USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=33 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 17 GLN : amide:sc= -0.681 K(o=-1.2,f=-0.51) USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= -0.508 USER MOD Set 2.1: A 3 HIS : no HD1:sc= -4.73! C(o=-6.1!,f=-6.3!) USER MOD Set 2.2: A 13 SER OG : rot 180:sc= -1.37 USER MOD Single : A 1 TYR N :NH3+ -170:sc= -0.0888 (180deg=-0.225) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -59:sc= 0.113 USER MOD Single : A 12 TYR OH : rot -89:sc= 1.28 USER MOD Single : A 16 MET CE :methyl -109:sc= -0.88 (180deg=-2.63!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 121:sc= 0.0378! USER MOD Single : A 22 GLN : amide:sc= -0.0272 K(o=-0.027,f=-2.4!) USER MOD Single : A 24 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.13) USER MOD Single : A 26 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.27) USER MOD Single : A 27 MET CE :methyl 164:sc= -0.258 (180deg=-1.05) USER MOD Single : A 34 ASN : amide:sc= -3.52! C(o=-3.5!,f=-7.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.764 K(o=-0.76,f=-0.13) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 158:sc= 0.948 USER MOD Single : A 45 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.5!) USER MOD Single : A 46 THR OG1 : rot 57:sc= -0.0285! USER MOD Single : A 47 TYR OH : rot -143:sc= 0.0566 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -164:sc= 0.307 USER MOD Single : A 63 ASN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00311 USER MOD Single : A 71 THR OG1 : rot 171:sc= 0.22 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0657 K(o=-0.066,f=-0.63) USER MOD Single : A 79 HIS : no HD1:sc= -0.599 K(o=-0.6,f=-2) USER MOD Single : A 83 SER OG : rot -120:sc= -1.45! USER MOD Single : A 84 THR OG1 : rot -43:sc= -0.878! USER MOD Single : A 85 THR OG1 : rot 167:sc= 0.563 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.3!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.93 K(o=-1.9,f=-5.1!) 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 6:sc= 0.162 USER MOD Single : A 95 SER OG : rot 113:sc= 1.26 USER MOD Single : A 98 THR OG1 : rot 4:sc= 0.999 USER MOD Single : A 100 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.49) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0807 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 53.762 5.383 -39.086 1.00 0.00 N ATOM 2 CA TYR A 1 54.047 6.279 -40.238 1.00 0.00 C ATOM 3 C TYR A 1 52.835 7.138 -40.584 1.00 0.00 C ATOM 4 O TYR A 1 52.961 8.174 -41.238 1.00 0.00 O ATOM 5 CB TYR A 1 54.442 5.416 -41.438 1.00 0.00 C ATOM 6 CG TYR A 1 54.955 6.214 -42.617 1.00 0.00 C ATOM 7 CD1 TYR A 1 56.223 6.779 -42.599 1.00 0.00 C ATOM 8 CD2 TYR A 1 54.169 6.400 -43.748 1.00 0.00 C ATOM 9 CE1 TYR A 1 56.694 7.509 -43.674 1.00 0.00 C ATOM 10 CE2 TYR A 1 54.634 7.127 -44.828 1.00 0.00 C ATOM 11 CZ TYR A 1 55.896 7.679 -44.786 1.00 0.00 C ATOM 12 OH TYR A 1 56.362 8.404 -45.858 1.00 0.00 O ATOM 0 H1 TYR A 1 54.645 4.937 -38.766 1.00 0.00 H new ATOM 0 H2 TYR A 1 53.352 5.938 -38.308 1.00 0.00 H new ATOM 0 H3 TYR A 1 53.088 4.646 -39.378 1.00 0.00 H new ATOM 0 HA TYR A 1 54.861 6.954 -39.974 1.00 0.00 H new ATOM 0 HB2 TYR A 1 55.210 4.708 -41.128 1.00 0.00 H new ATOM 0 HB3 TYR A 1 53.578 4.831 -41.754 1.00 0.00 H new ATOM 0 HD1 TYR A 1 56.852 6.646 -41.731 1.00 0.00 H new ATOM 0 HD2 TYR A 1 53.179 5.970 -43.784 1.00 0.00 H new ATOM 0 HE1 TYR A 1 57.682 7.944 -43.643 1.00 0.00 H new ATOM 0 HE2 TYR A 1 54.011 7.262 -45.700 1.00 0.00 H new ATOM 0 HH TYR A 1 55.678 8.428 -46.559 1.00 0.00 H new ATOM 24 N GLY A 2 51.660 6.702 -40.142 1.00 0.00 N ATOM 25 CA GLY A 2 50.442 7.443 -40.416 1.00 0.00 C ATOM 26 C GLY A 2 49.349 7.158 -39.406 1.00 0.00 C ATOM 27 O GLY A 2 48.942 8.046 -38.656 1.00 0.00 O ATOM 0 H GLY A 2 51.529 5.849 -39.599 1.00 0.00 H new ATOM 0 HA2 GLY A 2 50.662 8.510 -40.416 1.00 0.00 H new ATOM 0 HA3 GLY A 2 50.084 7.191 -41.414 1.00 0.00 H new ATOM 31 N HIS A 3 48.874 5.917 -39.384 1.00 0.00 N ATOM 32 CA HIS A 3 47.824 5.516 -38.459 1.00 0.00 C ATOM 33 C HIS A 3 48.014 6.177 -37.098 1.00 0.00 C ATOM 34 O HIS A 3 49.119 6.588 -36.745 1.00 0.00 O ATOM 35 CB HIS A 3 47.820 3.994 -38.304 1.00 0.00 C ATOM 36 CG HIS A 3 46.968 3.291 -39.313 1.00 0.00 C ATOM 37 ND1 HIS A 3 47.127 3.449 -40.673 1.00 0.00 N ATOM 38 CD2 HIS A 3 45.944 2.417 -39.156 1.00 0.00 C ATOM 39 CE1 HIS A 3 46.239 2.706 -41.309 1.00 0.00 C ATOM 40 NE2 HIS A 3 45.510 2.069 -40.412 1.00 0.00 N ATOM 0 H HIS A 3 49.201 5.171 -39.998 1.00 0.00 H new ATOM 0 HA HIS A 3 46.866 5.841 -38.866 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.843 3.626 -38.385 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.469 3.740 -37.304 1.00 0.00 H new ATOM 0 HD2 HIS A 3 45.544 2.061 -38.218 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.128 2.632 -42.381 1.00 0.00 H new ATOM 0 HE2 HIS A 3 44.748 1.423 -40.618 1.00 0.00 H new ATOM 49 N CYS A 4 46.929 6.277 -36.335 1.00 0.00 N ATOM 50 CA CYS A 4 46.982 6.891 -35.008 1.00 0.00 C ATOM 51 C CYS A 4 46.951 5.831 -33.912 1.00 0.00 C ATOM 52 O CYS A 4 46.189 4.872 -33.988 1.00 0.00 O ATOM 53 CB CYS A 4 45.820 7.868 -34.811 1.00 0.00 C ATOM 54 SG CYS A 4 44.364 7.534 -35.857 1.00 0.00 S ATOM 0 H CYS A 4 46.005 5.943 -36.610 1.00 0.00 H new ATOM 0 HA CYS A 4 47.921 7.440 -34.939 1.00 0.00 H new ATOM 0 HB2 CYS A 4 45.514 7.842 -33.765 1.00 0.00 H new ATOM 0 HB3 CYS A 4 46.173 8.879 -35.015 1.00 0.00 H new ATOM 59 N VAL A 5 47.781 6.014 -32.891 1.00 0.00 N ATOM 60 CA VAL A 5 47.840 5.074 -31.779 1.00 0.00 C ATOM 61 C VAL A 5 47.785 5.804 -30.441 1.00 0.00 C ATOM 62 O VAL A 5 48.612 6.672 -30.162 1.00 0.00 O ATOM 63 CB VAL A 5 49.120 4.217 -31.830 1.00 0.00 C ATOM 64 CG1 VAL A 5 49.243 3.522 -33.178 1.00 0.00 C ATOM 65 CG2 VAL A 5 50.346 5.073 -31.548 1.00 0.00 C ATOM 0 H VAL A 5 48.421 6.804 -32.811 1.00 0.00 H new ATOM 0 HA VAL A 5 46.972 4.421 -31.872 1.00 0.00 H new ATOM 0 HB VAL A 5 49.055 3.451 -31.057 1.00 0.00 H new ATOM 0 HG11 VAL A 5 50.152 2.921 -33.196 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.379 2.877 -33.335 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.286 4.269 -33.970 1.00 0.00 H new ATOM 0 HG21 VAL A 5 51.241 4.452 -31.588 1.00 0.00 H new ATOM 0 HG22 VAL A 5 50.419 5.862 -32.296 1.00 0.00 H new ATOM 0 HG23 VAL A 5 50.258 5.519 -30.557 1.00 0.00 H new ATOM 75 N THR A 6 46.805 5.445 -29.619 1.00 0.00 N ATOM 76 CA THR A 6 46.641 6.066 -28.311 1.00 0.00 C ATOM 77 C THR A 6 47.993 6.356 -27.667 1.00 0.00 C ATOM 78 O THR A 6 48.175 7.386 -27.017 1.00 0.00 O ATOM 79 CB THR A 6 45.817 5.174 -27.364 1.00 0.00 C ATOM 80 OG1 THR A 6 46.526 3.958 -27.093 1.00 0.00 O ATOM 81 CG2 THR A 6 44.461 4.850 -27.973 1.00 0.00 C ATOM 0 H THR A 6 46.113 4.728 -29.836 1.00 0.00 H new ATOM 0 HA THR A 6 46.108 7.003 -28.471 1.00 0.00 H new ATOM 0 HB THR A 6 45.661 5.718 -26.432 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.996 3.398 -26.489 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.896 4.219 -27.287 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.912 5.775 -28.152 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.602 4.324 -28.917 1.00 0.00 H new ATOM 89 N ASP A 7 48.938 5.442 -27.853 1.00 0.00 N ATOM 90 CA ASP A 7 50.275 5.598 -27.292 1.00 0.00 C ATOM 91 C ASP A 7 51.161 4.416 -27.666 1.00 0.00 C ATOM 92 O ASP A 7 52.326 4.587 -28.026 1.00 0.00 O ATOM 93 CB ASP A 7 50.200 5.731 -25.770 1.00 0.00 C ATOM 94 CG ASP A 7 51.380 6.490 -25.197 1.00 0.00 C ATOM 95 OD1 ASP A 7 52.520 5.995 -25.318 1.00 0.00 O ATOM 96 OD2 ASP A 7 51.164 7.580 -24.624 1.00 0.00 O ATOM 0 H ASP A 7 48.803 4.584 -28.388 1.00 0.00 H new ATOM 0 HA ASP A 7 50.713 6.505 -27.708 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.276 6.242 -25.498 1.00 0.00 H new ATOM 0 HB3 ASP A 7 50.159 4.738 -25.323 1.00 0.00 H new ATOM 101 N SER A 8 50.599 3.216 -27.577 1.00 0.00 N ATOM 102 CA SER A 8 51.330 1.998 -27.904 1.00 0.00 C ATOM 103 C SER A 8 50.475 0.762 -27.640 1.00 0.00 C ATOM 104 O SER A 8 50.870 -0.130 -26.890 1.00 0.00 O ATOM 105 CB SER A 8 52.624 1.919 -27.090 1.00 0.00 C ATOM 106 OG SER A 8 53.460 0.876 -27.562 1.00 0.00 O ATOM 0 H SER A 8 49.636 3.061 -27.280 1.00 0.00 H new ATOM 0 HA SER A 8 51.577 2.028 -28.965 1.00 0.00 H new ATOM 0 HB2 SER A 8 53.154 2.870 -27.150 1.00 0.00 H new ATOM 0 HB3 SER A 8 52.387 1.752 -26.039 1.00 0.00 H new ATOM 0 HG SER A 8 52.986 0.021 -27.494 1.00 0.00 H new ATOM 112 N GLY A 9 49.301 0.717 -28.263 1.00 0.00 N ATOM 113 CA GLY A 9 48.408 -0.413 -28.083 1.00 0.00 C ATOM 114 C GLY A 9 47.353 -0.496 -29.166 1.00 0.00 C ATOM 115 O GLY A 9 47.249 -1.502 -29.869 1.00 0.00 O ATOM 0 H GLY A 9 48.953 1.443 -28.889 1.00 0.00 H new ATOM 0 HA2 GLY A 9 48.990 -1.335 -28.076 1.00 0.00 H new ATOM 0 HA3 GLY A 9 47.921 -0.336 -27.111 1.00 0.00 H new ATOM 119 N VAL A 10 46.568 0.565 -29.300 1.00 0.00 N ATOM 120 CA VAL A 10 45.514 0.617 -30.306 1.00 0.00 C ATOM 121 C VAL A 10 46.049 1.152 -31.629 1.00 0.00 C ATOM 122 O VAL A 10 46.953 1.989 -31.650 1.00 0.00 O ATOM 123 CB VAL A 10 44.340 1.499 -29.842 1.00 0.00 C ATOM 124 CG1 VAL A 10 43.271 1.579 -30.920 1.00 0.00 C ATOM 125 CG2 VAL A 10 43.758 0.968 -28.541 1.00 0.00 C ATOM 0 H VAL A 10 46.641 1.403 -28.723 1.00 0.00 H new ATOM 0 HA VAL A 10 45.156 -0.403 -30.448 1.00 0.00 H new ATOM 0 HB VAL A 10 44.715 2.507 -29.662 1.00 0.00 H new ATOM 0 HG11 VAL A 10 42.450 2.207 -30.573 1.00 0.00 H new ATOM 0 HG12 VAL A 10 43.699 2.009 -31.825 1.00 0.00 H new ATOM 0 HG13 VAL A 10 42.896 0.578 -31.136 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.929 1.603 -28.227 1.00 0.00 H new ATOM 0 HG22 VAL A 10 43.398 -0.050 -28.692 1.00 0.00 H new ATOM 0 HG23 VAL A 10 44.529 0.970 -27.770 1.00 0.00 H new ATOM 135 N VAL A 11 45.494 0.662 -32.732 1.00 0.00 N ATOM 136 CA VAL A 11 45.929 1.092 -34.055 1.00 0.00 C ATOM 137 C VAL A 11 44.805 1.781 -34.822 1.00 0.00 C ATOM 138 O VAL A 11 44.051 1.140 -35.552 1.00 0.00 O ATOM 139 CB VAL A 11 46.449 -0.092 -34.890 1.00 0.00 C ATOM 140 CG1 VAL A 11 47.020 0.396 -36.213 1.00 0.00 C ATOM 141 CG2 VAL A 11 47.493 -0.878 -34.111 1.00 0.00 C ATOM 0 H VAL A 11 44.745 -0.030 -32.736 1.00 0.00 H new ATOM 0 HA VAL A 11 46.739 1.803 -33.895 1.00 0.00 H new ATOM 0 HB VAL A 11 45.611 -0.756 -35.104 1.00 0.00 H new ATOM 0 HG11 VAL A 11 47.382 -0.455 -36.789 1.00 0.00 H new ATOM 0 HG12 VAL A 11 46.242 0.911 -36.777 1.00 0.00 H new ATOM 0 HG13 VAL A 11 47.845 1.082 -36.022 1.00 0.00 H new ATOM 0 HG21 VAL A 11 47.849 -1.711 -34.718 1.00 0.00 H new ATOM 0 HG22 VAL A 11 48.330 -0.225 -33.864 1.00 0.00 H new ATOM 0 HG23 VAL A 11 47.049 -1.262 -33.192 1.00 0.00 H new ATOM 151 N TYR A 12 44.709 3.095 -34.654 1.00 0.00 N ATOM 152 CA TYR A 12 43.692 3.888 -35.333 1.00 0.00 C ATOM 153 C TYR A 12 44.189 4.334 -36.704 1.00 0.00 C ATOM 154 O TYR A 12 45.235 3.885 -37.171 1.00 0.00 O ATOM 155 CB TYR A 12 43.326 5.115 -34.498 1.00 0.00 C ATOM 156 CG TYR A 12 42.573 4.791 -33.235 1.00 0.00 C ATOM 157 CD1 TYR A 12 41.231 4.438 -33.278 1.00 0.00 C ATOM 158 CD2 TYR A 12 43.204 4.834 -32.000 1.00 0.00 C ATOM 159 CE1 TYR A 12 40.537 4.137 -32.121 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.519 4.533 -30.839 1.00 0.00 C ATOM 161 CZ TYR A 12 41.186 4.185 -30.904 1.00 0.00 C ATOM 162 OH TYR A 12 40.499 3.885 -29.750 1.00 0.00 O ATOM 0 H TYR A 12 45.327 3.636 -34.050 1.00 0.00 H new ATOM 0 HA TYR A 12 42.806 