344 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.198 12.509 -31.853 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.389 13.013 -33.036 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.670 12.543 -32.758 1.00 0.00 H new ATOM 0 HD2 TYR A 62 21.864 14.824 -34.416 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.046 14.113 -33.722 1.00 0.00 H new ATOM 0 HE2 TYR A 62 20.243 16.395 -35.383 1.00 0.00 H new ATOM 0 HH TYR A 62 16.841 16.264 -34.580 1.00 0.00 H new ATOM 891 N ASN A 63 20.390 11.137 -35.784 1.00 0.00 N ATOM 892 CA ASN A 63 20.392 11.219 -37.240 1.00 0.00 C ATOM 893 C ASN A 63 21.177 10.063 -37.854 1.00 0.00 C ATOM 894 O ASN A 63 21.401 10.027 -39.064 1.00 0.00 O ATOM 895 CB ASN A 63 20.981 12.555 -37.694 1.00 0.00 C ATOM 896 CG ASN A 63 20.112 13.731 -37.297 1.00 0.00 C ATOM 897 OD1 ASN A 63 18.953 13.561 -36.917 1.00 0.00 O ATOM 898 ND2 ASN A 63 20.670 14.932 -37.383 1.00 0.00 N ATOM 0 H ASN A 63 19.479 10.928 -35.376 1.00 0.00 H new ATOM 0 HA ASN A 63 19.360 11.150 -37.584 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.974 12.677 -37.262 1.00 0.00 H new ATOM 0 HB3 ASN A 63 21.104 12.546 -38.777 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.135 15.762 -37.129 1.00 0.00 H new ATOM 0 HD22 ASN A 63 21.634 15.025 -37.703 1.00 0.00 H new ATOM 905 N GLY A 64 21.587 9.117 -37.014 1.00 0.00 N ATOM 906 CA GLY A 64 22.335 7.970 -37.498 1.00 0.00 C ATOM 907 C GLY A 64 23.809 8.043 -37.152 1.00 0.00 C ATOM 908 O GLY A 64 24.540 7.068 -37.327 1.00 0.00 O ATOM 0 H GLY A 64 21.415 9.124 -36.009 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.911 7.060 -37.073 1.00 0.00 H new ATOM 0 HA3 GLY A 64 22.223 7.899 -38.580 1.00 0.00 H new ATOM 912 N ARG A 65 24.250 9.195 -36.659 1.00 0.00 N ATOM 913 CA ARG A 65 25.648 9.378 -36.290 1.00 0.00 C ATOM 914 C ARG A 65 25.815 9.343 -34.775 1.00 0.00 C ATOM 915 O ARG A 65 24.897 8.961 -34.049 1.00 0.00 O ATOM 916 CB ARG A 65 26.185 10.696 -36.848 1.00 0.00 C ATOM 917 CG ARG A 65 25.495 11.926 -36.282 1.00 0.00 C ATOM 918 CD ARG A 65 24.838 12.744 -37.377 1.00 0.00 C ATOM 919 NE ARG A 65 25.810 13.200 -38.359 1.00 0.00 N ATOM 920 CZ ARG A 65 25.484 13.760 -39.520 1.00 0.00 C ATOM 921 NH1 ARG A 65 24.209 13.939 -39.838 1.00 0.00 N ATOM 922 NH2 ARG A 65 26.433 14.142 -40.363 1.00 0.00 N ATOM 0 H ARG A 65 23.661 10.014 -36.506 1.00 0.00 H new ATOM 0 HA ARG A 65 26.221 8.557 -36.722 1.00 0.00 H new ATOM 0 HB2 ARG A 65 27.253 10.761 -36.638 1.00 0.00 H new ATOM 0 HB3 ARG A 65 26.072 10.694 -37.932 1.00 0.00 H new ATOM 0 HG2 ARG A 65 24.744 11.621 -35.553 1.00 0.00 H new ATOM 0 HG3 ARG A 65 26.222 12.542 -35.752 1.00 0.00 H new ATOM 0 HD2 ARG A 65 24.074 12.144 -37.871 1.00 0.00 H new ATOM 0 HD3 ARG A 65 24.333 13.604 -36.937 1.00 0.00 H new ATOM 0 HE ARG A 65 26.800 13.083 -38.144 1.00 0.00 H new ATOM 0 HH11 ARG A 65 23.476 13.647 -39.191 1.00 0.00 H new ATOM 0 HH12 ARG A 65 23.961 14.369 -40.729 1.00 0.00 H new ATOM 0 HH21 ARG A 65 27.415 14.006 -40.121 1.00 0.00 H new ATOM 0 HH22 ARG A 65 26.182 14.571 -41.253 1.00 0.00 H new ATOM 936 N THR A 66 26.992 9.736 -34.303 1.00 0.00 N ATOM 937 CA THR A 66 27.274 9.738 -32.873 1.00 0.00 C ATOM 938 C THR A 66 28.093 10.958 -32.466 1.00 0.00 C ATOM 939 O THR A 66 28.917 11.452 -33.237 1.00 0.00 O ATOM 940 CB THR A 66 28.031 8.464 -32.458 1.00 0.00 C ATOM 941 OG1 THR A 66 27.217 7.309 -32.695 1.00 0.00 O ATOM 942 CG2 THR A 66 28.423 8.521 -30.991 1.00 0.00 C ATOM 0 H THR A 66 27.764 10.056 -34.887 1.00 0.00 H new ATOM 0 HA THR A 66 26.312 9.771 -32.361 1.00 0.00 H new ATOM 0 HB THR A 66 28.938 8.397 -33.058 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.707 6.503 -32.430 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.957 7.610 -30.721 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.068 9.383 -30.820 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.526 8.611 -30.378 1.00 0.00 H new ATOM 950 N PHE A 67 27.863 11.436 -31.248 1.00 0.00 N ATOM 951 CA PHE A 67 28.580 12.595 -30.732 1.00 0.00 C ATOM 952 C PHE A 67 28.881 12.431 -29.246 1.00 0.00 C ATOM 953 O PHE A 67 27.985 12.156 -28.448 1.00 0.00 O ATOM 954 CB PHE A 67 27.771 13.878 -30.945 1.00 0.00 C ATOM 955 CG PHE A 67 26.795 13.815 -32.088 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.790 12.860 -32.115 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.879 14.724 -33.130 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.888 12.814 -33.161 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.979 14.683 -34.177 1.00 0.00 C ATOM 960 CZ PHE A 67 24.983 13.726 -34.194 1.00 0.00 C ATOM 0 H PHE A 67 27.184 11.038 -30.599 1.00 0.00 H new ATOM 0 HA PHE A 67 29.519 12.669 -31.281 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.225 14.105 -30.029 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.461 14.704 -31.118 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.711 12.144 -31.310 1.00 0.00 H new ATOM 0 HD2 PHE A 67 27.657 15.473 -33.124 1.00 0.00 H new ATOM 0 HE1 PHE A 67 24.109 12.066 -33.171 1.00 0.00 H new ATOM 0 HE2 PHE A 67 26.054 15.399 -34.982 1.00 0.00 H new ATOM 0 HZ PHE A 67 24.280 13.691 -35.013 1.00 0.00 H new ATOM 970 N TYR A 68 30.145 12.614 -28.876 1.00 0.00 N ATOM 971 CA TYR A 68 30.555 12.498 -27.485 1.00 0.00 C ATOM 972 C TYR A 68 30.429 13.843 -26.776 1.00 0.00 C ATOM 973 O TYR A 68 30.938 14.027 -25.671 1.00 0.00 O ATOM 974 CB TYR A 68 31.997 11.990 -27.401 1.00 0.00 C ATOM 975 CG TYR A 68 32.216 10.666 -28.102 1.00 0.00 C ATOM 976 CD1 TYR A 68 32.156 10.572 -29.486 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.483 9.512 -27.377 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.355 9.365 -30.129 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.684 8.301 -28.012 1.00 0.00 C ATOM 980 CZ TYR A 68 32.620 8.233 -29.388 1.00 0.00 C ATOM 981 OH TYR A 68 32.819 7.028 -30.024 1.00 0.00 O ATOM 0 H TYR A 68 30.901 12.843 -29.521 1.00 0.00 H new ATOM 0 HA TYR A 68 29.899 11.783 -26.989 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.662 12.736 -27.836 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.276 11.887 -26.352 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.950 11.457 -30.070 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.534 9.562 -26.299 1.00 0.00 H new ATOM 0 HE1 TYR A 68 32.303 9.309 -31.206 1.00 0.00 H new ATOM 0 HE2 TYR A 68 32.890 7.413 -27.434 1.00 0.00 H new ATOM 0 HH TYR A 68 32.995 6.332 -29.358 1.00 0.00 H new ATOM 991 N SER A 69 29.744 14.784 -27.425 1.00 0.00 N ATOM 992 CA SER A 69 29.548 16.117 -26.863 1.00 0.00 C ATOM 993 C SER A 69 28.431 16.859 -27.593 1.00 0.00 C ATOM 994 O SER A 69 27.730 16.283 -28.424 1.00 0.00 O ATOM 995 CB SER A 69 30.848 16.920 -26.943 1.00 0.00 C ATOM 996 OG SER A 69 31.746 16.537 -25.916 1.00 0.00 O ATOM 0 H SER A 69 29.316 14.646 -28.341 1.00 0.00 H new ATOM 0 HA SER A 69 29.260 16.005 -25.818 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.315 16.766 -27.916 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.628 17.984 -26.860 1.00 0.00 H new ATOM 0 HG SER A 69 31.402 15.740 -25.462 1.00 0.00 H new ATOM 1002 N CYS A 70 28.272 18.142 -27.278 1.00 0.00 N ATOM 1003 CA CYS A 70 27.242 18.963 -27.902 1.00 0.00 C ATOM 1004 C CYS A 70 27.382 18.950 -29.423 1.00 0.00 C ATOM 1005 O CYS A 70 28.422 18.562 -29.956 1.00 0.00 O ATOM 1006 CB CYS A 70 27.325 20.399 -27.382 1.00 0.00 C ATOM 1007 SG CYS A 70 27.708 20.528 -25.606 1.00 0.00 S ATOM 0 H CYS A 70 28.845 18.635 -26.593 1.00 0.00 H new ATOM 0 HA CYS A 70 26.270 18.544 -27.642 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.088 20.935 -27.947 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.376 20.899 -27.575 1.00 0.00 H new ATOM 1012 N THR A 71 26.329 19.375 -30.114 1.00 0.00 N ATOM 1013 CA THR A 71 26.337 19.409 -31.572 1.00 0.00 C ATOM 1014 C THR A 71 25.139 20.180 -32.116 1.00 0.00 C ATOM 1015 O THR A 71 24.141 20.369 -31.421 1.00 0.00 O ATOM 1016 CB THR A 71 26.324 17.989 -32.166 1.00 0.00 C ATOM 1017 OG1 THR A 71 26.553 18.046 -33.580 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.995 17.301 -31.891 1.00 0.00 C ATOM 0 H THR A 71 25.461 19.700 -29.689 1.00 0.00 H new ATOM 0 HA THR A 71 27.256 19.915 -31.868 1.00 0.00 H new ATOM 0 HB THR A 71 27.120 17.414 -31.693 1.00 0.00 H new ATOM 0 HG1 THR A 71 26.548 17.138 -33.949 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.008 16.299 -32.320 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.836 17.233 -30.815 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.187 17.877 -32.341 1.00 0.00 H new ATOM 1026 N THR A 72 25.248 20.618 -33.365 1.00 0.00 N ATOM 1027 CA THR A 72 24.176 21.365 -34.011 1.00 0.00 C ATOM 1028 C THR A 72 23.754 20.694 -35.315 1.00 0.00 C ATOM 1029 O THR A 72 23.894 21.271 -36.394 1.00 0.00 O ATOM 1030 CB THR A 72 24.602 22.815 -34.308 1.00 0.00 C ATOM 1031 OG1 THR A 72 26.028 22.897 -34.414 1.00 0.00 O ATOM 1032 CG2 THR A 72 24.116 23.755 -33.215 1.00 0.00 C ATOM 0 H THR A 72 26.069 20.468 -33.951 1.00 0.00 H new ATOM 0 HA THR A 72 23.334 21.377 -33.319 1.00 0.00 H new ATOM 0 HB THR A 72 24.151 23.116 -35.254 1.00 0.00 H new ATOM 0 HG1 THR A 72 