USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=34 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 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Set 2.1: A 50 ASN :FLIP amide:sc= -1.05 F(o=-4.3!,f=-2.4) USER MOD Set 2.2: A 51 SER OG : rot 76:sc= 0.642 USER MOD Set 2.3: A 84 THR OG1 : rot 87:sc= -2.02! USER MOD Set 2.4: A 85 THR OG1 : rot 180:sc= -0.0027 USER MOD Set 3.1: A 20 LYS NZ :NH3+ 170:sc= 0.0411 (180deg=0.0929) USER MOD Set 3.2: A 27 MET CE :methyl 180:sc= -0.256 (180deg=-0.254) USER MOD Set 4.1: A 3 HIS : no HD1:sc= -1.71 X(o=-1.8,f=-2.1) USER MOD Set 4.2: A 13 SER OG : rot -70:sc= -0.143 USER MOD Single : A 1 TYR N :NH3+ 176:sc= 0 (180deg=-0.00811) 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 -49:sc= 0.845 USER MOD Single : A 12 TYR OH : rot -97:sc= 1.86 USER MOD Single : A 16 MET CE :methyl 147:sc= -0.219 (180deg=-1.47!) 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 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.33) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.057) USER MOD Single : A 30 THR OG1 : rot -131:sc= -1.85 USER MOD Single : A 34 ASN : amide:sc= -4.27! C(o=-4.3!,f=-7.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 158:sc= 1.96 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 62:sc= -0.488! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.28! C(o=-1.3!,f=-1.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -3.31! USER MOD Single : A 63 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.42) 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 -89:sc= -0.354! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 72 THR OG1 : rot 54:sc= 0.16 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-6.3!) USER MOD Single : A 83 SER OG : rot -87:sc= -0.155 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.0028) USER MOD Single : A 90 GLN : amide:sc= 0.0445 K(o=0.044,f=-0.63) USER MOD Single : A 93 LYS NZ :NH3+ -154:sc= 0.903 (180deg=0.221) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 93:sc= -0.929! USER MOD Single : A 98 THR OG1 : rot 170:sc= 0.047 USER MOD Single : A 100 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.54) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 52.826 6.239 -41.697 1.00 0.00 N ATOM 2 CA TYR A 1 52.985 7.659 -42.109 1.00 0.00 C ATOM 3 C TYR A 1 51.640 8.373 -42.161 1.00 0.00 C ATOM 4 O TYR A 1 51.080 8.588 -43.236 1.00 0.00 O ATOM 5 CB TYR A 1 53.653 7.693 -43.485 1.00 0.00 C ATOM 6 CG TYR A 1 55.151 7.891 -43.428 1.00 0.00 C ATOM 7 CD1 TYR A 1 55.896 7.396 -42.365 1.00 0.00 C ATOM 8 CD2 TYR A 1 55.819 8.572 -44.437 1.00 0.00 C ATOM 9 CE1 TYR A 1 57.266 7.574 -42.310 1.00 0.00 C ATOM 10 CE2 TYR A 1 57.188 8.754 -44.389 1.00 0.00 C ATOM 11 CZ TYR A 1 57.906 8.253 -43.324 1.00 0.00 C ATOM 12 OH TYR A 1 59.270 8.433 -43.274 1.00 0.00 O ATOM 0 H1 TYR A 1 53.749 5.761 -41.736 