3.266 -35.461 1.00 0.00 H new ATOM 0 HB2 TYR A 12 44.239 5.651 -34.238 1.00 0.00 H new ATOM 0 HB3 TYR A 12 42.723 5.789 -35.106 1.00 0.00 H new ATOM 0 HD1 TYR A 12 40.722 4.398 -34.230 1.00 0.00 H new ATOM 0 HD2 TYR A 12 44.247 5.107 -31.946 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.493 3.866 -32.169 1.00 0.00 H new ATOM 0 HE2 TYR A 12 43.025 4.570 -29.885 1.00 0.00 H new ATOM 0 HH TYR A 12 40.089 4.700 -29.392 1.00 0.00 H new ATOM 172 N SER A 13 43.437 5.225 -37.337 1.00 0.00 N ATOM 173 CA SER A 13 43.804 5.740 -38.649 1.00 0.00 C ATOM 174 C SER A 13 43.578 7.245 -38.717 1.00 0.00 C ATOM 175 O SER A 13 42.713 7.785 -38.028 1.00 0.00 O ATOM 176 CB SER A 13 42.995 5.039 -39.739 1.00 0.00 C ATOM 177 OG SER A 13 43.522 3.755 -40.022 1.00 0.00 O ATOM 0 H SER A 13 42.568 5.606 -36.962 1.00 0.00 H new ATOM 0 HA SER A 13 44.863 5.540 -38.812 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.956 4.947 -39.422 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.999 5.645 -40.645 1.00 0.00 H new ATOM 0 HG SER A 13 42.985 3.328 -40.722 1.00 0.00 H new ATOM 183 N VAL A 14 44.361 7.920 -39.550 1.00 0.00 N ATOM 184 CA VAL A 14 44.248 9.365 -39.703 1.00 0.00 C ATOM 185 C VAL A 14 42.798 9.787 -39.924 1.00 0.00 C ATOM 186 O VAL A 14 42.348 9.933 -41.061 1.00 0.00 O ATOM 187 CB VAL A 14 45.106 9.872 -40.875 1.00 0.00 C ATOM 188 CG1 VAL A 14 44.877 9.018 -42.112 1.00 0.00 C ATOM 189 CG2 VAL A 14 44.810 11.336 -41.164 1.00 0.00 C ATOM 0 H VAL A 14 45.081 7.490 -40.130 1.00 0.00 H new ATOM 0 HA VAL A 14 44.612 9.810 -38.777 1.00 0.00 H new ATOM 0 HB VAL A 14 46.156 9.789 -40.594 1.00 0.00 H new ATOM 0 HG11 VAL A 14 45.492 9.391 -42.931 1.00 0.00 H new ATOM 0 HG12 VAL A 14 45.149 7.985 -41.896 1.00 0.00 H new ATOM 0 HG13 VAL A 14 43.826 9.065 -42.397 1.00 0.00 H new ATOM 0 HG21 VAL A 14 45.427 11.675 -41.996 1.00 0.00 H new ATOM 0 HG22 VAL A 14 43.757 11.450 -41.423 1.00 0.00 H new ATOM 0 HG23 VAL A 14 45.033 11.934 -40.280 1.00 0.00 H new ATOM 199 N GLY A 15 42.072 9.988 -38.828 1.00 0.00 N ATOM 200 CA GLY A 15 40.684 10.401 -38.919 1.00 0.00 C ATOM 201 C GLY A 15 39.721 9.393 -38.320 1.00 0.00 C ATOM 202 O GLY A 15 38.506 9.575 -38.388 1.00 0.00 O ATOM 0 H GLY A 15 42.422 9.872 -37.877 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.562 11.357 -38.410 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.427 10.562 -39.966 1.00 0.00 H new ATOM 206 N MET A 16 40.257 8.329 -37.727 1.00 0.00 N ATOM 207 CA MET A 16 39.422 7.305 -37.115 1.00 0.00 C ATOM 208 C MET A 16 39.131 7.656 -35.662 1.00 0.00 C ATOM 209 O MET A 16 39.290 6.823 -34.769 1.00 0.00 O ATOM 210 CB MET A 16 40.101 5.938 -37.203 1.00 0.00 C ATOM 211 CG MET A 16 39.263 4.886 -37.912 1.00 0.00 C ATOM 212 SD MET A 16 38.945 3.441 -36.882 1.00 0.00 S ATOM 213 CE MET A 16 40.594 2.756 -36.742 1.00 0.00 C ATOM 0 H MET A 16 41.260 8.156 -37.659 1.00 0.00 H new ATOM 0 HA MET A 16 38.478 7.260 -37.659 1.00 0.00 H new ATOM 0 HB2 MET A 16 41.051 6.047 -37.726 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.330 5.590 -36.196 1.00 0.00 H new ATOM 0 HG2 MET A 16 38.314 5.327 -38.215 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.774 4.573 -38.822 1.00 0.00 H new ATOM 0 HE1 MET A 16 40.656 1.834 -37.321 1.00 0.00 H new ATOM 0 HE2 MET A 16 41.320 3.474 -37.124 1.00 0.00 H new ATOM 0 HE3 MET A 16 40.812 2.542 -35.696 1.00 0.00 H new ATOM 223 N GLN A 17 38.714 8.902 -35.438 1.00 0.00 N ATOM 224 CA GLN A 17 38.403 9.388 -34.095 1.00 0.00 C ATOM 225 C GLN A 17 37.884 8.262 -33.214 1.00 0.00 C ATOM 226 O GLN A 17 37.283 7.302 -33.697 1.00 0.00 O ATOM 227 CB GLN A 17 37.367 10.517 -34.141 1.00 0.00 C ATOM 228 CG GLN A 17 37.382 11.320 -35.429 1.00 0.00 C ATOM 229 CD GLN A 17 36.317 12.400 -35.458 1.00 0.00 C ATOM 230 OE1 GLN A 17 35.693 12.645 -36.491 1.00 0.00 O ATOM 231 NE2 GLN A 17 36.102 13.053 -34.321 1.00 0.00 N ATOM 0 H GLN A 17 38.583 9.596 -36.174 1.00 0.00 H new ATOM 0 HA GLN A 17 39.329 9.775 -33.670 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.374 10.090 -34.003 1.00 0.00 H new ATOM 0 HB3 GLN A 17 37.543 11.191 -33.303 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.363 11.779 -35.555 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.234 10.647 -36.274 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.642 12.818 -33.488 1.00 0.00 H new ATOM 0 HE22 GLN A 17 35.397 13.789 -34.281 1.00 0.00 H new ATOM 240 N TRP A 18 38.120 8.389 -31.917 1.00 0.00 N ATOM 241 CA TRP A 18 37.680 7.384 -30.959 1.00 0.00 C ATOM 242 C TRP A 18 37.489 7.997 -29.576 1.00 0.00 C ATOM 243 O TRP A 18 37.632 9.207 -29.397 1.00 0.00 O ATOM 244 CB TRP A 18 38.693 6.240 -30.891 1.00 0.00 C ATOM 245 CG TRP A 18 39.965 6.614 -30.193 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.226 6.511 -28.857 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.149 7.152 -30.795 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.499 6.951 -28.590 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.087 7.350 -29.763 1.00 0.00 C ATOM 250 CE3 TRP A 18 41.509 7.485 -32.104 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.360 7.867 -30.002 1.00 0.00 C ATOM 252 CZ3 TRP A 18 42.772 7.996 -32.338 1.00 0.00 C ATOM 253 CH2 TRP A 18 43.683 8.182 -31.292 1.00 0.00 C ATOM 0 H TRP A 18 38.614 9.179 -31.502 1.00 0.00 H new ATOM 0 HA TRP A 18 36.721 6.991 -31.295 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.240 5.393 -30.376 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.926 5.910 -31.903 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.532 6.138 -28.118 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.936 6.977 -27.669 1.00 0.00 H new ATOM 0 HE3 TRP A 18 40.813 7.346 -32.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.065 8.013 -29.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 43.061 8.256 -33.346 1.00 0.00 H new ATOM 0 HH2 TRP A 18 44.662 8.583 -31.509 1.00 0.00 H new ATOM 264 N LEU A 19 37.167 7.156 -28.599 1.00 0.00 N ATOM 265 CA LEU A 19 36.956 7.620 -27.235 1.00 0.00 C ATOM 266 C LEU A 19 37.650 6.704 -26.233 1.00 0.00 C ATOM 267 O LEU A 19 37.728 5.492 -26.432 1.00 0.00 O ATOM 268 CB LEU A 19 35.459 7.701 -26.925 1.00 0.00 C ATOM 269 CG LEU A 19 35.113 8.254 -25.540 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.860 9.752 -25.609 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.903 7.531 -24.966 1.00 0.00 C ATOM 0 H LEU A 19 37.047 6.151 -28.727 1.00 0.00 H new ATOM 0 HA LEU A 19 37.390 8.616 -27.146 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.981 8.326 -27.679 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.030 6.704 -27.019 1.00 0.00 H new ATOM 0 HG LEU A 19 35.962 8.082 -24.878 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.616 10.126 -24.615 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.754 10.255 -25.976 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.028 9.950 -26.285 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.670 7.936 -23.981 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.048 7.671 -25.627 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.123 6.467 -24.878 1.00 0.00 H new ATOM 283 N LYS A 20 38.156 7.297 -25.157 1.00 0.00 N ATOM 284 CA LYS A 20 38.849 6.541 -24.119 1.00 0.00 C ATOM 285 C LYS A 20 38.413 6.990 -22.727 1.00 0.00 C ATOM 286 O LYS A 20 37.593 7.896 -22.583 1.00 0.00 O ATOM 287 CB LYS A 20 40.362 6.706 -24.267 1.00 0.00 C ATOM 288 CG LYS A 20 40.893 7.996 -23.666 1.00 0.00 C ATOM 289 CD LYS A 20 42.406 7.966 -23.526 1.00 0.00 C ATOM 290 CE LYS A 20 42.849 6.974 -22.463 1.00 0.00 C ATOM 291 NZ LYS A 20 43.893 6.043 -22.971 1.00 0.00 N ATOM 0 H LYS A 20 38.099 8.300 -24.980 1.00 0.00 H new ATOM 0 HA LYS A 20 38.588 5.490 -24.238 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.860 5.861 -23.791 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.621 6.674 -25.325 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.602 8.838 -24.294 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.439 8.156 -22.688 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.855 7.700 -24.483 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.768 8.961 -23.269 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.235 7.516 -21.600 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.988 6.401 -22.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.167 5.383 -22.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.517 5.507 -23.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.726 6.587 -23.274 1.00 0.00 H new ATOM 305 N THR A 21 38.970 6.344 -21.706 1.00 0.00 N ATOM 306 CA THR A 21 38.645 6.669 -20.323 1.00 0.00 C ATOM 307 C THR A 21 39.874 6.543 -19.427 1.00 0.00 C ATOM 308 O THR A 21 40.957 6.187 -19.891 1.00 0.00 O ATOM 309 CB THR A 21 37.532 5.753 -19.782 1.00 0.00 C ATOM 310 OG1 THR A 21 37.520 5.785 -18.350 1.00 0.00 O ATOM 311 CG2 THR A 21 37.733 4.323 -20.259 1.00 0.00 C ATOM 0 H THR A 21 39.650 5.591 -21.812 1.00 0.00 H new ATOM 0 HA THR A 21 38.295 7.701 -20.311 1.00 0.00 H new ATOM 0 HB THR A 21 36.577 6.117 -20.160 1.00 0.00 H new ATOM 0 HG1 THR A 21 36.646 6.100 -18.037 1.00 0.00 H new ATOM 0 HG21 THR A 21 36.936 3.693 -19.865 1.00 0.00 H new ATOM 0 HG22 THR A 21 37.712 4.297 -21.348 1.00 0.00 H new ATOM 0 HG23 THR A 21 38.696 3.953 -19.906 1.00 0.00 H new ATOM 319 N GLN A 22 39.699 6.839 -18.142 1.00 0.00 N ATOM 320 CA GLN A 22 40.796 6.760 -17.184 1.00 0.00 C ATOM 321 C GLN A 22 40.472 5.783 -16.057 1.00 0.00 C ATOM 322 O GLN A 22 40.951 5.937 -14.934 1.00 0.00 O ATOM 323 CB GLN A 22 41.095 8.143 -16.604 1.00 0.00 C ATOM 324 CG GLN A 22 41.502 9.167 -17.650 1.00 0.00 C ATOM 325 CD GLN A 22 42.978 9.098 -17.989 1.00 0.00 C ATOM 326 OE1 GLN A 22 43.515 8.024 -18.261 1.00 0.00 O ATOM 327 NE2 GLN A 22 43.644 10.246 -17.971 1.00 0.00 N ATOM 0 H GLN A 22 38.809 7.135 -17.741 1.00 0.00 H new ATOM 0 HA GLN A 22 41.677 6.395 -17.712 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.212 8.505 -16.077 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.892 8.054 -15.866 1.00 0.00 H new ATOM 0 HG2 GLN A 22 40.917 9.008 -18.556 1.00 0.00 H new ATOM 0 HG3 GLN A 22 41.263 10.167 -17.287 1.00 0.00 H new ATOM 0 HE21 GLN A 22 43.159 11.113 -17.740 1.00 0.00 H new ATOM 0 HE22 GLN A 22 44.641 10.261 -18.188 1.00 0.00 H new ATOM 336 N GLY A 23 39.661 4.777 -16.365 1.00 0.00 N ATOM 337 CA GLY A 23 39.293 3.789 -15.367 1.00 0.00 C ATOM 338 C GLY A 23 38.370 4.354 -14.304 1.00 0.00 C ATOM 339 O GLY A 23 38.346 3.870 -13.172 1.00 0.00 O ATOM 0 H GLY A 23 39.252 4.628 -17.287 1.00 0.00 H new ATOM 0 HA2 GLY A 23 38.805 2.946 -15.857 1.00 0.00 H new ATOM 0 HA3 GLY A 23 40.195 3.403 -14.893 1.00 0.00 H new ATOM 343 N ASN A 24 37.609 5.378 -14.670 1.00 0.00 N ATOM 344 CA ASN A 24 36.679 6.013 -13.742 1.00 0.00 C ATOM 345 C ASN A 24 35.871 7.092 -14.452 1.00 0.00 C ATOM 346 O ASN A 24 34.689 7.288 -14.169 1.00 0.00 O ATOM 347 CB ASN A 24 37.438 6.618 -12.561 1.00 0.00 C ATOM 348 CG ASN A 24 36.508 7.145 -11.485 1.00 0.00 C ATOM 349 OD1 ASN A 24 36.622 8.294 -11.059 1.00 0.00 O ATOM 350 ND2 ASN A 24 35.582 6.304 -11.040 1.00 0.00 N ATOM 0 H ASN A 24 37.617 5.788 -15.604 1.00 0.00 H new ATOM 0 HA ASN A 24 35.993 5.253 -13.368 1.00 0.00 H new ATOM 0 HB2 ASN A 24 38.096 5.863 -12.131 1.00 0.00 H new ATOM 0 HB3 ASN A 24 38.073 7.429 -12.918 1.00 0.00 H new ATOM 0 HD21 ASN A 24 34.928 6.602 -10.316 1.00 0.00 H new ATOM 0 HD22 ASN A 24 35.524 5.360 -11.422 1.00 0.00 H new ATOM 357 N LYS A 25 36.519 7.787 -15.379 1.00 0.00 N ATOM 358 CA LYS A 25 35.869 8.845 -16.142 1.00 0.00 C ATOM 359 C LYS A 25 35.922 8.531 -17.634 1.00 0.00 C ATOM 360 O LYS A 25 35.846 7.369 -18.031 1.00 0.00 O ATOM 361 CB LYS A 25 36.537 10.191 -15.853 1.00 0.00 C ATOM 362 CG LYS A 25 37.882 10.362 -16.536 1.00 0.00 C ATOM 363 CD LYS A 25 38.923 10.924 -15.581 1.00 0.00 C ATOM 364 CE LYS A 25 39.183 12.397 -15.844 1.00 0.00 C ATOM 365 NZ LYS A 25 40.632 12.680 -16.030 1.00 0.00 N ATOM 0 H LYS A 25 37.498 7.636 -15.621 1.00 0.00 H new ATOM 0 HA LYS A 25 34.824 8.904 -15.839 1.00 0.00 H new ATOM 0 HB2 LYS A 25 35.872 10.993 -16.173 1.00 0.00 H new ATOM 0 HB3 LYS A 25 36.670 10.297 -14.776 1.00 0.00 H new ATOM 0 HG2 LYS A 25 38.221 9.400 -16.921 1.00 0.00 H new ATOM 0 HG3 LYS A 25 37.775 11.028 -17.392 1.00 0.00 H new ATOM 0 HD2 LYS A 25 38.585 10.791 -14.553 1.00 0.00 H new ATOM 0 HD3 LYS A 25 39.853 10.365 -15.685 1.00 0.00 H new ATOM 0 HE2 LYS A 25 38.635 12.709 -16.733 1.00 0.00 H new ATOM 0 HE3 LYS A 25 38.802 12.987 -15.