26.289 23.822 -34.605 1.00 0.00 H new ATOM 0 HG21 THR A 72 24.428 24.774 -33.446 1.00 0.00 H new ATOM 0 HG22 THR A 72 23.028 23.713 -33.156 1.00 0.00 H new ATOM 0 HG23 THR A 72 24.543 23.452 -32.259 1.00 0.00 H new ATOM 1040 N GLU A 73 23.247 19.470 -35.210 1.00 0.00 N ATOM 1041 CA GLU A 73 22.816 18.716 -36.384 1.00 0.00 C ATOM 1042 C GLU A 73 21.309 18.476 -36.367 1.00 0.00 C ATOM 1043 O GLU A 73 20.790 17.683 -37.153 1.00 0.00 O ATOM 1044 CB GLU A 73 23.546 17.376 -36.441 1.00 0.00 C ATOM 1045 CG GLU A 73 24.925 17.456 -37.073 1.00 0.00 C ATOM 1046 CD GLU A 73 24.866 17.658 -38.576 1.00 0.00 C ATOM 1047 OE1 GLU A 73 24.718 16.654 -39.304 1.00 0.00 O ATOM 1048 OE2 GLU A 73 24.968 18.819 -39.023 1.00 0.00 O ATOM 0 H GLU A 73 23.124 18.978 -34.325 1.00 0.00 H new ATOM 0 HA GLU A 73 23.060 19.305 -37.268 1.00 0.00 H new ATOM 0 HB2 GLU A 73 23.642 16.982 -35.429 1.00 0.00 H new ATOM 0 HB3 GLU A 73 22.939 16.666 -37.003 1.00 0.00 H new ATOM 0 HG2 GLU A 73 25.481 18.277 -36.621 1.00 0.00 H new ATOM 0 HG3 GLU A 73 25.475 16.541 -36.854 1.00 0.00 H new ATOM 1055 N GLY A 74 20.613 19.156 -35.465 1.00 0.00 N ATOM 1056 CA GLY A 74 19.175 18.989 -35.365 1.00 0.00 C ATOM 1057 C GLY A 74 18.419 20.303 -35.405 1.00 0.00 C ATOM 1058 O GLY A 74 17.221 20.343 -35.125 1.00 0.00 O ATOM 0 H GLY A 74 21.016 19.818 -34.802 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.831 18.354 -36.182 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.939 18.469 -34.436 1.00 0.00 H new ATOM 1062 N ARG A 75 19.113 21.380 -35.756 1.00 0.00 N ATOM 1063 CA ARG A 75 18.489 22.696 -35.831 1.00 0.00 C ATOM 1064 C ARG A 75 19.051 23.504 -36.997 1.00 0.00 C ATOM 1065 O ARG A 75 20.122 23.194 -37.520 1.00 0.00 O ATOM 1066 CB ARG A 75 18.692 23.456 -34.519 1.00 0.00 C ATOM 1067 CG ARG A 75 20.083 23.296 -33.931 1.00 0.00 C ATOM 1068 CD ARG A 75 20.116 23.680 -32.459 1.00 0.00 C ATOM 1069 NE ARG A 75 18.994 24.540 -32.089 1.00 0.00 N ATOM 1070 CZ ARG A 75 17.814 24.081 -31.683 1.00 0.00 C ATOM 1071 NH1 ARG A 75 17.601 22.774 -31.597 1.00 0.00 N ATOM 1072 NH2 ARG A 75 16.846 24.929 -31.362 1.00 0.00 N ATOM 0 H ARG A 75 20.105 21.368 -35.992 1.00 0.00 H new ATOM 0 HA ARG A 75 17.421 22.553 -35.998 1.00 0.00 H new ATOM 0 HB2 ARG A 75 18.498 24.515 -34.689 1.00 0.00 H new ATOM 0 HB3 ARG A 75 17.957 23.110 -33.792 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.410 22.263 -34.046 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.787 23.917 -34.486 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.096 22.777 -31.849 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.053 24.193 -32.240 1.00 0.00 H new ATOM 0 HE ARG A 75 19.123 25.550 -32.145 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.343 22.119 -31.843 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.695 22.424 -31.285 1.00 0.00 H new ATOM 0 HH21 ARG A 75 17.006 25.934 -31.427 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.941 24.576 -31.051 1.00 0.00 H new ATOM 1086 N GLN A 76 18.320 24.538 -37.401 1.00 0.00 N ATOM 1087 CA GLN A 76 18.743 25.389 -38.507 1.00 0.00 C ATOM 1088 C GLN A 76 19.354 26.693 -37.999 1.00 0.00 C ATOM 1089 O GLN A 76 19.691 27.577 -38.786 1.00 0.00 O ATOM 1090 CB GLN A 76 17.555 25.695 -39.421 1.00 0.00 C ATOM 1091 CG GLN A 76 16.553 26.662 -38.809 1.00 0.00 C ATOM 1092 CD GLN A 76 15.465 27.071 -39.784 1.00 0.00 C ATOM 1093 OE1 GLN A 76 15.746 27.606 -40.857 1.00 0.00 O ATOM 1094 NE2 GLN A 76 14.215 26.821 -39.413 1.00 0.00 N ATOM 0 H GLN A 76 17.431 24.807 -36.979 1.00 0.00 H new ATOM 0 HA GLN A 76 19.505 24.851 -39.071 1.00 0.00 H new ATOM 0 HB2 GLN A 76 17.925 26.112 -40.358 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.046 24.763 -39.666 1.00 0.00 H new ATOM 0 HG2 GLN A 76 16.096 26.200 -37.934 1.00 0.00 H new ATOM 0 HG3 GLN A 76 17.078 27.552 -38.462 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.029 26.376 -38.514 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.441 27.074 -40.027 1.00 0.00 H new ATOM 1103 N ASP A 77 19.494 26.806 -36.682 1.00 0.00 N ATOM 1104 CA ASP A 77 20.066 28.005 -36.078 1.00 0.00 C ATOM 1105 C ASP A 77 21.578 27.881 -35.948 1.00 0.00 C ATOM 1106 O ASP A 77 22.330 28.660 -36.532 1.00 0.00 O ATOM 1107 CB ASP A 77 19.444 28.262 -34.705 1.00 0.00 C ATOM 1108 CG ASP A 77 19.150 26.979 -33.954 1.00 0.00 C ATOM 1109 OD1 ASP A 77 19.936 26.017 -34.092 1.00 0.00 O ATOM 1110 OD2 ASP A 77 18.135 26.935 -33.227 1.00 0.00 O ATOM 0 H ASP A 77 19.220 26.085 -36.014 1.00 0.00 H new ATOM 0 HA ASP A 77 19.843 28.848 -36.731 1.00 0.00 H new ATOM 0 