1.00 0.00 H new ATOM 0 H2 TYR A 1 52.456 6.199 -40.726 1.00 0.00 H new ATOM 0 H3 TYR A 1 52.162 5.763 -42.341 1.00 0.00 H new ATOM 0 HA TYR A 1 53.603 8.177 -41.376 1.00 0.00 H new ATOM 0 HB2 TYR A 1 53.438 6.760 -44.007 1.00 0.00 H new ATOM 0 HB3 TYR A 1 53.211 8.497 -44.074 1.00 0.00 H new ATOM 0 HD1 TYR A 1 55.397 6.864 -41.569 1.00 0.00 H new ATOM 0 HD2 TYR A 1 55.260 8.966 -45.273 1.00 0.00 H new ATOM 0 HE1 TYR A 1 57.831 7.183 -41.477 1.00 0.00 H new ATOM 0 HE2 TYR A 1 57.693 9.286 -45.182 1.00 0.00 H new ATOM 0 HH TYR A 1 59.564 8.930 -44.066 1.00 0.00 H new ATOM 24 N GLY A 2 51.124 8.741 -40.992 1.00 0.00 N ATOM 25 CA GLY A 2 49.849 9.430 -40.929 1.00 0.00 C ATOM 26 C GLY A 2 48.863 8.742 -40.006 1.00 0.00 C ATOM 27 O GLY A 2 48.313 9.368 -39.100 1.00 0.00 O ATOM 0 H GLY A 2 51.566 8.574 -40.088 1.00 0.00 H new ATOM 0 HA2 GLY A 2 50.009 10.453 -40.588 1.00 0.00 H new ATOM 0 HA3 GLY A 2 49.423 9.491 -41.930 1.00 0.00 H new ATOM 31 N HIS A 3 48.640 7.453 -40.236 1.00 0.00 N ATOM 32 CA HIS A 3 47.714 6.681 -39.416 1.00 0.00 C ATOM 33 C HIS A 3 47.970 6.926 -37.933 1.00 0.00 C ATOM 34 O HIS A 3 49.090 7.234 -37.528 1.00 0.00 O ATOM 35 CB HIS A 3 47.844 5.190 -39.730 1.00 0.00 C ATOM 36 CG HIS A 3 46.896 4.717 -40.787 1.00 0.00 C ATOM 37 ND1 HIS A 3 47.023 5.055 -42.118 1.00 0.00 N ATOM 38 CD2 HIS A 3 45.800 3.925 -40.707 1.00 0.00 C ATOM 39 CE1 HIS A 3 46.047 4.493 -42.810 1.00 0.00 C ATOM 40 NE2 HIS A 3 45.293 3.801 -41.976 1.00 0.00 N ATOM 0 H HIS A 3 49.087 6.921 -40.983 1.00 0.00 H new ATOM 0 HA HIS A 3 46.700 7.006 -39.650 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.865 4.982 -40.050 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.673 4.619 -38.818 1.00 0.00 H new ATOM 0 HD2 HIS A 3 45.400 3.475 -39.811 1.00 0.00 H new ATOM 0 HE1 HIS A 3 45.893 4.584 -43.875 1.00 0.00 H new ATOM 0 HE2 HIS A 3 44.467 3.261 -42.233 1.00 0.00 H new ATOM 49 N CYS A 4 46.922 6.789 -37.126 1.00 0.00 N ATOM 50 CA CYS A 4 47.035 6.996 -35.686 1.00 0.00 C ATOM 51 C CYS A 4 46.842 5.685 -34.931 1.00 0.00 C ATOM 52 O CYS A 4 46.244 4.742 -35.449 1.00 0.00 O ATOM 53 CB CYS A 4 46.008 8.030 -35.220 1.00 0.00 C ATOM 54 SG CYS A 4 44.565 8.181 -36.327 1.00 0.00 S ATOM 0 H CYS A 4 45.986 6.536 -37.444 1.00 0.00 H new ATOM 0 HA CYS A 4 48.037 7.369 -35.472 1.00 0.00 H new ATOM 0 HB2 CYS A 4 45.662 7.761 -34.222 1.00 0.00 H new ATOM 0 HB3 CYS A 4 46.495 9.002 -35.138 1.00 0.00 H new ATOM 59 N VAL A 5 47.356 5.630 -33.706 1.00 0.00 N ATOM 60 CA VAL A 5 47.242 4.431 -32.884 1.00 0.00 C ATOM 61 C VAL A 5 47.186 4.781 -31.401 1.00 0.00 C ATOM 62 O VAL A 5 47.050 5.949 -31.033 1.00 0.00 O ATOM 63 CB VAL A 5 48.422 3.473 -33.129 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.637 3.262 -34.621 1.00 0.00 C ATOM 65 CG2 VAL A 5 49.687 4.005 -32.471 1.00 0.00 C ATOM 0 H VAL A 5 47.855 6.401 -33.262 1.00 0.00 H