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 40.787 13.708 -16.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 41.172 12.255 -15.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 40.952 12.275 -16.933 1.00 0.00 H new ATOM 379 N GLN A 26 36.051 9.564 -18.464 1.00 0.00 N ATOM 380 CA GLN A 26 36.113 9.367 -19.906 1.00 0.00 C ATOM 381 C GLN A 26 37.044 10.383 -20.562 1.00 0.00 C ATOM 382 O GLN A 26 37.571 11.278 -19.903 1.00 0.00 O ATOM 383 CB GLN A 26 34.717 9.464 -20.518 1.00 0.00 C ATOM 384 CG GLN A 26 33.838 8.262 -20.216 1.00 0.00 C ATOM 385 CD GLN A 26 32.881 8.515 -19.068 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.960 7.865 -18.024 1.00 0.00 O ATOM 387 NE2 GLN A 26 31.969 9.462 -19.254 1.00 0.00 N ATOM 0 H GLN A 26 36.114 10.537 -18.164 1.00 0.00 H new ATOM 0 HA GLN A 26 36.513 8.370 -20.090 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.228 10.364 -20.146 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.809 9.574 -21.598 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.269 7.999 -21.108 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.469 7.406 -19.977 1.00 0.00 H new ATOM 0 HE21 GLN A 26 31.940 9.976 -20.135 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.298 9.676 -18.516 1.00 0.00 H new ATOM 396 N MET A 27 37.237 10.229 -21.867 1.00 0.00 N ATOM 397 CA MET A 27 38.102 11.118 -22.633 1.00 0.00 C ATOM 398 C MET A 27 38.064 10.741 -24.109 1.00 0.00 C ATOM 399 O MET A 27 38.497 9.655 -24.489 1.00 0.00 O ATOM 400 CB MET A 27 39.538 11.043 -22.110 1.00 0.00 C ATOM 401 CG MET A 27 40.160 12.402 -21.838 1.00 0.00 C ATOM 402 SD MET A 27 41.787 12.584 -22.594 1.00 0.00 S ATOM 403 CE MET A 27 42.075 14.336 -22.363 1.00 0.00 C ATOM 0 H MET A 27 36.802 9.491 -22.420 1.00 0.00 H new ATOM 0 HA MET A 27 37.741 12.140 -22.519 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.551 10.457 -21.191 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.152 10.511 -22.836 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.499 13.182 -22.215 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.245 12.550 -20.761 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.133 14.554 -22.512 1.00 0.00 H new ATOM 0 HE2 MET A 27 41.483 14.900 -23.084 1.00 0.00 H new ATOM 0 HE3 MET A 27 41.785 14.622 -21.352 1.00 0.00 H new ATOM 413 N LEU A 28 37.538 11.636 -24.937 1.00 0.00 N ATOM 414 CA LEU A 28 37.441 11.377 -26.370 1.00 0.00 C ATOM 415 C LEU A 28 38.747 11.710 -27.074 1.00 0.00 C ATOM 416 O LEU A 28 39.172 12.861 -27.090 1.00 0.00 O ATOM 417 CB LEU A 28 36.300 12.188 -26.984 1.00 0.00 C ATOM 418 CG LEU A 28 36.194 12.085 -28.504 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.824 11.564 -28.912 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.466 13.435 -29.150 1.00 0.00 C ATOM 0 H LEU A 28 37.174 12.543 -24.644 1.00 0.00 H new ATOM 0 HA LEU A 28 37.236 10.315 -26.504 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.359 11.858 -26.544 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.429 13.236 -26.712 1.00 0.00 H new ATOM 0 HG LEU A 28 36.947 11.378 -28.853 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.769 11.498 -29.999 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.667 10.576 -28.480 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.053 12.245 -28.550 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.386 13.343 -30.233 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.737 14.163 -28.793 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.470 13.768 -28.887 1.00 0.00 H new ATOM 432 N CYS A 29 39.378 10.692 -27.654 1.00 0.00 N ATOM 433 CA CYS A 29 40.642 10.876 -28.360 1.00 0.00 C ATOM 434 C CYS A 29 40.440 10.829 -29.872 1.00 0.00 C ATOM 435 O CYS A 29 39.676 10.007 -30.381 1.00 0.00 O ATOM 436 CB CYS A 29 41.640 9.793 -27.941 1.00 0.00 C ATOM 437 SG CYS A 29 42.675 10.238 -26.508 1.00 0.00 S ATOM 0 H CYS A 29 39.034 9.732 -27.649 1.00 0.00 H new ATOM 0 HA CYS A 29 41.036 11.857 -28.095 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.091 8.881 -27.708 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.289 9.567 -28.787 1.00 0.00 H new ATOM 442 N THR A 30 41.135 11.709 -30.586 1.00 0.00 N ATOM 443 CA THR A 30 41.039 11.762 -32.041 1.00 0.00 C ATOM 444 C THR A 30 42.398 12.021 -32.673 1.00 0.00 C ATOM 445 O THR A 30 43.274 12.630 -32.060 1.00 0.00 O ATOM 446 CB THR A 30 40.072 12.860 -32.520 1.00 0.00 C ATOM 447 OG1 THR A 30 38.770 12.653 -31.959 1.00 0.00 O ATOM 448 CG2 THR A 30 39.982 12.870 -34.043 1.00 0.00 C ATOM 0 H THR A 30 41.771 12.396 -30.181 1.00 0.00 H new ATOM 0 HA THR A 30 40.659 10.789 -32.352 1.00 0.00 H new ATOM 0 HB THR A 30 40.456 13.824 -32.185 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.164 13.358 -32.269 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.294 13.653 -34.362 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.969 13.061 -34.465 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.619 11.903 -34.392 1.00 0.00 H new ATOM 456 N CYS A 31 42.560 11.570 -33.909 1.00 0.00 N ATOM 457 CA CYS A 31 43.804 11.771 -34.632 1.00 0.00 C ATOM 458 C CYS A 31 43.563 12.622 -35.869 1.00 0.00 C ATOM 459 O CYS A 31 42.952 12.174 -36.839 1.00 0.00 O ATOM 460 CB CYS A 31 44.425 10.431 -35.025 1.00 0.00 C ATOM 461 SG CYS A 31 43.238 9.208 -35.660 1.00 0.00 S ATOM 0 H CYS A 31 41.845 11.063 -34.430 1.00 0.00 H new ATOM 0 HA CYS A 31 44.501 12.293 -33.976 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.187 10.607 -35.784 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.931 10.010 -34.156 1.00 0.00 H new ATOM 466 N LEU A 32 44.039 13.858 -35.820 1.00 0.00 N ATOM 467 CA LEU A 32 43.870 14.788 -36.930 1.00 0.00 C ATOM 468 C LEU A 32 44.879 14.503 -38.036 1.00 0.00 C ATOM 469 O LEU A 32 44.588 13.771 -38.982 1.00 0.00 O ATOM 470 CB LEU A 32 44.017 16.235 -36.446 1.00 0.00 C ATOM 471 CG LEU A 32 44.871 16.419 -35.189 1.00 0.00 C ATOM 472 CD1 LEU A 32 45.619 17.741 -35.238 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.003 16.337 -33.941 1.00 0.00 C ATOM 0 H LEU A 32 44.546 14.242 -35.023 1.00 0.00 H new ATOM 0 HA LEU A 32 42.867 14.651 -37.333 1.00 0.00 H new ATOM 0 HB2 LEU A 32 44.451 16.828 -37.251 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.023 16.639 -36.253 1.00 0.00 H new ATOM 0 HG LEU A 32 45.606 15.615 -35.150 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.220 17.853 -34.336 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.270 17.759 -36.112 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.904 18.561 -35.302 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.625 16.470 -33.056 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.245 17.120 -33.973 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.516 15.363 -33.900 1.00 0.00 H new ATOM 485 N GLY A 33 46.065 15.084 -37.912 1.00 0.00 N ATOM 486 CA GLY A 33 47.098 14.877 -38.910 1.00 0.00 C ATOM 487 C GLY A 33 48.492 14.971 -38.326 1.00 0.00 C ATOM 488 O GLY A 33 49.368 14.172 -38.659 1.00 0.00 O ATOM 0 H GLY A 33 46.331 15.694 -37.139 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.965 13.897 -39.369 1.00 0.00 H new ATOM 0 HA3 GLY A 33 46.988 15.618 -39.702 1.00 0.00 H new ATOM 492 N ASN A 34 48.697 15.948 -37.453 1.00 0.00 N ATOM 493 CA ASN A 34 49.993 16.147 -36.818 1.00 0.00 C ATOM 494 C ASN A 34 50.114 15.302 -35.553 1.00 0.00 C ATOM 495 O ASN A 34 51.219 15.026 -35.084 1.00 0.00 O ATOM 496 CB ASN A 34 50.197 17.624 -36.481 1.00 0.00 C ATOM 497 CG ASN A 34 49.041 18.200 -35.688 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.018 18.588 -36.251 1.00 0.00 O ATOM 499 ND2 ASN A 34 49.199 18.259 -34.371 1.00 0.00 N ATOM 0 H ASN A 34 47.981 16.616 -37.168 1.00 0.00 H new ATOM 0 HA ASN A 34 50.766 15.832 -37.519 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.119 17.740 -35.911 1.00 0.00 H new ATOM 0 HB3 ASN A 34 50.319 18.191 -37.404 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.455 18.637 -33.785 1.00 0.00 H new ATOM 0 HD22 ASN A 34 50.064 17.926 -33.946 1.00 0.00 H new ATOM 506 N GLY A 35 48.973 14.893 -35.006 1.00 0.00 N ATOM 507 CA GLY A 35 48.979 14.084 -33.801 1.00 0.00 C ATOM 508 C GLY A 35 47.593 13.614 -33.401 1.00 0.00 C ATOM 509 O GLY A 35 46.737 13.384 -34.256 1.00 0.00 O ATOM 0 H GLY A 35 48.046 15.107 -35.375 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.621 13.217 -33.954 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.412 14.661 -32.984 1.00 0.00 H new ATOM 513 N VAL A 36 47.374 13.472 -32.097 1.00 0.00 N ATOM 514 CA VAL A 36 46.086 13.027 -31.578 1.00 0.00 C ATOM 515 C VAL A 36 45.604 13.952 -30.461 1.00 0.00 C ATOM 516 O VAL A 36 46.244 14.065 -29.416 1.00 0.00 O ATOM 517 CB VAL A 36 46.165 11.568 -31.056 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.108 11.295 -29.992 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.024 10.585 -32.205 1.00 0.00 C ATOM 0 H VAL A 36 48.074 13.659 -31.379 1.00 0.00 H new ATOM 0 HA VAL A 36 45.371 13.062 -32.400 1.00 0.00 H new ATOM 0 HB VAL A 36 47.143 11.435 -30.594 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.194 10.264 -29.650 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.257 11.970 -29.149 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.116 11.456 -30.415 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.082 9.566 -31.821 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.062 10.734 -32.695 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.827 10.748 -32.924 1.00 0.00 H new ATOM 529 N SER A 37 44.469 14.602 -30.690 1.00 0.00 N ATOM 530 CA SER A 37 43.894 15.510 -29.705 1.00 0.00 C ATOM 531 C SER A 37 42.620 14.918 -29.114 1.00 0.00 C ATOM 532 O SER A 37 41.713 14.522 -29.845 1.00 0.00 O ATOM 533 CB SER A 37 43.593 16.868 -30.342 1.00 0.00 C ATOM 534 OG SER A 37 43.750 17.918 -29.404 1.00 0.00 O ATOM 0 H SER A 37 43.928 14.517 -31.551 1.00 0.00 H new ATOM 0 HA SER A 37 44.620 15.651 -28.904 1.00 0.00 H new ATOM 0 HB2 SER A 37 44.259 17.031 -31.190 1.00 0.00 H new ATOM 0 HB3 SER A 37 42.575 16.873 -30.731 1.00 0.00 H new ATOM 0 HG SER A 37 43.554 18.775 -29.837 1.00 0.00 H new ATOM 540 N CYS A 38 42.558 14.853 -27.788 1.00 0.00 N ATOM 541 CA CYS A 38 41.393 14.298 -27.114 1.00 0.00 C ATOM 542 C CYS A 38 40.678 15.352 -26.275 1.00 0.00 C ATOM 