HB2 ASP A 77 20.120 28.879 -34.113 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.520 28.828 -34.828 1.00 0.00 H new ATOM 1115 N GLY A 78 22.015 26.893 -35.178 1.00 0.00 N ATOM 1116 CA GLY A 78 23.435 26.678 -34.983 1.00 0.00 C ATOM 1117 C GLY A 78 23.830 26.670 -33.519 1.00 0.00 C ATOM 1118 O GLY A 78 24.990 26.909 -33.183 1.00 0.00 O ATOM 0 H GLY A 78 21.410 26.236 -34.685 1.00 0.00 H new ATOM 0 HA2 GLY A 78 23.720 25.729 -35.437 1.00 0.00 H new ATOM 0 HA3 GLY A 78 23.991 27.459 -35.501 1.00 0.00 H new ATOM 1122 N HIS A 79 22.867 26.392 -32.645 1.00 0.00 N ATOM 1123 CA HIS A 79 23.126 26.353 -31.212 1.00 0.00 C ATOM 1124 C HIS A 79 23.442 24.932 -30.757 1.00 0.00 C ATOM 1125 O HIS A 79 22.612 24.032 -30.881 1.00 0.00 O ATOM 1126 CB HIS A 79 21.922 26.891 -30.438 1.00 0.00 C ATOM 1127 CG HIS A 79 21.388 28.181 -30.979 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.113 28.314 -31.488 1.00 0.00 N ATOM 1129 CD2 HIS A 79 21.963 29.403 -31.087 1.00 0.00 C ATOM 1130 CE1 HIS A 79 19.927 29.560 -31.887 1.00 0.00 C ATOM 1131 NE2 HIS A 79 21.034 30.240 -31.653 1.00 0.00 N ATOM 0 H HIS A 79 21.901 26.191 -32.905 1.00 0.00 H new ATOM 0 HA HIS A 79 23.991 26.984 -31.008 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.128 26.144 -30.453 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.206 27.034 -29.395 1.00 0.00 H new ATOM 0 HD2 HIS A 79 22.965 29.669 -30.784 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.024 29.954 -32.329 1.00 0.00 H new ATOM 0 HE2 HIS A 79 21.176 31.229 -31.860 1.00 0.00 H new ATOM 1140 N LEU A 80 24.648 24.737 -30.233 1.00 0.00 N ATOM 1141 CA LEU A 80 25.071 23.426 -29.762 1.00 0.00 C ATOM 1142 C LEU A 80 24.060 22.858 -28.773 1.00 0.00 C ATOM 1143 O LEU A 80 23.547 23.575 -27.914 1.00 0.00 O ATOM 1144 CB LEU A 80 26.446 23.522 -29.101 1.00 0.00 C ATOM 1145 CG LEU A 80 27.627 23.644 -30.065 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.406 24.791 -31.039 1.00 0.00 C ATOM 1147 CD2 LEU A 80 28.923 23.842 -29.291 1.00 0.00 C ATOM 0 H LEU A 80 25.348 25.471 -30.125 1.00 0.00 H new ATOM 0 HA LEU A 80 25.133 22.757 -30.620 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.451 24.385 -28.435 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.595 22.639 -28.480 1.00 0.00 H new ATOM 0 HG LEU A 80 27.703 22.720 -30.638 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.257 24.862 -31.717 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.498 24.610 -31.614 1.00 0.00 H new ATOM 0 HD13 LEU A 80 27.305 25.724 -30.485 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.755 23.927 -29.990 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.855 24.752 -28.695 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.088 22.989 -28.633 1.00 0.00 H new ATOM 1159 N TRP A 81 23.777 21.566 -28.898 1.00 0.00 N ATOM 1160 CA TRP A 81 22.826 20.907 -28.013 1.00 0.00 C ATOM 1161 C TRP A 81 23.279 19.492 -27.677 1.00 0.00 C ATOM 1162 O TRP A 81 23.814 18.780 -28.527 1.00 0.00 O ATOM 1163 CB TRP A 81 21.440 20.871 -28.657 1.00 0.00 C ATOM 1164 CG TRP A 81 21.395 20.071 -29.921 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.513 20.545 -31.194 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.218 18.653 -30.034 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.422 19.510 -32.092 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.241 18.338 -31.404 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.046 17.620 -29.107 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.097 17.034 -31.872 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.901 16.327 -29.572 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.928 16.043 -30.943 1.00 0.00 C ATOM 0 H TRP A 81 24.192 20.956 -29.602 1.00 0.00 H new ATOM 0 HA TRP A 81 22.776 21.480 -27.087 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.727 20.454 -27.946 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.119 21.891 -28.869 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.657 21.582 -31.457 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.480 19.599 -33.106 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.027 17.829 -28.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.118 16.813 -32.