new ATOM 0 HA VAL A 5 46.314 3.937 -33.171 1.00 0.00 H new ATOM 0 HB VAL A 5 48.184 2.509 -32.679 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.475 2.582 -34.775 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.737 2.834 -35.061 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.854 4.219 -35.096 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.510 3.315 -32.655 1.00 0.00 H new ATOM 0 HG22 VAL A 5 49.932 4.981 -32.889 1.00 0.00 H new ATOM 0 HG23 VAL A 5 49.526 4.100 -31.397 1.00 0.00 H new ATOM 75 N THR A 6 47.289 3.763 -30.553 1.00 0.00 N ATOM 76 CA THR A 6 47.248 3.964 -29.109 1.00 0.00 C ATOM 77 C THR A 6 47.554 2.669 -28.363 1.00 0.00 C ATOM 78 O THR A 6 46.710 1.778 -28.275 1.00 0.00 O ATOM 79 CB THR A 6 45.873 4.491 -28.655 1.00 0.00 C ATOM 80 OG1 THR A 6 45.896 4.776 -27.252 1.00 0.00 O ATOM 81 CG2 THR A 6 44.781 3.475 -28.955 1.00 0.00 C ATOM 0 H THR A 6 47.401 2.791 -30.841 1.00 0.00 H new ATOM 0 HA THR A 6 48.011 4.705 -28.872 1.00 0.00 H new ATOM 0 HB THR A 6 45.658 5.406 -29.206 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.019 5.112 -26.972 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.819 3.867 -28.626 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.747 3.283 -30.027 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.993 2.546 -28.426 1.00 0.00 H new ATOM 89 N ASP A 7 48.767 2.574 -27.825 1.00 0.00 N ATOM 90 CA ASP A 7 49.184 1.388 -27.083 1.00 0.00 C ATOM 91 C ASP A 7 49.479 0.225 -28.024 1.00 0.00 C ATOM 92 O ASP A 7 49.732 -0.895 -27.580 1.00 0.00 O ATOM 93 CB ASP A 7 48.103 0.983 -26.078 1.00 0.00 C ATOM 94 CG ASP A 7 48.676 0.649 -24.715 1.00 0.00 C ATOM 95 OD1 ASP A 7 49.754 0.021 -24.661 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.045 1.015 -23.701 1.00 0.00 O ATOM 0 H ASP A 7 49.477 3.303 -27.889 1.00 0.00 H new ATOM 0 HA ASP A 7 50.100 1.634 -26.545 1.00 0.00 H new ATOM 0 HB2 ASP A 7 47.382 1.795 -25.977 1.00 0.00 H new ATOM 0 HB3 ASP A 7 47.559 0.120 -26.462 1.00 0.00 H new ATOM 101 N SER A 8 49.449 0.495 -29.325 1.00 0.00 N ATOM 102 CA SER A 8 49.717 -0.534 -30.323 1.00 0.00 C ATOM 103 C SER A 8 48.595 -1.569 -30.356 1.00 0.00 C ATOM 104 O SER A 8 48.816 -2.725 -30.718 1.00 0.00 O ATOM 105 CB SER A 8 51.052 -1.220 -30.029 1.00 0.00 C ATOM 106 OG SER A 8 50.884 -2.292 -29.119 1.00 0.00 O ATOM 0 H SER A 8 49.242 1.416 -29.712 1.00 0.00 H new ATOM 0 HA SER A 8 49.769 -0.053 -31.300 1.00 0.00 H new ATOM 0 HB2 SER A 8 51.486 -1.591 -30.957 1.00 0.00 H new ATOM 0 HB3 SER A 8 51.754 -0.495 -29.617 1.00 0.00 H new ATOM 0 HG SER A 8 50.360 -1.988 -28.349 1.00 0.00 H new ATOM 112 N GLY A 9 47.394 -1.145 -29.978 1.00 0.00 N ATOM 113 CA GLY A 9 46.256 -2.047 -29.972 1.00 0.00 C ATOM 114 C GLY A 9 45.186 -1.633 -30.963 1.00 0.00 C ATOM 115 O GLY A 9 44.304 -2.423 -31.302 1.00 0.00 O ATOM 0 H GLY A 9 47.188 -0.193 -29.676 1.00 0.00 