543 O CYS A 38 41.113 16.501 -26.195 1.00 0.00 O ATOM 544 CB CYS A 38 41.804 13.122 -26.227 1.00 0.00 C ATOM 545 SG CYS A 38 43.209 12.161 -26.871 1.00 0.00 S ATOM 0 H CYS A 38 43.297 15.176 -27.163 1.00 0.00 H new ATOM 0 HA CYS A 38 40.702 13.949 -27.882 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.059 13.499 -25.237 1.00 0.00 H new ATOM 0 HB3 CYS A 38 40.949 12.457 -26.104 1.00 0.00 H new ATOM 550 N GLN A 39 39.577 14.946 -25.649 1.00 0.00 N ATOM 551 CA GLN A 39 38.793 15.843 -24.809 1.00 0.00 C ATOM 552 C GLN A 39 38.617 15.256 -23.413 1.00 0.00 C ATOM 553 O GLN A 39 37.992 14.208 -23.243 1.00 0.00 O ATOM 554 CB GLN A 39 37.425 16.103 -25.441 1.00 0.00 C ATOM 555 CG GLN A 39 37.319 17.452 -26.133 1.00 0.00 C ATOM 556 CD GLN A 39 36.373 18.400 -25.421 1.00 0.00 C ATOM 557 OE1 GLN A 39 35.702 19.216 -26.053 1.00 0.00 O ATOM 558 NE2 GLN A 39 36.317 18.297 -24.099 1.00 0.00 N ATOM 0 H GLN A 39 39.207 13.997 -25.709 1.00 0.00 H new ATOM 0 HA GLN A 39 39.330 16.788 -24.725 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.213 15.316 -26.164 1.00 0.00 H new ATOM 0 HB3 GLN A 39 36.659 16.040 -24.668 1.00 0.00 H new ATOM 0 HG2 GLN A 39 38.308 17.906 -26.189 1.00 0.00 H new ATOM 0 HG3 GLN A 39 36.977 17.305 -27.157 1.00 0.00 H new ATOM 0 HE21 GLN A 39 36.891 17.606 -23.617 1.00 0.00 H new ATOM 0 HE22 GLN A 39 35.700 18.909 -23.565 1.00 0.00 H new ATOM 567 N GLU A 40 39.175 15.936 -22.417 1.00 0.00 N ATOM 568 CA GLU A 40 39.086 15.483 -21.033 1.00 0.00 C ATOM 569 C GLU A 40 37.634 15.273 -20.616 1.00 0.00 C ATOM 570 O GLU A 40 36.921 16.229 -20.310 1.00 0.00 O ATOM 571 CB GLU A 40 39.752 16.494 -20.098 1.00 0.00 C ATOM 572 CG GLU A 40 39.521 17.942 -20.500 1.00 0.00 C ATOM 573 CD GLU A 40 38.810 18.741 -19.424 1.00 0.00 C ATOM 574 OE1 GLU A 40 39.308 18.768 -18.278 1.00 0.00 O ATOM 575 OE2 GLU A 40 37.756 19.338 -19.726 1.00 0.00 O ATOM 0 H GLU A 40 39.695 16.805 -22.543 1.00 0.00 H new ATOM 0 HA GLU A 40 39.608 14.529 -20.960 1.00 0.00 H new ATOM 0 HB2 GLU A 40 39.376 16.343 -19.086 1.00 0.00 H new ATOM 0 HB3 GLU A 40 40.824 16.300 -20.072 1.00 0.00 H new ATOM 0 HG2 GLU A 40 40.480 18.411 -20.721 1.00 0.00 H new ATOM 0 HG3 GLU A 40 38.933 17.971 -21.417 1.00 0.00 H new ATOM 582 N THR A 41 37.204 14.015 -20.600 1.00 0.00 N ATOM 583 CA THR A 41 35.840 13.677 -20.213 1.00 0.00 C ATOM 584 C THR A 41 34.846 14.030 -21.314 1.00 0.00 C ATOM 585 O THR A 41 34.070 13.183 -21.758 1.00 0.00 O ATOM 586 CB THR A 41 35.433 14.405 -18.919 1.00 0.00 C ATOM 587 OG1 THR A 41 36.418 14.189 -17.901 1.00 0.00 O ATOM 588 CG2 THR A 41 34.076 13.920 -18.430 1.00 0.00 C ATOM 0 H THR A 41 37.782 13.213 -20.851 1.00 0.00 H new ATOM 0 HA THR A 41 35.818 12.600 -20.044 1.00 0.00 H new ATOM 0 HB THR A 41 35.365 15.471 -19.135 1.00 0.00 H new ATOM 0 HG1 THR A 41 36.151 14.657 -17.083 1.00 0.00 H new ATOM 0 HG21 THR A 41 33.809 14.448 -17.515 1.00 0.00 H new ATOM 0 HG22 THR A 41 33.323 14.115 -19.194 1.00 0.00 H new ATOM 0 HG23 THR A 41 34.122 12.849 -18.231 1.00 0.00 H new ATOM 596 N ALA A 42 34.873 15.284 -21.748 1.00 0.00 N ATOM 597 CA ALA A 42 33.971 15.751 -22.793 1.00 0.00 C ATOM 598 C ALA A 42 32.596 16.079 -22.222 1.00 0.00 C ATOM 599 O ALA A 42 31.755 15.196 -22.054 1.00 0.00 O ATOM 600 CB ALA A 42 33.853 14.709 -23.893 1.00 0.00 C ATOM 0 H ALA A 42 35.510 15.996 -21.392 1.00 0.00 H new ATOM 0 HA ALA A 42 34.387 16.664 -23.218 1.00 0.00 H new ATOM 0 HB1 ALA A 42 33.176 15.072 -24.667 1.00 0.00 H new ATOM 0 HB2 ALA A 42 34.836 14.526 -24.328 1.00 0.00 H new ATOM 0 HB3 ALA A 42 33.462 13.781 -23.475 1.00 0.00 H new ATOM 606 N VAL A 43 32.376 17.356 -21.924 1.00 0.00 N ATOM 607 CA VAL A 43 31.103 17.805 -21.369 1.00 0.00 C ATOM 608 C VAL A 43 30.711 19.170 -21.925 1.00 0.00 C ATOM 609 O VAL A 43 31.173 19.572 -22.994 1.00 0.00 O ATOM 610 CB VAL A 43 31.153 17.880 -19.831 1.00 0.00 C ATOM 611 CG1 VAL A 43 31.805 16.632 -19.255 1.00 0.00 C ATOM 612 CG2 VAL A 43 31.891 19.132 -19.379 1.00 0.00 C ATOM 0 H VAL A 43 33.063 18.098 -22.057 1.00 0.00 H new ATOM 0 HA VAL A 43 30.354 17.069 -21.662 1.00 0.00 H new ATOM 0 HB VAL A 43 30.131 17.934 -19.457 1.00 0.00 H new ATOM 0 HG11 VAL A 43 31.831 16.704 -18.168 1.00 0.00 H new ATOM 0 HG12 VAL A 43 31.230 15.753 -19.547 1.00 0.00 H new ATOM 0 HG13 VAL A 43 32.822 16.543 -19.637 1.00 0.00 H new ATOM 0 HG21 VAL A 43 31.916 19.167 -18.290 1.00 0.00 H new ATOM 0 HG22 VAL A 43 32.910 19.113 -19.764 1.00 0.00 H new ATOM 0 HG23 VAL A 43 31.376 20.015 -19.759 1.00 0.00 H new ATOM 622 N THR A 44 29.856 19.880 -21.195 1.00 0.00 N ATOM 623 CA THR A 44 29.401 21.200 -21.618 1.00 0.00 C ATOM 624 C THR A 44 28.572 21.871 -20.529 1.00 0.00 C ATOM 625 O THR A 44 28.249 21.256 -19.513 1.00 0.00 O ATOM 626 CB THR A 44 28.559 21.118 -22.904 1.00 0.00 C ATOM 627 OG1 THR A 44 27.928 22.380 -23.159 1.00 0.00 O ATOM 628 CG2 THR A 44 27.504 20.027 -22.789 1.00 0.00 C ATOM 0 H THR A 44 29.464 19.563 -20.308 1.00 0.00 H new ATOM 0 HA THR A 44 30.294 21.794 -21.812 1.00 0.00 H new ATOM 0 HB THR A 44 29.222 20.873 -23.734 1.00 0.00 H new ATOM 0 HG1 THR A 44 27.694 22.443 -24.109 1.00 0.00 H new ATOM 0 HG21 THR A 44 26.921 19.987 -23.709 1.00 0.00 H new ATOM 0 HG22 THR A 44 27.991 19.066 -22.626 1.00 0.00 H new ATOM 0 HG23 THR A 44 26.844 20.246 -21.950 1.00 0.00 H new ATOM 636 N GLN A 45 28.226 23.135 -20.750 1.00 0.00 N ATOM 637 CA GLN A 45 27.429 23.888 -19.788 1.00 0.00 C ATOM 638 C GLN A 45 25.939 23.716 -20.066 1.00 0.00 C ATOM 639 O GLN A 45 25.134 23.612 -19.143 1.00 0.00 O ATOM 640 CB GLN A 45 27.802 25.371 -19.834 1.00 0.00 C ATOM 641 CG GLN A 45 29.225 25.655 -19.386 1.00 0.00 C ATOM 642 CD GLN A 45 29.342 25.810 -17.883 1.00 0.00 C ATOM 643 OE1 GLN A 45 29.022 24.894 -17.125 1.00 0.00 O ATOM 644 NE2 GLN A 45 29.801 26.976 -17.443 1.00 0.00 N ATOM 0 H GLN A 45 28.485 23.659 -21.586 1.00 0.00 H new ATOM 0 HA GLN A 45 27.642 23.499 -18.792 1.00 0.00 H new ATOM 0 HB2 GLN A 45 27.670 25.739 -20.852 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.113 25.930 -19.201 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.875 24.844 -19.716 1.00 0.00 H new ATOM 0 HG3 GLN A 45 29.580 26.565 -19.870 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.054 27.708 -18.107 1.00 0.00 H new ATOM 0 HE22 GLN A 45 29.900 27.140 -16.441 1.00 0.00 H new ATOM 653 N THR A 46 25.583 23.685 -21.347 1.00 0.00 N ATOM 654 CA THR A 46 24.191 23.522 -21.754 1.00 0.00 C ATOM 655 C THR A 46 23.309 24.616 -21.161 1.00 0.00 C ATOM 656 O THR A 46 23.401 24.929 -19.974 1.00 0.00 O ATOM 657 CB THR A 46 23.639 22.146 -21.337 1.00 0.00 C ATOM 658 OG1 THR A 46 24.310 21.683 -20.160 1.00 0.00 O ATOM 659 CG2 THR A 46 23.816 21.132 -22.459 1.00 0.00 C ATOM 0 H THR A 46 26.240 23.771 -22.122 1.00 0.00 H new ATOM 0 HA THR A 46 24.171 23.597 -22.841 1.00 0.00 H new ATOM 0 HB THR A 46 22.575 22.254 -21.128 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.210 22.345 -19.445 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.419 20.167 -22.143 1.00 0.00 H new ATOM 0 HG22 THR A 46 23.280 21.472 -23.345 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.876 21.030 -22.693 1.00 0.00 H new ATOM 667 N TYR A 47 22.455 25.194 -22.000 1.00 0.00 N ATOM 668 CA TYR A 47 21.556 26.256 -21.566 1.00 0.00 C ATOM 669 C TYR A 47 20.275 26.263 -22.394 1.00 0.00 C ATOM 670 O TYR A 47 20.319 26.231 -23.624 1.00 0.00 O ATOM 671 CB TYR A 47 22.251 27.614 -21.676 1.00 0.00 C ATOM 672 CG TYR A 47 22.685 27.961 -23.084 1.00 0.00 C ATOM 673 CD1 TYR A 47 21.764 28.408 -24.023 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.013 27.841 -23.473 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.154 28.726 -25.312 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.411 28.157 -24.759 1.00 0.00 C ATOM 677 CZ TYR A 47 23.479 28.598 -25.674 1.00 0.00 C ATOM 678 OH TYR A 47 23.870 28.913 -26.955 1.00 0.00 O ATOM 0 H TYR A 47 22.367 24.944 -22.985 1.00 0.00 H new ATOM 0 HA TYR A 47 21.292 26.069 -20.525 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.576 28.389 -21.312 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.124 27.620 -21.024 1.00 0.00 H new ATOM 0 HD1 TYR A 47 20.726 28.509 -23.742 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.746 27.495 -22.760 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.426 29.072 -26.030 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.448 28.059 -25.045 1.00 0.00 H new ATOM 0 HH TYR A 47 24.570 28.291 -27.246 1.00 0.00 H new ATOM 688 N GLY A 48 19.136 26.310 -21.711 1.00 0.00 N ATOM 689 CA GLY A 48 17.858 26.326 -22.399 1.00 0.00 C ATOM 690 C GLY A 48 17.668 25.131 -23.312 1.00 0.00 C ATOM 691 O GLY A 48 17.772 23.985 -22.875 1.00 0.00 O ATOM 0 H GLY A 48 19.075 26.337 -20.693 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.054 26.347 -21.663 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.777 27.242 -22.985 1.00 0.00 H new ATOM 695 N GLY A 49 17.386 25.400 -24.583 1.00 0.00 N ATOM 696 CA GLY A 49 17.180 24.329 -25.539 1.00 0.00 C ATOM 697 C GLY A 49 15.762 23.794 -25.507 1.00 0.00 C ATOM 698 O GLY A 49 14.858 24.451 -24.993 1.00 0.00 O ATOM 0 H GLY A 49 17.297 26.341 -24.967 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.407 24.691 -26.542 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.877 23.518 -25.328 1.00 0.00 H new ATOM 702 N ASN A 50 15.568 22.598 -26.052 1.00 0.00 N ATOM 703 CA ASN A 50 14.248 21.979 -26.078 1.00 0.00 C ATOM 704 C ASN A 50 13.812 21.589 -24.671 1.00 0.00 C ATOM 705 O ASN A 50 12.636 21.325 -24.422 1.00 0.00 O ATOM 706 CB ASN A 50 14.254 20.749 -26.986 1.00 0.00 C ATOM 707 CG ASN A 50 13.008 20.659 -27.844 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.959 21.201 -28.948 1.00 0.00 O ATOM 709 ND2 ASN A 50 11.989 19.972 -27.339 1.00 0.00 N ATOM 0 H ASN A 50 16.306 22.039 -26.481 1.00 0.00 H new ATOM 0 HA ASN A 50 13.537 22.704 -26.474 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.133 20.780 -27.629 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.337 19.850 -26.375 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.124 19.878 -27.871 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.072 19.538 -26.420 1.00 0.00 H new ATOM 716 N SER A 51 14.773 21.555 -23.753 1.00 0.00 N ATOM 717 CA SER A 51 14.498 21.200 -22.368 1.00 0.00 C ATOM 718 C SER A 51 14.739 22.389 -21.446 1.00 0.00 C ATOM 719 O SER A 51 13.801 23.077 -21.043 1.00 0.00 O ATOM 720 CB SER A 51 15.372 20.020 -21.941 1.00 0.00 C ATOM 721 OG SER A 51 15.129 19.664 -20.590 1.00 0.00 O ATOM 0 H SER A 51 15.751 21.770 -23.946 1.00 0.00 H new ATOM 0 HA SER A 51 13.450 20.912 -22.292 1.00 0.00 H new ATOM 0 HB2 SER A 51 15.173 19.165 -22.587 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.423 20.278 -22.068 1.00 0.00 H new ATOM 0 HG SER A 51 15.699 18.906 -20.344 1.00 0.00 H new ATOM 727 N ASN A 52 16.004 22.625 -21.120 1.00 0.00 N ATOM 728 CA ASN A 52 16.379 23.732 -20.248 1.00 0.00 C ATOM 729 C ASN A 52 17.873 23.696 -19.942 1.00 0.00 C ATOM 730 O ASN A 52 18.502 24.734 -19.741 1.00 0.00 O ATOM 731 CB ASN A 52 15.581 23.680 -18.944 1.00 0.00 C ATOM 732 CG ASN A 52 15.309 25.060 -18.378 1.00 0.00 C ATOM 733 OD1 ASN A 52 15.616 26.072 -19.006 1.00 0.00 O ATOM 734 ND2 ASN A 52 14.732 25.106 -17.183 1.00 0.00 N ATOM 0 H ASN A 52 16.790 22.063 -21.447 1.00 0.00 H new ATOM 0 HA ASN A 52 16.150 24.663 -20.767 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.634 