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.764 15.521 -28.866 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.813 15.021 -31.274 1.00 0.00 H new ATOM 1183 N CYS A 82 23.056 19.088 -26.430 1.00 0.00 N ATOM 1184 CA CYS A 82 23.437 17.755 -25.978 1.00 0.00 C ATOM 1185 C CYS A 82 22.209 16.967 -25.535 1.00 0.00 C ATOM 1186 O CYS A 82 21.166 17.546 -25.229 1.00 0.00 O ATOM 1187 CB CYS A 82 24.441 17.851 -24.828 1.00 0.00 C ATOM 1188 SG CYS A 82 23.689 18.217 -23.210 1.00 0.00 S ATOM 0 H CYS A 82 22.613 19.665 -25.715 1.00 0.00 H new ATOM 0 HA CYS A 82 23.904 17.231 -26.812 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.987 16.910 -24.758 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.170 18.627 -25.061 1.00 0.00 H new ATOM 1193 N SER A 83 22.336 15.645 -25.504 1.00 0.00 N ATOM 1194 CA SER A 83 21.233 14.782 -25.100 1.00 0.00 C ATOM 1195 C SER A 83 21.276 14.505 -23.600 1.00 0.00 C ATOM 1196 O SER A 83 22.349 14.441 -23.002 1.00 0.00 O ATOM 1197 CB SER A 83 21.278 13.464 -25.876 1.00 0.00 C ATOM 1198 OG SER A 83 20.352 12.530 -25.351 1.00 0.00 O ATOM 0 H SER A 83 23.191 15.148 -25.754 1.00 0.00 H new ATOM 0 HA SER A 83 20.300 15.298 -25.328 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.056 13.650 -26.927 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.284 13.047 -25.832 1.00 0.00 H new ATOM 0 HG SER A 83 20.400 11.697 -25.866 1.00 0.00 H new ATOM 1204 N THR A 84 20.101 14.341 -22.999 1.00 0.00 N ATOM 1205 CA THR A 84 20.004 14.069 -21.570 1.00 0.00 C ATOM 1206 C THR A 84 19.640 12.610 -21.314 1.00 0.00 C ATOM 1207 O THR A 84 20.011 12.038 -20.289 1.00 0.00 O ATOM 1208 CB THR A 84 18.954 14.974 -20.896 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.638 14.594 -21.313 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.196 16.435 -21.241 1.00 0.00 C ATOM 0 H THR A 84 19.203 14.392 -23.480 1.00 0.00 H new ATOM 0 HA THR A 84 20.983 14.279 -21.140 1.00 0.00 H new ATOM 0 HB THR A 84 19.043 14.852 -19.817 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.999 14.788 -20.596 1.00 0.00 H new ATOM 0 HG21 THR A 84 18.442 17.054 -20.754 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.187 16.731 -20.896 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.133 16.569 -22.321 1.00 0.00 H new ATOM 1218 N THR A 85 18.915 12.014 -22.256 1.00 0.00 N ATOM 1219 CA THR A 85 18.502 10.622 -22.140 1.00 0.00 C ATOM 1220 C THR A 85 19.168 9.763 -23.209 1.00 0.00 C ATOM 1221 O THR A 85 19.103 10.077 -24.398 1.00 0.00 O ATOM 1222 CB THR A 85 16.972 10.480 -22.262 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.325 11.328 -21.307 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.539 9.040 -22.041 1.00 0.00 C ATOM 0 H THR A 85 18.601 12.476 -23.110 1.00 0.00 H new ATOM 0 HA THR A 85 18.814 10.278 -21.154 1.00 0.00 H new ATOM 0 HB THR A 85 16.683 10.777 -23.270 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.353 11.234 -21.391 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.455 8.968 -22.133 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.010 8.400 -22.787 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.841 8.718 -21.044 1.00 0.00 H new ATOM 1232 N SER A 86 19.811 8.682 -22.781 1.00 0.00 N ATOM 1233 CA SER A 86 20.490 7.779 -23.705 1.00 0.00 C ATOM 1234 C SER A 86 19.647 7.553 -24.954 1.00 0.00 C ATOM 1235 O SER A 86 20.176 7.421 -26.059 1.00 0.00 O ATOM 1236 CB SER A 86 20.785 6.443 -23.021 1.00 0.00 C ATOM 1237 OG SER A 86 22.141 6.367 -22.615 1.00 0.00 O ATOM 0 H SER A 86 19.877 8.409 -21.800 1.00 0.00 H new ATOM 0 HA SER A 86 21.432 8.239 -24.002 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.135 6.323 -22.154 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.560 5.624 -23.704 1.00 0.00 H new ATOM 0 HG SER A 86 22.304 5.505 -22.179 1.00 0.00 H new ATOM 1243 N ASN A 87 18.333 7.514 -24.770 1.00 0.00 N ATOM 1244 CA ASN A 87 17.407 7.309 -25.877 1.00 0.00 C ATOM 1245 C ASN A 87 16.660 8.597 -26.203 1.00 0.00 C ATOM 1246 O ASN A 87 15.529 8.798 -25.760 1.00 0.00 O ATOM 1247 CB ASN A 87 16.410 6.202 -25.533 1.00 0.00 C ATOM 1248 CG ASN A 87 16.351 5.124 -26.596 1.00 0.00 C ATOM 1249 OD1 ASN A 87 17.166 5.102 -27.519 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.384 4.222 -26.474 1.00 0.00 N ATOM 0 H ASN A 87 17.883 7.622 -23.861 1.00 0.00 H new ATOM 0 HA ASN A 87 17.983 7.012 -26.753 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.686 5.752 -24.579 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.419 6.637 -25.406 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.295 3.473 -27.161 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.730 4.278 -25.693 1.00 0.00 H new ATOM 1257 N TYR A 88 17.296 9.468 -26.981 1.00 0.00 N ATOM 1258 CA TYR A 88 16.688 10.735 -27.364 1.00 0.00 C ATOM 1259 C TYR A 88 15.642 10.521 -28.451 1.00 0.00 C ATOM 1260 O TYR A 88 14.706 11.309 -28.591 1.00 0.00 O ATOM 1261 CB TYR A 