H new ATOM 0 HA2 GLY A 9 46.594 -3.056 -30.207 1.00 0.00 H new ATOM 0 HA3 GLY A 9 45.827 -2.080 -28.971 1.00 0.00 H new ATOM 119 N VAL A 10 45.265 -0.392 -31.430 1.00 0.00 N ATOM 120 CA VAL A 10 44.299 0.129 -32.389 1.00 0.00 C ATOM 121 C VAL A 10 44.997 0.882 -33.516 1.00 0.00 C ATOM 122 O VAL A 10 45.988 1.576 -33.291 1.00 0.00 O ATOM 123 CB VAL A 10 43.284 1.066 -31.711 1.00 0.00 C ATOM 124 CG1 VAL A 10 42.120 1.361 -32.645 1.00 0.00 C ATOM 125 CG2 VAL A 10 42.789 0.461 -30.405 1.00 0.00 C ATOM 0 H VAL A 10 45.990 0.273 -31.159 1.00 0.00 H new ATOM 0 HA VAL A 10 43.769 -0.729 -32.803 1.00 0.00 H new ATOM 0 HB VAL A 10 43.783 2.008 -31.483 1.00 0.00 H new ATOM 0 HG11 VAL A 10 41.413 2.025 -32.147 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.492 1.840 -33.550 1.00 0.00 H new ATOM 0 HG13 VAL A 10 41.619 0.429 -32.908 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.072 1.137 -29.939 1.00 0.00 H new ATOM 0 HG22 VAL A 10 42.307 -0.496 -30.607 1.00 0.00 H new ATOM 0 HG23 VAL A 10 43.633 0.308 -29.732 1.00 0.00 H new ATOM 135 N VAL A 11 44.478 0.739 -34.731 1.00 0.00 N ATOM 136 CA VAL A 11 45.055 1.405 -35.891 1.00 0.00 C ATOM 137 C VAL A 11 44.085 2.417 -36.493 1.00 0.00 C ATOM 138 O VAL A 11 43.308 2.090 -37.389 1.00 0.00 O ATOM 139 CB VAL A 11 45.459 0.392 -36.979 1.00 0.00 C ATOM 140 CG1 VAL A 11 46.393 1.039 -37.991 1.00 0.00 C ATOM 141 CG2 VAL A 11 46.106 -0.834 -36.354 1.00 0.00 C ATOM 0 H VAL A 11 43.659 0.168 -34.937 1.00 0.00 H new ATOM 0 HA VAL A 11 45.945 1.927 -35.539 1.00 0.00 H new ATOM 0 HB VAL A 11 44.559 0.072 -37.503 1.00 0.00 H new ATOM 0 HG11 VAL A 11 46.668 0.308 -38.752 1.00 0.00 H new ATOM 0 HG12 VAL A 11 45.890 1.883 -38.463 1.00 0.00 H new ATOM 0 HG13 VAL A 11 47.292 1.390 -37.484 1.00 0.00 H new ATOM 0 HG21 VAL A 11 46.384 -1.538 -37.138 1.00 0.00 H new ATOM 0 HG22 VAL A 11 46.997 -0.534 -35.803 1.00 0.00 H new ATOM 0 HG23 VAL A 11 45.401 -1.310 -35.673 1.00 0.00 H new ATOM 151 N TYR A 12 44.142 3.648 -35.997 1.00 0.00 N ATOM 152 CA TYR A 12 43.276 4.713 -36.486 1.00 0.00 C ATOM 153 C TYR A 12 43.861 5.343 -37.746 1.00 0.00 C ATOM 154 O TYR A 12 44.824 4.831 -38.316 1.00 0.00 O ATOM 155 CB TYR A 12 43.092 5.784 -35.408 1.00 0.00 C ATOM 156 CG TYR A 12 42.285 5.322 -34.221 1.00 0.00 C ATOM 157 CD1 TYR A 12 40.900 5.254 -34.283 1.00 0.00 C ATOM 158 CD2 TYR A 12 42.910 4.954 -33.038 1.00 0.00 C ATOM 159 CE1 TYR A 12 40.160 4.830 -33.195 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.178 4.529 -31.947 1.00 0.00 C ATOM 161 CZ TYR A 12 40.803 4.469 -32.030 1.00 0.00 C ATOM 162 OH TYR A 12 40.070 4.046 -30.946 1.00 0.00 O ATOM 0 H TYR A 12 44.781 3.933 -35.255 1.00 0.00 H new ATOM 0 HA TYR A 12 42.305 4.281 -36.728 1.00 0.00 H new ATOM 0 HB2 TYR A 12 44.073 6.111 -35.063 1.00 0.00 H new ATOM 0 HB3 TYR A 12 42.604 6.652 -35.851 1.00 0.00 H new ATOM 0 HD1 TYR A 12 