23.170 -19.121 1.00 0.00 H new ATOM 0 HB3 ASN A 52 16.129 23.090 -18.209 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.526 26.006 -16.750 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.494 24.241 -16.698 1.00 0.00 H new ATOM 741 N GLY A 53 18.434 22.491 -19.908 1.00 0.00 N ATOM 742 CA GLY A 53 19.848 22.337 -19.626 1.00 0.00 C ATOM 743 C GLY A 53 20.123 21.197 -18.666 1.00 0.00 C ATOM 744 O GLY A 53 20.674 21.405 -17.586 1.00 0.00 O ATOM 0 H GLY A 53 17.933 21.618 -20.071 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.385 22.161 -20.558 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.235 23.265 -19.205 1.00 0.00 H new ATOM 748 N GLU A 54 19.736 19.989 -19.062 1.00 0.00 N ATOM 749 CA GLU A 54 19.939 18.811 -18.228 1.00 0.00 C ATOM 750 C GLU A 54 21.154 18.014 -18.692 1.00 0.00 C ATOM 751 O GLU A 54 21.727 18.289 -19.746 1.00 0.00 O ATOM 752 CB GLU A 54 18.695 17.923 -18.252 1.00 0.00 C ATOM 753 CG GLU A 54 17.645 18.323 -17.228 1.00 0.00 C ATOM 754 CD GLU A 54 17.463 17.281 -16.142 1.00 0.00 C ATOM 755 OE1 GLU A 54 16.810 16.252 -16.410 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.973 17.497 -15.022 1.00 0.00 O ATOM 0 H GLU A 54 19.280 19.801 -19.955 1.00 0.00 H new ATOM 0 HA GLU A 54 20.118 19.149 -17.207 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.252 17.958 -19.247 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.992 16.890 -18.072 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.930 19.271 -16.772 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.693 18.486 -17.734 1.00 0.00 H new ATOM 763 N PRO A 55 21.561 17.012 -17.900 1.00 0.00 N ATOM 764 CA PRO A 55 22.714 16.164 -18.219 1.00 0.00 C ATOM 765 C PRO A 55 22.556 15.455 -19.560 1.00 0.00 C ATOM 766 O PRO A 55 21.771 14.516 -19.688 1.00 0.00 O ATOM 767 CB PRO A 55 22.740 15.141 -17.077 1.00 0.00 C ATOM 768 CG PRO A 55 21.968 15.775 -15.970 1.00 0.00 C ATOM 769 CD PRO A 55 20.926 16.630 -16.630 1.00 0.00 C ATOM 0 HA PRO A 55 23.631 16.746 -18.306 1.00 0.00 H new ATOM 0 HB2 PRO A 55 22.288 14.197 -17.383 1.00 0.00 H new ATOM 0 HB3 PRO A 55 23.762 14.920 -16.769 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.507 15.020 -15.333 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.619 16.374 -15.334 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.998 16.081 -16.793 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.678 17.502 -16.025 1.00 0.00 H new ATOM 777 N CYS A 56 23.311 15.908 -20.556 1.00 0.00 N ATOM 778 CA CYS A 56 23.255 15.314 -21.886 1.00 0.00 C ATOM 779 C CYS A 56 23.361 13.795 -21.807 1.00 0.00 C ATOM 780 O CYS A 56 23.839 13.248 -20.813 1.00 0.00 O ATOM 781 CB CYS A 56 24.376 15.874 -22.764 1.00 0.00 C ATOM 782 SG CYS A 56 24.424 17.694 -22.832 1.00 0.00 S ATOM 0 H CYS A 56 23.968 16.683 -20.467 1.00 0.00 H new ATOM 0 HA CYS A 56 22.294 15.569 -22.332 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.333 15.509 -22.391 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.260 15.486 -23.776 1.00 0.00 H new ATOM 787 N VAL A 57 22.910 13.119 -22.857 1.00 0.00 N ATOM 788 CA VAL A 57 22.953 11.662 -22.904 1.00 0.00 C ATOM 789 C VAL A 57 23.828 11.171 -24.052 1.00 0.00 C ATOM 790 O VAL A 57 23.329 10.645 -25.047 1.00 0.00 O ATOM 791 CB VAL A 57 21.542 11.064 -23.053 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.957 11.403 -24.415 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.573 9.559 -22.838 1.00 0.00 C ATOM 0 H VAL A 57 22.510 13.556 -23.687 1.00 0.00 H new ATOM 0 HA VAL A 57 23.383 11.329 -21.959 1.00 0.00 H new ATOM 0 HB VAL A 57 20.901 11.504 -22.289 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.960 10.971 -24.500 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.894 12.486 -24.525 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.597 10.995 -25.198 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.567 9.155 -22.947 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.231 9.100 -23.576 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.944 9.342 -21.836 1.00 0.00 H new ATOM 803 N LEU A 58 25.138 11.346 -23.906 1.00 0.00 N ATOM 804 CA LEU A 58 26.087 10.919 -24.928 1.00 0.00 C ATOM 805 C LEU A 58 27.203 10.080 -24.311 1.00 0.00 C ATOM 806 O LEU A 58 27.284 9.941 -23.091 1.00 0.00 O ATOM 807 CB LEU A 58 26.680 12.134 -25.646 1.00 0.00 C ATOM 808 CG LEU A 58 25.978 13.464 -25.371 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.127 13.856 -23.909 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.536 14.554 -26.274 1.00 0.00 C ATOM 0 H LEU A 58 25.567 11.781 -23.089 1.00 0.00 H new ATOM 0 HA LEU A 58 25.553 10.306 -25.654 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.727 12.229 -25.359 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.659 11.947 -26.720 1.00 0.00 H new ATOM 0 HG LEU A 58 24.916 13.344 -25.587 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.621 14.805 -23.733 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.683 13.086 -23.279 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.185 13.958 -23.666 1.00 0.00 H new ATOM 0 HD21 LEU A 58 26.026 15.495 -26.066 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.603 14.671 -26.087 1.00 0.00 H new ATOM 0 HD23 LEU A 58 26.379 14.279 -27.317 1.00 0.00 H new ATOM 822 N PRO A 59 28.081 9.510 -25.151 1.00 0.00 N ATOM 823 CA PRO A 59 28.007 9.660 -26.609 1.00 0.00 C ATOM 824 C PRO A 59 26.777 8.981 -27.202 1.00 0.00 C ATOM 825 O PRO A 59 26.530 7.799 -26.961 1.00 0.00 O ATOM 826 CB PRO A 59 29.284 8.976 -27.107 1.00 0.00 C ATOM 827 CG PRO A 59 29.658 8.026 -26.023 1.00 0.00 C ATOM 828 CD PRO A 59 29.218 8.669 -24.738 1.00 0.00 C ATOM 0 HA PRO A 59 27.925 10.706 -26.903 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.111 8.454 -28.048 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.077 9.702 -27.287 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.170 7.062 -26.164 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.732 7.842 -26.019 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.921 7.926 -23.998 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.016 9.262 -24.291 1.00 0.00 H new ATOM 836 N PHE A 60 26.011 9.736 -27.980 1.00 0.00 N ATOM 837 CA PHE A 60 24.807 9.210 -28.613 1.00 0.00 C ATOM 838 C PHE A 60 25.023 9.026 -30.111 1.00 0.00 C ATOM 839 O PHE A 60 26.132 9.207 -30.616 1.00 0.00 O ATOM 840 CB PHE A 60 23.624 10.148 -28.371 1.00 0.00 C ATOM 841 CG PHE A 60 23.948 11.595 -28.617 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.221 12.048 -29.898 1.00 0.00 C ATOM 843 CD2 PHE A 60 23.979 12.500 -27.569 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.520 13.378 -30.129 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.278 13.831 -27.792 1.00 0.00 C ATOM 846 CZ PHE A 60 24.548 14.270 -29.074 1.00 0.00 C ATOM 0 H PHE A 60 26.202 10.716 -28.188 1.00 0.00 H new ATOM 0 HA PHE A 60 24.587 8.239 -28.169 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.798 9.853 -29.018 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.281 10.030 -27.343 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.200 11.354 -30.725 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.767 12.162 -26.566 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.731 13.719 -31.132 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.301 14.526 -26.966 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.781 15.310 -29.251 1.00 0.00 H new ATOM 856 N THR A 61 23.958 8.669 -30.818 1.00 0.00 N ATOM 857 CA THR A 61 24.030 8.464 -32.259 1.00 0.00 C ATOM 858 C THR A 61 22.960 9.276 -32.979 1.00 0.00 C ATOM 859 O THR A 61 21.765 9.111 -32.724 1.00 0.00 O ATOM 860 CB THR A 61 23.870 6.978 -32.626 1.00 0.00 C ATOM 861 OG1 THR A 61 24.134 6.159 -31.480 1.00 0.00 O ATOM 862 CG2 THR A 61 24.813 6.595 -33.757 1.00 0.00 C ATOM 0 H THR A 61 23.033 8.515 -30.416 1.00 0.00 H new ATOM 0 HA THR A 61 25.016 8.801 -32.579 1.00 0.00 H new ATOM 0 HB THR A 61 22.845 6.817 -32.959 1.00 0.00 H new ATOM 0 HG1 THR A 61 24.028 5.215 -31.721 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.682 5.540 -33.999 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.591 7.199 -34.636 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.843 6.771 -33.447 1.00 0.00 H new ATOM 870 N TYR A 62 23.394 10.152 -33.877 1.00 0.00 N ATOM 871 CA TYR A 62 22.473 10.991 -34.633 1.00 0.00 C ATOM 872 C TYR A 62 22.927 11.122 -36.083 1.00 0.00 C ATOM 873 O TYR A 62 24.112 11.311 -36.358 1.00 0.00 O ATOM 874 CB TYR A 62 22.365 12.377 -33.991 1.00 0.00 C ATOM 875 CG TYR A 62 21.732 13.415 -34.890 1.00 0.00 C ATOM 876 CD1 TYR A 62 20.369 13.397 -35.154 1.00 0.00 C ATOM 877 CD2 TYR A 62 22.500 14.414 -35.476 1.00 0.00 C ATOM 878 CE1 TYR A 62 19.788 14.345 -35.975 1.00 0.00 C ATOM 879 CE2 TYR A 62 21.927 15.365 -36.297 1.00 0.00 C ATOM 880 CZ TYR A 62 20.571 15.326 -36.544 1.00 0.00 C ATOM 881 OH TYR A 62 19.997 16.271 -37.363 1.00 0.00 O ATOM 0 H TYR A 62 24.378 10.300 -34.099 1.00 0.00 H new ATOM 0 HA TYR A 62 21.492 10.517 -34.618 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.781 12.299 -33.074 1.00 0.00 H new ATOM 0 HB3 TYR A 62 23.362 12.715 -33.706 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.752 12.629 -34.710 1.00 0.00 H new ATOM 0 HD2 TYR A 62 23.563 14.447 -35.286 1.00 0.00 H new ATOM 0 HE1 TYR A 62 18.726 14.317 -36.170 1.00 0.00 H new ATOM 0 HE2 TYR A 62 22.538 16.136 -36.743 1.00 0.00 H new ATOM 0 HH TYR A 62 20.696 16.725 -37.879 1.00 0.00 H new ATOM 891 N ASN A 63 21.978 11.016 -37.006 1.00 0.00 N ATOM 892 CA ASN A 63 22.282 11.118 -38.427 1.00 0.00 C ATOM 893 C ASN A 63 23.123 9.932 -38.891 1.00 0.00 C ATOM 894 O ASN A 63 23.605 9.905 -40.024 1.00 0.00 O ATOM 895 CB ASN A 63 23.016 12.428 -38.719 1.00 0.00 C ATOM 896 CG ASN A 63 22.340 13.239 -39.805 1.00 0.00 C ATOM 897 OD1 ASN A 63 22.783 13.252 -40.954 1.00 0.00 O ATOM 898 ND2 ASN A 63 21.260 13.922 -39.446 1.00 0.00 N ATOM 0 H ASN A 63 20.992 10.860 -36.795 1.00 0.00 H new ATOM 0 HA ASN A 63 21.341 11.107 -38.977 1.00 0.00 H new ATOM 0 HB2 ASN A 63 23.071 13.022 -37.807 1.00 0.00 H new ATOM 0 HB3 ASN A 63 24.041 12.208 -39.018 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.762 14.487 -40.134 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.928 13.882 -38.482 1.00 0.00 H new ATOM 905 N GLY A 64 23.293 8.950 -38.010 1.00 0.00 N ATOM 906 CA GLY A 64 24.072 7.774 -38.350 1.00 0.00 C ATOM 907 C GLY A 64 25.465 7.798 -37.752 1.00 0.00 C ATOM 908 O GLY A 64 26.176 6.795 -37.779 1.00 0.00 O ATOM 0 H GLY A 64 22.905 8.948 -37.067 1.00 0.00 H new ATOM 0 HA2 GLY A 64 23.548 6.884 -38.002 1.00 0.00 H new ATOM 0 HA3 GLY A 64 24.149 7.696 -39.434 1.00 0.00 H new ATOM 912 N ARG A 65 25.856 8.947 -37.209 1.00 0.00 N ATOM 913 CA ARG A 65 27.174 9.093 -36.605 1.00 0.00 C ATOM 914 C ARG A 65 27.075 9.092 -35.082 1.00 0.00 C ATOM 915 O ARG A 65 26.047 8.717 -34.518 1.00 0.00 O ATOM 916 CB ARG A 65 27.838 10.381 -37.093 1.00 0.00 C ATOM 917 CG ARG A 65 27.053 11.635 -36.758 1.00 0.00 C ATOM 918 CD ARG A 65 26.477 12.282 -38.007 1.00 0.00 C ATOM 919 NE ARG A 65 27.334 13.347 -38.519 1.00 0.00 N ATOM 920 CZ ARG A 65 27.357 13.725 -39.794 1.00 0.00 C ATOM 921 NH1 ARG A 65 26.571 13.127 -40.678 1.00 0.00 N ATOM 922 NH2 ARG A 65 28.166 14.700 -40.183 1.00 0.00 N ATOM 0 H ARG A 65 25.280 9.788 -37.175 1.00 0.00 H new ATOM 0 HA ARG A 65 27.787 8.244 -36.908 1.00 0.00 H new ATOM 0 HB2 ARG A 65 28.832 10.457 -36.652 1.00 0.00 H new ATOM 0 HB3 ARG A 65 27.972 10.324 -38.173 1.00 0.00 H new ATOM 0 HG2 ARG A 65 26.245 11.387 -36.070 1.00 0.00 H new ATOM 0 HG3 ARG A 65 27.701 12.345 -36.245 1.00 0.00 H new ATOM 0 HD2 ARG A 65 26.342 11.524 -38.778 1.00 0.00 H new ATOM 0 HD3 ARG A 65 25.490 12.688 -37.783 1.00 0.00 H new ATOM 0 HE ARG A 65 27.949 13.828 -37.863 1.00 0.00 H new ATOM 0 HH11 ARG A 65 25.948 12.376 -40.381 1.00 0.00 H new ATOM 0 HH12 ARG A 65 26.589 13.418 -41.656 1.00 0.00 H new ATOM 0 HH21 ARG A 65 28.772 15.161 -39.504 1.00 0.00 H new ATOM 0 HH22 ARG A 65 28.183 14.989 -41.161 1.00 0.00 H new ATOM 936 N THR A 66 28.151 9.509 -34.420 1.00 0.00 N ATOM 937 CA THR A 66 28.181 9.547 -32.962 1.00 0.00 C ATOM 938 C THR A 66 28.843 10.823 -32.454 1.00 0.00 C ATOM 939 O THR A 66 29.799 11.319 -33.051 1.00 0.00 O ATOM 940 CB THR A 66 28.931 8.330 -32.389 1.00 0.00 C ATOM 941 OG1 THR A 66 28.334 7.118 -32.866 1.00 0.00 O ATOM 942 CG2 THR A 66 28.908 8.350 -30.867 1.00 0.00 C ATOM 0 H THR A 66 29.011 9.824 -34.869 1.00 0.00 H new ATOM 0 HA THR A 66 27.145 9.523 -32.624 1.00 0.00 H new ATOM 0 HB THR A 66 29.968 8.378 -32.722 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.817 6.349 -32.499 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.443 7.481 -30.484 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.388 9.260 -30.508 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.876 8.323 -30.518 1.00 0.00 H new ATOM 950 N PHE A 67 28.333 11.346 -31.344 1.00 0.00 N ATOM 951 CA PHE A 67 28.877 12.563 -30.751 1.00 0.00 C ATOM 952 C PHE A 67 29.029 12.410 -29.243 1.00 0.00 C ATOM 953 O PHE A 67 28.098 11.991 -28.555 1.00 0.00 O ATOM 954 CB PHE A 67 27.977 13.760 -31.063 1.00 0.00 C ATOM 955 CG PHE A 67 27.367 13.712 -32.433 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.386 12.782 -32.736 1.00 0.00 C ATOM 957 CD2 PHE A 67 27.774 14.597 -33.418 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.823 12.735 -33.995 1.00 0.00 C ATOM 959 CE2 PHE A 67 27.214 14.555 -34.680 1.00 0.00 C ATOM 960 CZ PHE A 67 26.237 13.623 -34.969 1.00 0.00 C ATOM 0 H PHE A 67 27.544 10.946 -30.837 1.00 0.00 H new ATOM 0 HA PHE A 67 29.862 12.737 -31.185 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.180 13.808 -30.321 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.559 14.677 -30.965 1.00 0.00 H new ATOM 0 HD1 PHE A 67 26.058 12.086 -31.978 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.538 15.328 -33.197 1.00 0.00 H new ATOM 0 HE1 PHE A 67 25.059 12.005 -34.219 1.00 0.00 H new ATOM 0 HE2 PHE A 67 27.540 15.250 -35.440 1.00 0.00 H new ATOM 0 HZ PHE A 67 25.797 13.588 -35.955 1.00 0.00 H new ATOM 970 N TYR A 68 30.206 12.755 -28.734 1.00 0.00 N ATOM 971 CA TYR A 68 30.478 12.659 -27.306 1.00 0.00 C ATOM 972 C TYR A 68 30.323 14.020 -26.637 1.00 0.00 C ATOM 973 O TYR A 68 30.912 14.281 -25.590 1.00 0.00 O ATOM 974 CB TYR A 68 31.890 12.117 -27.074 1.00 0.00 C ATOM 975 CG TYR A 68 32.153 10.796 -27.761 1.00 0.00 C ATOM 976 CD1 TYR A 68 32.141 10.696 -29.148 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.412 9.648 -27.025 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.381 9.490 -29.780 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.654 8.439 -27.649 1.00 0.00 C ATOM 980 CZ TYR A 68 32.638 8.365 -29.025 1.00 0.00 C ATOM 981 OH TYR A 68 32.877 7.163 -29.649 1.00 0.00 O ATOM 0 H TYR A 68 30.987 13.104 -29.290 1.00 0.00 H new ATOM 0 HA TYR A 68 29.757 11.972 -26.863 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.614 12.851 -27.427 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.053 11.998 -26.003 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.941 11.576 -29.742 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.425 9.701 -25.946 1.00 0.00 H new ATOM 0 HE1 TYR A 68 32.367 9.429 -30.858 1.00 0.00 H new ATOM 0 HE2 TYR A 68 32.855 7.556 -27.061 1.00 0.00 H new ATOM 0 HH TYR A 68 33.041 6.471 -28.975 1.00 0.00 H new ATOM 991 N SER A 69 29.522 14.885 -27.254 1.00 0.00 N ATOM 992 CA SER A 69 29.286 16.222 -26.725 1.00 0.00 C ATOM 993 C SER A 69 28.318 16.994 -27.614 1.00 0.00 C ATOM 994 O SER A 69 27.592 16.406 -28.417 1.00 0.00 O ATOM 995 CB SER A 69 30.605 16.989 -26.608 1.00 0.00 C ATOM 996 OG SER A 69 30.603 17.835 -25.473 1.00 0.00 O ATOM 0 H SER A 69 29.026 14.682 -28.122 1.00 0.00 H new ATOM 0 HA SER A 69 28.843 16.119 -25.734 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.434 16.285 -26.539 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.765 17.583 -27.508 1.00 0.00 H new ATOM 0 HG SER A 69 31.457 18.313 -25.420 1.00 0.00 H new ATOM 1002 N CYS A 70 28.314 18.313 -27.466 1.00 0.00 N ATOM 1003 CA CYS A 70 27.438 19.168 -28.254 1.00 0.00 C ATOM 1004 C CYS A 70 27.740 19.027 -29.741 1.00 0.00 C ATOM 1005 O CYS A 70 28.792 18.516 -30.124 1.00 0.00 O ATOM 1006 CB CYS A 70 27.595 20.627 -27.825 1.00 0.00 C ATOM 1007 SG CYS A 70 27.850 20.853 -26.034 1.00 0.00 S ATOM 0 H CYS A 70 28.909 18.814 -26.806 1.00 0.00 H new ATOM 0 HA CYS A 70 26.409 18.855 -28.079 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.439 21.063 -28.359 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.706 21.181 -28.127 1.00 0.00 H new ATOM 1012 N THR A 71 26.812 19.483 -30.577 1.00 0.00 N ATOM 1013 CA THR A 71 26.982 19.406 -32.023 1.00 0.00 C ATOM 1014 C THR A 71 25.912 20.210 -32.753 1.00 0.00 C ATOM 1015 O THR A 71 24.795 20.371 -32.261 1.00 0.00 O ATOM 1016 CB THR A 71 26.928 17.949 -32.519 1.00 0.00 C ATOM 1017 OG1 THR A 71 27.413 17.871 -33.865 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.505 17.412 -32.456 1.00 0.00 C ATOM 0 H THR A 71 25.935 19.909 -30.277 1.00 0.00 H new ATOM 0 HA THR A 71 27.963 19.827 -32.242 1.00 0.00 H new ATOM 0 HB THR A 71 27.560 17.342 -31.870 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.516 16.931 -34.122 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.489 16.381 -32.811 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.148 17.447 -31.427 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.858 18.022 -33.085 1.00 0.00 H new ATOM 1026 N THR A 72 26.261 20.702 -33.937 1.00 0.00 N ATOM 1027 CA THR A 72 25.334 21.482 -34.748 1.00 0.00 C ATOM 1028 C THR A 72 25.044 20.774 -36.067 1.00 0.00 C ATOM 1029 O THR A 72 25.456 21.232 -37.133 1.00 0.00 O ATOM 1030 CB THR A 72 25.890 22.887 -35.045 1.00 0.00 C ATOM 1031 OG1 THR A 72 27.322 22.870 -34.990 1.00 0.00 O ATOM 1032 CG2 THR A 72 25.354 23.904 -34.050 1.00 0.00 C ATOM 0 H THR A 72 27.182 20.574 -34.357 1.00 0.00 H new ATOM 0 HA THR A 72 24.412 21.581 -34.175 1.00 0.00 H new ATOM 0 HB THR A 72 25.567 23.175 -36.045 1.00 0.00 H new ATOM 0 HG1 THR A 72 27.667 23.767 -35.182 1.00 0.00 H new ATOM 0 HG21 THR A 72 25.761 24.888 -34.281 1.00 0.00 H new ATOM 0 HG22 THR A 72 24.266 23.937 -34.114 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.650 23.617 -33.041 1.00 0.00 H new ATOM 1040 N GLU A 73 24.339 19.650 -35.987 1.00 0.00 N ATOM 1041 CA GLU A 73 24.002 18.872 -37.172 1.00 0.00 C ATOM 1042 C GLU A 73 22.495 18.663 -37.285 1.00 0.00 C ATOM 1043 O GLU A 73 22.026 17.889 -38.120 1.00 0.00 O ATOM 1044 CB GLU A 73 24.710 17.518 -37.126 1.00 0.00 C ATOM 1045 CG GLU A 73 26.225 17.624 -37.105 1.00 0.00 C ATOM 1046 CD GLU A 73 26.745 18.723 -38.012 1.00 0.00 C ATOM 1047 OE1 GLU A 73 26.330 18.766 -39.189 1.00 0.00 O ATOM 1048 OE2 GLU A 73 27.566 19.539 -37.545 1.00 0.00 O ATOM 0 H GLU A 73 23.990 19.258 -35.112 1.00 0.00 H new ATOM 0 HA GLU A 73 24.336 19.428 -38.048 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.380 16.975 -36.241 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.407 16.930 -37.992 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.558 17.812 -36.084 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.657 16.671 -37.411 1.00 0.00 H new ATOM 1055 N GLY A 74 21.740 19.353 -36.437 1.00 0.00 N ATOM 1056 CA GLY A 74 20.295 19.223 -36.458 1.00 0.00 C ATOM 1057 C GLY A 74 19.588 20.544 -36.697 1.00 0.00 C ATOM 1058 O GLY A 74 18.359 20.606 -36.696 1.00 0.00 O ATOM 0 H GLY A 74 22.102 19.999 -35.736 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.010 18.517 -37.238 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.959 18.803 -35.510 1.00 0.00 H new ATOM 1062 N ARG A 75 20.364 21.604 -36.903 1.00 0.00 N ATOM 1063 CA ARG A 75 19.797 22.928 -37.144 1.00 0.00 C ATOM 1064 C ARG A 75 20.446 23.591 -38.354 1.00 0.00 C ATOM 1065 O ARG A 75 21.348 23.030 -38.975 1.00 0.00 O ATOM 1066 CB ARG A 75 19.971 23.816 -35.912 1.00 0.00 C ATOM 1067 CG ARG A 75 21.385 23.811 -35.353 1.00 0.00 C ATOM 1068 CD ARG A 75 21.518 22.873 -34.163 1.00 0.00 C ATOM 1069 NE ARG A 75 20.570 21.762 -34.223 1.00 0.00 N ATOM 1070 CZ ARG A 75 19.396 21.747 -33.593 1.00 0.00 C ATOM 1071 NH1 ARG A 75 19.003 22.792 -32.877 1.00 0.00 N ATOM 1072 NH2 ARG A 75 18.608 20.685 -33.689 1.00 0.00 N ATOM 0 H ARG A 75 21.384 21.573 -36.908 1.00 0.00 H new ATOM 0 HA ARG A 75 18.733 22.803 -37.347 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.695 24.838 -36.169 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.281 23.485 -35.136 1.00 0.00 H new ATOM 0 HG2 ARG A 75 22.083 23.509 -36.134 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.661 24.822 -35.052 1.00 0.00 H new ATOM 0 HD2 ARG A 75 22.534 22.479 -34.125 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.359 23.434 -33.242 1.00 0.00 H new ATOM 0 HE ARG A 75 20.823 20.947 -34.782 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.601 23.615 -32.806 1.00 0.00 H new ATOM 0 HH12 ARG A 75 18.103 22.772 -32.398 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.901 19.881 -34.244 1.00 0.00 H new ATOM 0 HH22 ARG A 75 17.709 20.672 -33.207 1.00 0.00 H new ATOM 1086 N GLN A 76 19.980 24.792 -38.680 1.00 0.00 N ATOM 1087 CA GLN A 76 20.512 25.539 -39.813 1.00 0.00 C ATOM 1088 C GLN A 76 21.103 26.872 -39.361 1.00 0.00 C ATOM 1089 O GLN A 76 21.562 27.667 -40.180 1.00 0.00 O ATOM 1090 CB GLN A 76 19.414 25.783 -40.849 1.00 0.00 C ATOM 1091 CG GLN A 76 18.412 24.644 -40.951 1.00 0.00 C ATOM 1092 CD GLN A 76 18.117 24.255 -42.386 1.00 0.00 C ATOM 1093 OE1 GLN A 76 18.170 25.087 -43.291 1.00 0.00 O ATOM 1094 NE2 GLN A 76 17.803 22.982 -42.601 1.00 0.00 N ATOM 0 H GLN A 76 19.234 25.269 -38.174 1.00 0.00 H new ATOM 0 HA GLN A 76 21.306 24.945 -40.265 1.00 0.00 H new ATOM 0 HB2 GLN A 76 18.884 26.701 -40.595 1.00 0.00 H new ATOM 0 HB3 GLN A 76 19.874 25.940 -41.825 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.797 23.777 -40.415 1.00 0.00 H new ATOM 0 HG3 GLN A 76 17.484 24.936 -40.459 1.00 0.00 H new ATOM 0 HE21 GLN A 76 17.771 22.326 -41.821 1.00 0.00 H new ATOM 0 HE22 GLN A 76 17.594 22.661 -43.546 1.00 0.00 H new ATOM 1103 N ASP A 77 21.089 27.111 -38.053 1.00 0.00 N ATOM 1104 CA ASP A 77 21.624 28.348 -37.496 1.00 0.00 C ATOM 1105 C ASP A 77 23.096 28.189 -37.133 1.00 0.00 C ATOM 1106 O ASP A 77 23.947 28.947 -37.597 1.00 0.00 O ATOM 1107 CB ASP A 77 20.824 28.766 -36.261 1.00 0.00 C ATOM 1108 CG ASP A 77 20.383 27.578 -35.428 1.00 0.00 C ATOM 1109 OD1 ASP A 77 21.257 26.917 -34.828 1.00 0.00 O ATOM 1110 OD2 ASP A 77 19.165 27.308 -35.376 1.00 0.00 O ATOM 0 H ASP A 77 20.713 26.464 -37.360 1.00 0.00 H new ATOM 0 HA ASP A 77 21.537 29.125 -38.255 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.430 29.432 -35.647 