88 17.757 11.713 -27.853 1.00 0.00 C ATOM 1262 CG TYR A 88 17.203 12.856 -28.673 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.716 12.643 -29.956 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.166 14.147 -28.163 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.209 13.684 -30.709 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.660 15.195 -28.910 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.182 14.959 -30.181 1.00 0.00 C ATOM 1268 OH TYR A 88 15.677 15.998 -30.928 1.00 0.00 O ATOM 0 H TYR A 88 18.232 9.318 -27.358 1.00 0.00 H new ATOM 0 HA TYR A 88 16.198 11.157 -26.487 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.287 12.119 -26.992 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.489 11.169 -28.451 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.734 11.647 -30.372 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.538 14.336 -27.167 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.836 13.501 -31.706 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.639 16.194 -28.499 1.00 0.00 H new ATOM 0 HH TYR A 88 15.729 16.829 -30.411 1.00 0.00 H new ATOM 1278 N GLU A 89 15.806 9.448 -29.217 1.00 0.00 N ATOM 1279 CA GLU A 89 14.875 9.128 -30.290 1.00 0.00 C ATOM 1280 C GLU A 89 13.524 8.705 -29.722 1.00 0.00 C ATOM 1281 O GLU A 89 12.530 8.630 -30.445 1.00 0.00 O ATOM 1282 CB GLU A 89 15.444 8.015 -31.173 1.00 0.00 C ATOM 1283 CG GLU A 89 16.870 8.275 -31.632 1.00 0.00 C ATOM 1284 CD GLU A 89 17.108 7.855 -33.069 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.116 7.663 -33.804 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.286 7.718 -33.461 1.00 0.00 O ATOM 0 H GLU A 89 16.575 8.786 -29.114 1.00 0.00 H new ATOM 0 HA GLU A 89 14.732 10.022 -30.897 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.413 7.074 -30.623 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.805 7.894 -32.048 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.093 9.337 -31.526 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.560 7.738 -30.982 1.00 0.00 H new ATOM 1293 N GLN A 90 13.497 8.431 -28.421 1.00 0.00 N ATOM 1294 CA GLN A 90 12.271 8.017 -27.750 1.00 0.00 C ATOM 1295 C GLN A 90 11.771 9.111 -26.811 1.00 0.00 C ATOM 1296 O GLN A 90 10.589 9.450 -26.809 1.00 0.00 O ATOM 1297 CB GLN A 90 12.508 6.717 -26.973 1.00 0.00 C ATOM 1298 CG GLN A 90 11.566 6.523 -25.795 1.00 0.00 C ATOM 1299 CD GLN A 90 10.132 6.288 -26.226 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.821 5.052 -26.599 1.00 0.00 O flip ATOM 1301 NE2 GLN A 90 9.313 7.206 -26.224 1.00 0.00 N flip ATOM 0 H GLN A 90 14.312 8.489 -27.810 1.00 0.00 H new ATOM 0 HA GLN A 90 11.507 7.842 -28.507 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.400 5.873 -27.654 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.536 6.704 -26.610 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.906 5.676 -25.199 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.609 7.402 -25.152 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.595 8.141 -25.929 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.351 7.032 -26.517 1.00 0.00 H new ATOM 1310 N ASP A 91 12.682 9.655 -26.015 1.00 0.00 N ATOM 1311 CA ASP A 91 12.340 10.712 -25.068 1.00 0.00 C ATOM 1312 C ASP A 91 12.405 12.081 -25.737 1.00 0.00 C ATOM 1313 O ASP A 91 11.603 12.967 -25.439 1.00 0.00 O ATOM 1314 CB ASP A 91 13.282 10.674 -23.864 1.00 0.00 C ATOM 1315 CG ASP A 91 12.584 10.211 -22.600 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.344 10.064 -22.625 1.00 0.00 O ATOM 1317 OD2 ASP A 91 13.278 9.995 -21.584 1.00 0.00 O ATOM 0 H ASP A 91 13.665 9.383 -26.005 1.00 0.00 H new ATOM 0 HA ASP A 91 11.319 10.542 -24.725 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.117 10.007 -24.080 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.701 11.667 -23.702 1.00 0.00 H new ATOM 1322 N GLN A 92 13.364 12.247 -26.640 1.00 0.00 N ATOM 1323 CA GLN A 92 13.536 13.507 -27.354 1.00 0.00 C ATOM 1324 C GLN A 92 13.912 14.633 -26.396 1.00 0.00 C ATOM 1325 O GLN A 92 13.436 15.761 -26.532 1.00 0.00 O ATOM 1326 CB GLN A 92 12.253 13.871 -28.105 1.00 0.00 C ATOM 1327 CG GLN A 92 11.457 12.662 -28.570 1.00 0.00 C ATOM 1328 CD GLN A 92 10.917 12.827 -29.978 1.00 0.00 C ATOM 1329 OE1 GLN A 92 9.800 13.305 -30.174 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.710 12.430 -30.966 1.00 0.00 N ATOM 0 H GLN A 92 14.036 11.523 -26.896 1.00 0.00 H new ATOM 0 HA GLN A 92 14.347 13.379 -28.071 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.624 14.483 -27.458 