40.393 5.536 -35.194 1.00 0.00 H new ATOM 0 HD2 TYR A 12 43.987 5.001 -32.969 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.083 4.782 -33.257 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.680 4.245 -31.034 1.00 0.00 H new ATOM 0 HH TYR A 12 39.937 4.795 -30.328 1.00 0.00 H new ATOM 172 N SER A 13 43.278 6.458 -38.175 1.00 0.00 N ATOM 173 CA SER A 13 43.749 7.156 -39.365 1.00 0.00 C ATOM 174 C SER A 13 43.753 8.665 -39.145 1.00 0.00 C ATOM 175 O SER A 13 42.899 9.201 -38.442 1.00 0.00 O ATOM 176 CB SER A 13 42.874 6.803 -40.567 1.00 0.00 C ATOM 177 OG SER A 13 43.298 5.594 -41.170 1.00 0.00 O ATOM 0 H SER A 13 42.479 6.897 -37.717 1.00 0.00 H new ATOM 0 HA SER A 13 44.772 6.836 -39.564 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.835 6.710 -40.250 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.913 7.610 -41.298 1.00 0.00 H new ATOM 0 HG SER A 13 44.160 5.735 -41.614 1.00 0.00 H new ATOM 183 N VAL A 14 44.726 9.341 -39.750 1.00 0.00 N ATOM 184 CA VAL A 14 44.852 10.788 -39.621 1.00 0.00 C ATOM 185 C VAL A 14 43.495 11.477 -39.728 1.00 0.00 C ATOM 186 O VAL A 14 43.072 11.876 -40.812 1.00 0.00 O ATOM 187 CB VAL A 14 45.793 11.367 -40.694 1.00 0.00 C ATOM 188 CG1 VAL A 14 45.401 10.864 -42.075 1.00 0.00 C ATOM 189 CG2 VAL A 14 45.781 12.888 -40.650 1.00 0.00 C ATOM 0 H VAL A 14 45.440 8.908 -40.336 1.00 0.00 H new ATOM 0 HA VAL A 14 45.273 10.978 -38.634 1.00 0.00 H new ATOM 0 HB VAL A 14 46.807 11.028 -40.483 1.00 0.00 H new ATOM 0 HG11 VAL A 14 46.077 11.283 -42.820 1.00 0.00 H new ATOM 0 HG12 VAL A 14 45.466 9.776 -42.098 1.00 0.00 H new ATOM 0 HG13 VAL A 14 44.379 11.171 -42.298 1.00 0.00 H new ATOM 0 HG21 VAL A 14 46.452 13.279 -41.415 1.00 0.00 H new ATOM 0 HG22 VAL A 14 44.769 13.249 -40.835 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.113 13.226 -39.669 1.00 0.00 H new ATOM 199 N GLY A 15 42.820 11.613 -38.593 1.00 0.00 N ATOM 200 CA GLY A 15 41.519 12.255 -38.572 1.00 0.00 C ATOM 201 C GLY A 15 40.409 11.312 -38.153 1.00 0.00 C ATOM 202 O GLY A 15 39.231 11.594 -38.376 1.00 0.00 O ATOM 0 H GLY A 15 43.151 11.289 -37.684 1.00 0.00 H new ATOM 0 HA2 GLY A 15 41.548 13.103 -37.888 1.00 0.00 H new ATOM 0 HA3 GLY A 15 41.298 12.652 -39.563 1.00 0.00 H new ATOM 206 N MET A 16 40.779 10.192 -37.542 1.00 0.00 N ATOM 207 CA MET A 16 39.801 9.211 -37.092 1.00 0.00 C ATOM 208 C MET A 16 39.756 9.150 -35.569 1.00 0.00 C ATOM 209 O MET A 16 39.913 8.082 -34.978 1.00 0.00 O ATOM 210 CB MET A 16 40.131 7.830 -37.661 1.00 0.00 C ATOM 211 CG MET A 16 38.913 7.075 -38.166 1.00 0.00 C ATOM 212 SD MET A 16 38.357 5.803 -37.015 1.00 0.00 S ATOM 213 CE MET A 16 39.501 4.479 -37.396 1.00 0.00 C ATOM 0 H MET A 16 41.749 9.942 -37.347 1.00 0.00 H new ATOM 0 HA MET A 16 38.821 9.519 -37.455 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.843 7.943 -38.479 