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.947 29.332 -36.574 1.00 0.00 H new ATOM 1115 N GLY A 78 23.385 27.198 -36.302 1.00 0.00 N ATOM 1116 CA GLY A 78 24.754 26.950 -35.887 1.00 0.00 C ATOM 1117 C GLY A 78 24.915 26.952 -34.380 1.00 0.00 C ATOM 1118 O GLY A 78 25.999 27.227 -33.865 1.00 0.00 O ATOM 0 H GLY A 78 22.696 26.559 -35.906 1.00 0.00 H new ATOM 0 HA2 GLY A 78 25.081 25.988 -36.282 1.00 0.00 H new ATOM 0 HA3 GLY A 78 25.404 27.710 -36.319 1.00 0.00 H new ATOM 1122 N HIS A 79 23.835 26.640 -33.669 1.00 0.00 N ATOM 1123 CA HIS A 79 23.862 26.603 -32.212 1.00 0.00 C ATOM 1124 C HIS A 79 24.121 25.189 -31.707 1.00 0.00 C ATOM 1125 O HIS A 79 23.342 24.273 -31.974 1.00 0.00 O ATOM 1126 CB HIS A 79 22.541 27.123 -31.641 1.00 0.00 C ATOM 1127 CG HIS A 79 22.196 28.509 -32.088 1.00 0.00 C ATOM 1128 ND1 HIS A 79 22.948 29.215 -33.004 1.00 0.00 N ATOM 1129 CD2 HIS A 79 21.169 29.322 -31.741 1.00 0.00 C ATOM 1130 CE1 HIS A 79 22.400 30.401 -33.200 1.00 0.00 C ATOM 1131 NE2 HIS A 79 21.320 30.491 -32.446 1.00 0.00 N ATOM 0 H HIS A 79 22.930 26.409 -34.080 1.00 0.00 H new ATOM 0 HA HIS A 79 24.675 27.246 -31.875 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.738 26.446 -31.933 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.594 27.104 -30.552 1.00 0.00 H new ATOM 0 HD2 HIS A 79 20.379 29.093 -31.041 1.00 0.00 H new ATOM 0 HE1 HIS A 79 22.772 31.167 -33.864 1.00 0.00 H new ATOM 0 HE2 HIS A 79 20.698 31.298 -32.395 1.00 0.00 H new ATOM 1140 N LEU A 80 25.216 25.016 -30.974 1.00 0.00 N ATOM 1141 CA LEU A 80 25.571 23.714 -30.430 1.00 0.00 C ATOM 1142 C LEU A 80 24.450 23.178 -29.547 1.00 0.00 C ATOM 1143 O LEU A 80 23.783 23.939 -28.845 1.00 0.00 O ATOM 1144 CB LEU A 80 26.866 23.813 -29.624 1.00 0.00 C ATOM 1145 CG LEU A 80 28.144 23.903 -30.460 1.00 0.00 C ATOM 1146 CD1 LEU A 80 28.050 25.046 -31.458 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.356 24.079 -29.558 1.00 0.00 C ATOM 0 H LEU A 80 25.872 25.763 -30.744 1.00 0.00 H new ATOM 0 HA LEU A 80 25.721 23.025 -31.261 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.809 24.690 -28.980 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.937 22.943 -28.972 1.00 0.00 H new ATOM 0 HG LEU A 80 28.260 22.972 -31.016 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.968 25.094 -32.043 1.00 0.00 H new ATOM 0 HD12 LEU A 80 27.203 24.879 -32.124 1.00 0.00 H new ATOM 0 HD13 LEU A 80 27.911 25.986 -30.923 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.257 24.141 -30.168 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.247 24.995 -28.977 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.433 23.227 -28.882 1.00 0.00 H new ATOM 1159 N TRP A 81 24.246 21.867 -29.585 1.00 0.00 N ATOM 1160 CA TRP A 81 23.202 21.239 -28.787 1.00 0.00 C ATOM 1161 C TRP A 81 23.580 19.812 -28.408 1.00 0.00 C ATOM 1162 O TRP A 81 24.549 19.256 -28.924 1.00 0.00 O ATOM 1163 CB TRP A 81 21.881 21.233 -29.556 1.00 0.00 C ATOM 1164 CG TRP A 81 21.946 20.452 -30.833 1.00 0.00 C ATOM 1165 CD1 TRP A 81 22.279 20.928 -32.067 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.675 19.055 -31.000 1.00 0.00 C ATOM 1167 NE1 TRP A 81 22.231 19.914 -32.993 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.862 18.754 -32.363 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.292 18.029 -30.131 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.681 17.471 -32.875 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.113 16.756 -30.640 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.307 16.488 -32.001 1.00 0.00 C ATOM 0 H TRP A 81 24.788 21.220 -30.158 1.00 0.00 H new ATOM 0 HA TRP A 81 23.087 21.820 -27.872 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.100 20.815 -28.921 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.594 22.260 -29.780 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.542 21.953 -32.285 1.00 0.00 H new ATOM 0 HE1 TRP A 81 22.437 20.009 -33.988 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.139 18.227 -29.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.831 17.260 -33.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.819 15.955 -29.977 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.158 15.483 -32.368 1.00 0.00 H new ATOM 1183 N CYS A 82 22.801 19.225 -27.508 1.00 0.00 N ATOM 1184 CA CYS A 82 23.040 17.860 -27.057 1.00 0.00 C ATOM 1185 C CYS A 82 21.719 17.161 -26.755 1.00 0.00 C ATOM 1186 O CYS A 82 20.667 17.798 -26.711 1.00 0.00 O ATOM 1187 CB CYS A 82 23.936 17.856 -25.817 1.00 0.00 C ATOM 1188 SG CYS A 82 23.053 18.160 -24.255 1.00 0.00 S ATOM 0 H CYS A 82 21.995 19.675 -27.075 1.00 0.00 H new ATOM 0 HA CYS A 82 23.547 17.317 -27.855 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.443 16.893 -25.753 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.708 18.616 -25.938 1.00 0.00 H new ATOM 1193 N SER A 83 21.777 15.851 -26.552 1.00 0.00 N ATOM 1194 CA SER A 83 20.578 15.074 -26.261 1.00 0.00 C ATOM 1195 C SER A 83 20.429 14.820 -24.765 1.00 0.00 C ATOM 1196 O SER A 83 21.416 14.619 -24.058 1.00 0.00 O ATOM 1197 CB SER A 83 20.613 13.741 -27.013 1.00 0.00 C ATOM 1198 OG SER A 83 19.363 13.079 -26.937 1.00 0.00 O ATOM 0 H SER A 83 22.638 15.305 -26.583 1.00 0.00 H new ATOM 0 HA SER A 83 19.718 15.654 -26.595 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.872 13.916 -28.057 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.391 13.104 -26.594 1.00 0.00 H new ATOM 0 HG SER A 83 19.481 12.205 -26.509 1.00 0.00 H new ATOM 1204 N THR A 84 19.188 14.821 -24.292 1.00 0.00 N ATOM 1205 CA THR A 84 18.902 14.580 -22.885 1.00 0.00 C ATOM 1206 C THR A 84 18.469 13.136 -22.669 1.00 0.00 C ATOM 1207 O THR A 84 18.580 12.597 -21.567 1.00 0.00 O ATOM 1208 CB THR A 84 17.802 15.522 -22.361 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.568 15.257 -23.038 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.196 16.978 -22.563 1.00 0.00 C ATOM 0 H THR A 84 18.361 14.987 -24.866 1.00 0.00 H new ATOM 0 HA THR A 84 19.820 14.776 -22.331 1.00 0.00 H new ATOM 0 HB THR A 84 17.676 15.341 -21.293 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.740 15.129 -23.994 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.404 17.625 -22.186 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.120 17.183 -22.023 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.346 17.170 -23.625 1.00 0.00 H new ATOM 1218 N THR A 85 17.984 12.514 -23.738 1.00 0.00 N ATOM 1219 CA THR A 85 17.539 11.127 -23.688 1.00 0.00 C ATOM 1220 C THR A 85 18.190 10.314 -24.803 1.00 0.00 C ATOM 1221 O THR A 85 18.223 10.743 -25.956 1.00 0.00 O ATOM 1222 CB THR A 85 16.006 11.028 -23.816 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.383 11.463 -22.600 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.574 9.602 -24.130 1.00 0.00 C ATOM 0 H THR A 85 17.889 12.952 -24.654 1.00 0.00 H new ATOM 0 HA THR A 85 17.838 10.723 -22.721 1.00 0.00 H new ATOM 0 HB THR A 85 15.693 11.673 -24.637 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.423 11.591 -22.752 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.488 9.561 -24.215 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.024 9.284 -25.071 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.901 8.938 -23.329 1.00 0.00 H new ATOM 1232 N SER A 86 18.707 9.141 -24.451 1.00 0.00 N ATOM 1233 CA SER A 86 19.359 8.273 -25.426 1.00 0.00 C ATOM 1234 C SER A 86 18.562 8.227 -26.725 1.00 0.00 C ATOM 1235 O SER A 86 19.118 8.385 -27.812 1.00 0.00 O ATOM 1236 CB SER A 86 19.513 6.861 -24.858 1.00 0.00 C ATOM 1237 OG SER A 86 20.875 6.470 -24.826 1.00 0.00 O ATOM 0 H SER A 86 18.687 8.770 -23.501 1.00 0.00 H new ATOM 0 HA SER A 86 20.347 8.681 -25.639 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.097 6.823 -23.851 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.943 6.157 -25.465 1.00 0.00 H new ATOM 0 HG SER A 86 20.947 5.565 -24.457 1.00 0.00 H new ATOM 1243 N ASN A 87 17.259 8.010 -26.602 1.00 0.00 N ATOM 1244 CA ASN A 87 16.380 7.943 -27.762 1.00 0.00 C ATOM 1245 C ASN A 87 15.864 9.329 -28.135 1.00 0.00 C ATOM 1246 O ASN A 87 14.700 9.651 -27.900 1.00 0.00 O ATOM 1247 CB ASN A 87 15.206 7.009 -27.475 1.00 0.00 C ATOM 1248 CG ASN A 87 15.051 5.932 -28.530 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.998 5.608 -29.247 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.853 5.368 -28.629 1.00 0.00 N ATOM 0 H ASN A 87 16.786 7.877 -25.708 1.00 0.00 H new ATOM 0 HA ASN A 87 16.953 7.553 -28.603 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.348 6.541 -26.501 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.287 7.592 -27.418 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.690 4.635 -29.320 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.096 5.667 -28.014 1.00 0.00 H new ATOM 1257 N TYR A 88 16.736 10.145 -28.720 1.00 0.00 N ATOM 1258 CA TYR A 88 16.363 11.493 -29.127 1.00 0.00 C ATOM 1259 C TYR A 88 15.465 11.452 -30.357 1.00 0.00 C ATOM 1260 O TYR A 88 14.703 12.384 -30.616 1.00 0.00 O ATOM 1261 CB TYR A 88 17.615 12.328 -29.416 1.00 0.00 C ATOM 1262 CG TYR A 88 17.373 13.485 -30.362 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.249 13.273 -31.729 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.269 14.786 -29.888 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.026 14.325 -32.597 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.046 15.844 -30.749 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.925 15.609 -32.102 1.00 0.00 C ATOM 1268 OH TYR A 88 16.704 16.659 -32.963 1.00 0.00 O ATOM 0 H TYR A 88 17.704 9.895 -28.922 1.00 0.00 H new ATOM 0 HA TYR A 88 15.811 11.958 -28.310 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.007 12.716 -28.476 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.383 11.680 -29.838 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.328 12.269 -32.120 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.364 14.974 -28.829 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.931 14.143 -33.657 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.967 16.850 -30.364 1.00 0.00 H new ATOM 0 HH TYR A 88 16.658 17.495 -32.454 1.00 0.00 H new ATOM 1278 N GLU A 89 15.562 10.364 -31.114 1.00 0.00 N ATOM 1279 CA GLU A 89 14.761 10.200 -32.319 1.00 0.00 C ATOM 1280 C GLU A 89 13.274 10.143 -31.982 1.00 0.00 C ATOM 1281 O GLU A 89 12.425 10.415 -32.830 1.00 0.00 O ATOM 1282 CB GLU A 89 15.176 8.933 -33.067 1.00 0.00 C ATOM 1283 CG GLU A 89 16.292 9.159 -34.074 1.00 0.00 C ATOM 1284 CD GLU A 89 16.715 7.881 -34.773 1.00 0.00 C ATOM 1285 OE1 GLU A 89 15.841 7.205 -35.356 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.920 7.556 -34.737 1.00 0.00 O ATOM 0 H GLU A 89 16.187 9.584 -30.913 1.00 0.00 H new ATOM 0 HA GLU A 89 14.936 11.064 -32.960 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.497 8.183 -32.344 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.308 8.526 -33.585 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.963 9.884 -34.818 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.153 9.593 -33.565 1.00 0.00 H new ATOM 1293 N GLN A 90 12.967 9.786 -30.738 1.00 0.00 N ATOM 1294 CA GLN A 90 11.581 9.693 -30.292 1.00 0.00 C ATOM 1295 C GLN A 90 11.285 10.722 -29.204 1.00 0.00 C ATOM 1296 O GLN A 90 10.181 11.260 -29.131 1.00 0.00 O ATOM 1297 CB GLN A 90 11.281 8.283 -29.780 1.00 0.00 C ATOM 1298 CG GLN A 