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.509 14.482 -28.971 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.091 11.776 -28.529 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.627 12.492 -27.884 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.629 12.039 -30.757 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.401 12.516 -31.934 1.00 0.00 H new ATOM 1339 N LYS A 93 14.770 14.323 -25.431 1.00 0.00 N ATOM 1340 CA LYS A 93 15.213 15.312 -24.454 1.00 0.00 C ATOM 1341 C LYS A 93 16.629 15.781 -24.770 1.00 0.00 C ATOM 1342 O LYS A 93 17.557 14.976 -24.842 1.00 0.00 O ATOM 1343 CB LYS A 93 15.154 14.729 -23.041 1.00 0.00 C ATOM 1344 CG LYS A 93 13.764 14.763 -22.426 1.00 0.00 C ATOM 1345 CD LYS A 93 12.696 14.376 -23.438 1.00 0.00 C ATOM 1346 CE LYS A 93 11.491 13.743 -22.761 1.00 0.00 C ATOM 1347 NZ LYS A 93 10.328 14.672 -22.714 1.00 0.00 N ATOM 0 H LYS A 93 15.173 13.395 -25.304 1.00 0.00 H new ATOM 0 HA LYS A 93 14.543 16.170 -24.508 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.505 13.697 -23.068 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.840 15.283 -22.400 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.725 14.082 -21.576 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.559 15.763 -22.043 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.381 15.260 -23.992 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.116 13.678 -24.163 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.209 12.836 -23.296 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.759 13.445 -21.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.527 14.202 -22.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.588 15.527 -22.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.055 14.936 -23.682 1.00 0.00 H new ATOM 1361 N TYR A 94 16.788 17.087 -24.966 1.00 0.00 N ATOM 1362 CA TYR A 94 18.092 17.654 -25.284 1.00 0.00 C ATOM 1363 C TYR A 94 18.315 18.985 -24.573 1.00 0.00 C ATOM 1364 O TYR A 94 17.375 19.602 -24.071 1.00 0.00 O ATOM 1365 CB TYR A 94 18.223 17.854 -26.795 1.00 0.00 C ATOM 1366 CG TYR A 94 17.479 19.067 -27.310 1.00 0.00 C ATOM 1367 CD1 TYR A 94 17.913 20.353 -27.011 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.340 18.926 -28.094 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.235 21.463 -27.479 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.657 20.032 -28.566 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.107 21.296 -28.255 1.00 0.00 C ATOM 1372 OH TYR A 94 15.429 22.399 -28.721 1.00 0.00 O ATOM 0 H TYR A 94 16.032 17.769 -24.910 1.00 0.00 H new ATOM 0 HA TYR A 94 18.850 16.952 -24.937 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.278 17.949 -27.051 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.850 16.966 -27.305 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.795 20.487 -26.403 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.983 17.937 -28.339 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.587 22.455 -27.238 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.775 19.905 -29.176 1.00 0.00 H new ATOM 0 HH TYR A 94 14.658 22.109 -29.253 1.00 0.00 H new ATOM 1382 N SER A 95 19.569 19.422 -24.550 1.00 0.00 N ATOM 1383 CA SER A 95 19.938 20.683 -23.919 1.00 0.00 C ATOM 1384 C SER A 95 20.778 21.520 -24.878 1.00 0.00 C ATOM 1385 O SER A 95 21.039 21.102 -26.005 1.00 0.00 O ATOM 1386 CB SER A 95 20.715 20.427 -22.626 1.00 0.00 C ATOM 1387 OG SER A 95 21.054 19.058 -22.497 1.00 0.00 O ATOM 0 H SER A 95 20.352 18.917 -24.964 1.00 0.00 H new ATOM 0 HA SER A 95 19.027 21.230 -23.674 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.622 21.032 -22.617 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.116 20.739 -21.770 1.00 0.00 H new ATOM 0 HG SER A 95 21.794 18.846 -23.104 1.00 0.00 H new ATOM 1393 N PHE A 96 21.201 22.697 -24.434 1.00 0.00 N ATOM 1394 CA PHE A 96 22.011 23.575 -25.271 1.00 0.00 C ATOM 1395 C PHE A 96 23.473 23.540 -24.842 1.00 0.00 C ATOM 1396 O PHE A 96 23.856 22.751 -23.981 1.00 0.00 O ATOM 1397 CB PHE A 96 21.478 25.007 -25.210 1.00 0.00 C ATOM 1398 CG PHE A 96 20.276 25.230 -26.083 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.228 24.702 -27.363 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.194 25.963 -25.623 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.124 24.901 -28.168 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.087 26.167 -26.424 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.051 25.633 -27.699 1.00 0.00 C ATOM 0 H PHE A 96 20.998 23.065 -23.504 1.00 0.00 H new ATOM 0 HA PHE A 96 21.947 23.217 -26.299 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.219 25.248 -24.179 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.269 25.695 -25.509 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.064 24.128 -27.735 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.216 26.380 -24.627 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.100 24.484 -29.164 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.251 26.743 -26.055 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.186 25.788 -28.327 1.00 0.00 H new ATOM 1413 N CYS A 97 24.286 24.398 -25.450 1.00 0.00 N ATOM 1414 CA CYS A 97 25.707 24.463 -25.128 1.00 0.00 C ATOM 1415 C CYS A 97 26.313 25.778 -25.609 1.00 0.00 C ATOM 1416 O CYS A 97 26.156 26.159 -26.769 1.00 0.00 O ATOM 1417 CB CYS A 97 26.449 23.285 -25.758 1.00 0.00 C ATOM 1418 SG CYS A 97 26.227 21.707 -24.873 1.00 0.00 S ATOM 0 H CYS A 97 23.985 25.057 -26.168 1.00 0.00 H new ATOM 0 HA CYS A 97 25.812 24.410 -24.044 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.109 23.163 -26.786 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.513 23.520 -25.799 1.00 0.00 H new ATOM 1423 N THR A 98 27.003 26.470 -24.708 1.00 0.00 N ATOM 1424 CA THR A 98 27.629 27.745 -25.038 1.00 0.00 C ATOM 1425 C THR A 98 28.991 27.545 -25.697 1.00 0.00 C ATOM 1426 O THR A 98 29.767 28.490 -25.836 1.00 0.00 O ATOM 1427 CB THR A 98 27.805 28.627 -23.788 1.00 0.00 C ATOM 1428 OG1 THR A 98 28.794 29.634 -24.032 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.218 27.785 -22.588 1.00 0.00 C ATOM 0 H THR A 98 27.143 26.169 -23.743 1.00 0.00 H new ATOM 0 HA THR A 98 26.961 28.245 -25.739 1.00 0.00 H new ATOM 0 HB THR A 98 26.849 29.104 -23.569 1.00 0.00 H new ATOM 0 HG1 THR A 98 28.977 29.687 -24.993 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.337 28.428 -21.716 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.450 27.038 -22.386 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.163 27.286 -22.802 1.00 0.00 H new ATOM 1437 N ASP A 99 29.276 26.312 -26.100 1.00 0.00 N ATOM 1438 CA ASP A 99 30.546 25.995 -26.745 1.00 0.00 C ATOM 1439 C ASP A 99 31.699 26.113 -25.753 1.00 0.00 C ATOM 1440 O ASP A 99 32.382 25.132 -25.459 1.00 0.00 O ATOM 1441 CB ASP A 99 30.786 26.924 -27.937 1.00 0.00 C ATOM 1442 CG ASP A 99 29.505 27.549 -28.453 1.00 0.00 C ATOM 1443 OD1 ASP A 99 28.657 26.807 -28.991 1.00 0.00 O ATOM 1444 OD2 ASP A 99 29.348 28.781 -28.318 1.00 0.00 O ATOM 0 H ASP A 99 28.647 25.517 -25.992 1.00 0.00 H new ATOM 0 HA ASP A 99 30.498 24.966 -27.102 1.00 0.00 H new ATOM 0 HB2 ASP A 99 31.479 27.713 -27.645 1.00 0.00 H new ATOM 0 HB3 ASP A 99 31.262 26.363 -28.741 1.00 0.00 H new ATOM 1449 N HIS A 100 31.907 27.321 -25.239 1.00 0.00 N ATOM 1450 CA HIS A 100 32.974 27.568 -24.277 1.00 0.00 C ATOM 1451 C HIS A 100 32.561 28.636 -23.271 1.00 0.00 C ATOM 1452 O HIS A 100 32.376 28.354 -22.088 1.00 0.00 O ATOM 1453 CB HIS A 100 34.253 27.997 -24.997 1.00 0.00 C ATOM 1454 CG HIS A 100 35.499 27.711 -24.219 1.00 0.00 C ATOM 1455 ND1 HIS A 100 35.790 28.319 -23.017 1.00 0.00 N ATOM 1456 CD2 HIS A 100 36.534 26.874 -24.475 1.00 0.00 C ATOM 1457 CE1 HIS A 100 36.949 27.871 -22.567 1.00 0.00 C ATOM 1458 NE2 HIS A 100 37.420 26.994 -23.433 1.00 0.00 N ATOM 0 H HIS A 100 31.351 28.143 -25.473 1.00 0.00 H new ATOM 0 HA HIS A 100 33.164 26.640 -23.739 1.00 0.00 H new ATOM 0 HB2 HIS A 100 34.309 27.486 -25.958 1.00 0.00 H new ATOM 0 HB3 HIS A 100 34.202 29.065 -25.207 1.00 0.00 H new ATOM 0 HD2 HIS A 100 36.642 26.233 -25.337 1.00 0.00 H new ATOM 0 HE1 HIS A 100 37.429 28.171 -21.647 1.00 0.00 H new ATOM 0 HE2 HIS A 100 38.300 26.487 -23.343 1.00 0.00 H new ATOM 1467 N THR A 101 32.419 29.864 -23.755 1.00 0.00 N ATOM 1468 CA THR A 101 32.028 30.981 -22.905 1.00 0.00 C ATOM 1469 C THR A 101 30.669 31.537 -23.317 1.00 0.00 C ATOM 1470 O THR A 101 30.309 31.396 -24.505 1.00 0.00 O ATOM 1471 CB THR A 101 33.070 32.114 -22.953 1.00 0.00 C ATOM 1472 OG1 THR A 101 33.121 32.679 -24.269 1.00 0.00 O ATOM 1473 CG2 THR A 101 34.447 31.602 -22.563 1.00 0.00 C ATOM 1474 OXT THR A 101 29.976 32.107 -22.449 1.00 0.00 O ATOM 0 H THR A 101 32.569 30.111 -24.733 1.00 0.00 H new ATOM 0 HA THR A 101 31.966 30.597 -21.887 1.00 0.00 H new ATOM 0 HB THR A 101 32.770 32.882 -22.239 1.00 0.00 H new ATOM 0 HG1 THR A 101 33.785 33.400 -24.290 1.00 0.00 H new ATOM 0 HG21 THR A 101 35.165 32.421 -22.605 1.00 0.00 H new ATOM 0 HG22 THR A 101 34.413 31.201 -21.550 1.00 0.00 H new ATOM 0 HG23 THR A 101 34.752 30.816 -23.254 1.00 0.00 H new TER 1482 THR A 101