90 11.584 8.097 -28.306 1.00 0.00 C ATOM 1299 CD GLN A 90 10.364 8.300 -27.428 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.674 9.314 -27.530 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.094 7.333 -26.559 1.00 0.00 N ATOM 0 H GLN A 90 13.657 9.557 -30.023 1.00 0.00 H new ATOM 0 HA GLN A 90 10.937 9.905 -31.145 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.230 8.057 -29.958 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.864 7.564 -30.356 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.980 7.095 -28.144 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.362 8.799 -28.008 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.694 6.510 -26.509 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.286 7.413 -25.941 1.00 0.00 H new ATOM 1310 N ASP A 91 12.277 10.987 -28.360 1.00 0.00 N ATOM 1311 CA ASP A 91 12.117 11.949 -27.276 1.00 0.00 C ATOM 1312 C ASP A 91 12.113 13.376 -27.812 1.00 0.00 C ATOM 1313 O ASP A 91 11.178 14.138 -27.568 1.00 0.00 O ATOM 1314 CB ASP A 91 13.236 11.780 -26.246 1.00 0.00 C ATOM 1315 CG ASP A 91 12.787 10.992 -25.030 1.00 0.00 C ATOM 1316 OD1 ASP A 91 12.410 9.813 -25.193 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.814 11.556 -23.915 1.00 0.00 O ATOM 0 H ASP A 91 13.198 10.550 -28.406 1.00 0.00 H new ATOM 0 HA ASP A 91 11.158 11.759 -26.793 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.082 11.274 -26.712 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.587 12.762 -25.930 1.00 0.00 H new ATOM 1322 N GLN A 92 13.162 13.732 -28.546 1.00 0.00 N ATOM 1323 CA GLN A 92 13.277 15.067 -29.120 1.00 0.00 C ATOM 1324 C GLN A 92 13.693 16.084 -28.061 1.00 0.00 C ATOM 1325 O GLN A 92 13.638 17.292 -28.291 1.00 0.00 O ATOM 1326 CB GLN A 92 11.949 15.489 -29.754 1.00 0.00 C ATOM 1327 CG GLN A 92 12.114 16.327 -31.011 1.00 0.00 C ATOM 1328 CD GLN A 92 11.438 15.707 -32.218 1.00 0.00 C ATOM 1329 OE1 GLN A 92 10.331 16.094 -32.591 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.103 14.737 -32.835 1.00 0.00 N ATOM 0 H GLN A 92 13.945 13.114 -28.757 1.00 0.00 H new ATOM 0 HA GLN A 92 14.048 15.037 -29.890 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.372 14.597 -29.996 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.371 16.055 -29.023 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.700 17.320 -30.838 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.176 16.456 -31.220 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.019 14.448 -32.491 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.698 14.281 -33.653 1.00 0.00 H new ATOM 1339 N LYS A 93 14.109 15.587 -26.900 1.00 0.00 N ATOM 1340 CA LYS A 93 14.536 16.453 -25.807 1.00 0.00 C ATOM 1341 C LYS A 93 16.027 16.752 -25.906 1.00 0.00 C ATOM 1342 O LYS A 93 16.860 15.958 -25.468 1.00 0.00 O ATOM 1343 CB LYS A 93 14.221 15.803 -24.458 1.00 0.00 C ATOM 1344 CG LYS A 93 12.748 15.853 -24.089 1.00 0.00 C ATOM 1345 CD LYS A 93 11.862 15.690 -25.313 1.00 0.00 C ATOM 1346 CE LYS A 93 10.434 15.341 -24.929 1.00 0.00 C ATOM 1347 NZ LYS A 93 9.454 16.310 -25.495 1.00 0.00 N ATOM 0 H LYS A 93 14.159 14.590 -26.692 1.00 0.00 H new ATOM 0 HA LYS A 93 13.988 17.392 -25.884 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.546 14.763 -24.480 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.799 16.301 -23.680 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.525 15.065 -23.369 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.526 16.802 -23.601 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.868 16.613 -25.892 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.268 14.908 -25.955 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.198 14.337 -25.283 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.344 15.326 -23.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.492 16.037 -25.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.663 17.264 -25.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.522 16.306 -26.533 1.00 0.00 H new ATOM 1361 N TYR A 94 16.358 17.898 -26.490 1.00 0.00 N ATOM 1362 CA TYR A 94 17.751 18.298 -26.655 1.00 0.00 C ATOM 1363 C TYR A 94 18.036 19.619 -25.949 1.00 0.00 C ATOM 1364 O TYR A 94 17.120 20.383 -25.639 1.00 0.00 O ATOM 1365 CB TYR A 94 18.094 18.422 -28.140 1.00 0.00 C ATOM 1366 CG TYR A 94 17.654 19.731 -28.757 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.297 20.922 -28.442 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.593 19.777 -29.653 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.896 22.121 -29.003 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.186 20.971 -30.219 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.841 22.139 -29.891 1.00 0.00 C ATOM 1372 OH TYR A 94 16.438 23.330 -30.451 1.00 0.00 O ATOM 0 H TYR A 94 15.681 18.567 -26.857 1.00 0.00 H new ATOM 0 HA TYR A 94 18.374 17.527 -26.202 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.171 18.315 -28.265 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.627 17.600 -28.682 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.124 20.911 -27.747 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.077 18.864 -29.912 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.406 23.038 -28.747 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.360 20.989 -30.914 1.00 0.00 H new ATOM 0 HH TYR A 94 17.062 24.040 -30.194 1.00 0.00 H new ATOM 1382 N SER A 95 19.315 19.883 -25.706 1.00 0.00 N ATOM 1383 CA SER A 95 19.736 21.113 -25.045 1.00 0.00 C ATOM 1384 C SER A 95 20.808 21.817 -25.868 1.00 0.00 C ATOM 1385 O SER A 95 21.492 21.190 -26.677 1.00 0.00 O ATOM 1386 CB SER A 95 20.267 20.808 -23.643 1.00 0.00 C ATOM 1387 OG SER A 95 20.598 19.437 -23.508 1.00 0.00 O ATOM 0 H SER A 95 20.081 19.259 -25.958 1.00 0.00 H new ATOM 0 HA SER A 95 18.872 21.772 -24.958 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.148 21.419 -23.444 1.00 0.00 H new ATOM 0 HB3 SER A 95 19.517 21.079 -22.900 1.00 0.00 H new ATOM 0 HG SER A 95 21.567 19.344 -23.394 1.00 0.00 H new ATOM 1393 N PHE A 96 20.951 23.122 -25.661 1.00 0.00 N ATOM 1394 CA PHE A 96 21.941 23.905 -26.391 1.00 0.00 C ATOM 1395 C PHE A 96 23.305 23.835 -25.712 1.00 0.00 C ATOM 1396 O PHE A 96 23.496 23.083 -24.758 1.00 0.00 O ATOM 1397 CB PHE A 96 21.487 25.360 -26.508 1.00 0.00 C ATOM 1398 CG PHE A 96 20.476 25.581 -27.595 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.636 24.986 -28.837 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.366 26.379 -27.376 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.705 25.182 -29.839 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.433 26.580 -28.374 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.603 25.981 -29.608 1.00 0.00 C ATOM 0 H PHE A 96 20.395 23.659 -24.995 1.00 0.00 H new ATOM 0 HA PHE A 96 22.035 23.481 -27.391 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.062 25.678 -25.556 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.356 25.990 -26.696 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.498 24.362 -29.023 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.228 26.850 -26.414 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.839 24.711 -30.802 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.571 27.205 -28.190 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.875 26.138 -30.390 1.00 0.00 H new ATOM 1413 N CYS A 97 24.250 24.622 -26.215 1.00 0.00 N ATOM 1414 CA CYS A 97 25.598 24.650 -25.661 1.00 0.00 C ATOM 1415 C CYS A 97 26.268 25.995 -25.921 1.00 0.00 C ATOM 1416 O CYS A 97 26.066 26.607 -26.970 1.00 0.00 O ATOM 1417 CB CYS A 97 26.438 23.524 -26.264 1.00 0.00 C ATOM 1418 SG CYS A 97 26.223 21.912 -25.445 1.00 0.00 S ATOM 0 H CYS A 97 24.107 25.250 -27.006 1.00 0.00 H new ATOM 0 HA CYS A 97 25.525 24.506 -24.583 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.183 23.420 -27.319 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.490 23.805 -26.217 1.00 0.00 H new ATOM 1423 N THR A 98 27.066 26.450 -24.960 1.00 0.00 N ATOM 1424 CA THR A 98 27.767 27.723 -25.085 1.00 0.00 C ATOM 1425 C THR A 98 29.176 27.525 -25.638 1.00 0.00 C ATOM 1426 O THR A 98 29.971 28.464 -25.688 1.00 0.00 O ATOM 1427 CB THR A 98 27.857 28.452 -23.731 1.00 0.00 C ATOM 1428 OG1 THR A 98 28.784 29.541 -23.820 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.298 27.495 -22.633 1.00 0.00 C ATOM 0 H THR A 98 27.243 25.956 -24.086 1.00 0.00 H new ATOM 0 HA THR A 98 27.190 28.333 -25.780 1.00 0.00 H new ATOM 0 HB THR A 98 26.868 28.837 -23.484 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.114 29.616 -24.740 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.355 28.030 -21.685 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.577 26.682 -22.548 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.278 27.086 -22.879 1.00 0.00 H new ATOM 1437 N ASP A 99 29.480 26.298 -26.053 1.00 0.00 N ATOM 1438 CA ASP A 99 30.793 25.980 -26.604 1.00 0.00 C ATOM 1439 C ASP A 99 31.828 25.830 -25.495 1.00 0.00 C ATOM 1440 O ASP A 99 32.488 24.797 -25.382 1.00 0.00 O ATOM 1441 CB ASP A 99 31.235 27.066 -27.586 1.00 0.00 C ATOM 1442 CG ASP A 99 30.137 27.443 -28.560 1.00 0.00 C ATOM 1443 OD1 ASP A 99 29.085 26.770 -28.558 1.00 0.00 O ATOM 1444 OD2 ASP A 99 30.329 28.413 -29.324 1.00 0.00 O ATOM 0 H ASP A 99 28.835 25.509 -26.018 1.00 0.00 H new ATOM 0 HA ASP A 99 30.715 25.031 -27.134 1.00 0.00 H new ATOM 0 HB2 ASP A 99 31.544 27.951 -27.030 1.00 0.00 H new ATOM 0 HB3 ASP A 99 32.106 26.718 -28.141 1.00 0.00 H new ATOM 1449 N HIS A 100 31.963 26.870 -24.678 1.00 0.00 N ATOM 1450 CA HIS A 100 32.916 26.858 -23.576 1.00 0.00 C ATOM 1451 C HIS A 100 32.233 27.221 -22.263 1.00 0.00 C ATOM 1452 O HIS A 100 31.059 27.593 -22.243 1.00 0.00 O ATOM 1453 CB HIS A 100 34.062 27.832 -23.853 1.00 0.00 C ATOM 1454 CG HIS A 100 35.358 27.156 -24.175 1.00 0.00 C ATOM 1455 ND1 HIS A 100 35.796 26.020 -23.527 1.00 0.00 N ATOM 1456 CD2 HIS A 100 36.314 27.459 -25.084 1.00 0.00 C ATOM 1457 CE1 HIS A 100 36.965 25.655 -24.023 1.00 0.00 C ATOM 1458 NE2 HIS A 100 37.300 26.512 -24.969 1.00 0.00 N ATOM 0 H HIS A 100 31.424 27.732 -24.759 1.00 0.00 H new ATOM 0 HA HIS A 100 33.319 25.849 -23.489 1.00 0.00 H new ATOM 0 HB2 HIS A 100 33.784 28.480 -24.684 1.00 0.00 H new ATOM 0 HB3 HIS A 100 34.202 28.472 -22.982 1.00 0.00 H new ATOM 0 HD2 HIS A 100 36.303 28.291 -25.772 1.00 0.00 H new ATOM 0 HE1 HIS A 100 37.547 24.801 -23.708 1.00 0.00 H new ATOM 0 HE2 HIS A 100 38.154 26.476 -25.525 1.00 0.00 H new ATOM 1467 N THR A 101 32.976 27.110 -21.167 1.00 0.00 N ATOM 1468 CA THR A 101 32.444 27.427 -19.849 1.00 0.00 C ATOM 1469 C THR A 101 32.036 28.894 -19.757 1.00 0.00 C ATOM 1470 O THR A 101 31.456 29.406 -20.737 1.00 0.00 O ATOM 1471 CB THR A 101 33.470 27.118 -18.742 1.00 0.00 C ATOM 1472 OG1 THR A 101 34.790 27.066 -19.298 1.00 0.00 O ATOM 1473 CG2 THR A 101 33.151 25.796 -18.060 1.00 0.00 C ATOM 1474 OXT THR A 101 32.299 29.519 -18.708 1.00 0.00 O ATOM 0 H THR A 101 33.949 26.803 -21.167 1.00 0.00 H new ATOM 0 HA THR A 101 31.564 26.801 -19.704 1.00 0.00 H new ATOM 0 HB THR A 101 33.419 27.914 -17.999 1.00 0.00 H new ATOM 0 HG1 THR A 101 35.437 26.871 -18.588 1.00 0.00 H new ATOM 0 HG21 THR A 101 33.889 25.600 -17.283 1.00 0.00 H new ATOM 0 HG22 THR A 101 32.158 25.847 -17.613 1.00 0.00 H new ATOM 0 HG23 THR A 101 33.176 24.992 -18.795 1.00 0.00 H new TER 1482 THR A 101