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.623 7.236 -36.890 1.00 0.00 H new ATOM 0 HG2 MET A 16 38.101 7.780 -38.342 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.148 6.614 -39.125 1.00 0.00 H new ATOM 0 HE1 MET A 16 39.712 3.908 -36.491 1.00 0.00 H new ATOM 0 HE2 MET A 16 39.060 3.822 -38.145 1.00 0.00 H new ATOM 0 HE3 MET A 16 40.429 4.900 -37.784 1.00 0.00 H new ATOM 223 N GLN A 17 39.541 10.301 -34.941 1.00 0.00 N ATOM 224 CA GLN A 17 39.475 10.377 -33.487 1.00 0.00 C ATOM 225 C GLN A 17 38.568 9.285 -32.934 1.00 0.00 C ATOM 226 O GLN A 17 38.014 8.486 -33.688 1.00 0.00 O ATOM 227 CB GLN A 17 38.965 11.749 -33.046 1.00 0.00 C ATOM 228 CG GLN A 17 37.688 12.177 -33.743 1.00 0.00 C ATOM 229 CD GLN A 17 36.529 12.342 -32.779 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.404 13.369 -32.111 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.674 11.329 -32.700 1.00 0.00 N ATOM 0 H GLN A 17 39.410 11.194 -35.416 1.00 0.00 H new ATOM 0 HA GLN A 17 40.481 10.231 -33.093 1.00 0.00 H new ATOM 0 HB2 GLN A 17 38.794 11.734 -31.970 1.00 0.00 H new ATOM 0 HB3 GLN A 17 39.739 12.493 -33.236 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.860 13.119 -34.264 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.425 11.438 -34.499 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.816 10.496 -33.272 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.876 11.384 -32.067 1.00 0.00 H new ATOM 240 N TRP A 18 38.419 9.252 -31.615 1.00 0.00 N ATOM 241 CA TRP A 18 37.576 8.251 -30.976 1.00 0.00 C ATOM 242 C TRP A 18 37.199 8.670 -29.554 1.00 0.00 C ATOM 243 O TRP A 18 37.285 9.847 -29.200 1.00 0.00 O ATOM 244 CB TRP A 18 38.284 6.894 -30.982 1.00 0.00 C ATOM 245 CG TRP A 18 39.623 6.923 -30.320 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.904 6.580 -29.033 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.865 7.316 -30.915 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.243 6.733 -28.786 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.859 7.187 -29.926 1.00 0.00 C ATOM 250 CE3 TRP A 18 41.235 7.765 -32.186 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.197 7.492 -30.173 1.00 0.00 C ATOM 252 CZ3 TRP A 18 42.562 8.066 -32.428 1.00 0.00 C ATOM 253 CH2 TRP A 18 43.527 7.927 -31.425 1.00 0.00 C ATOM 0 H TRP A 18 38.868 9.903 -30.971 1.00 0.00 H new ATOM 0 HA TRP A 18 36.649 8.164 -31.544 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.654 6.161 -30.479 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.403 6.559 -32.012 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.177 6.237 -28.311 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.707 6.541 -27.898 1.00 0.00 H new ATOM 0 HE3 TRP A 18 40.496 7.875 -32.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.946 7.388 -29.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.858 8.414 -33.407 1.00 0.00 H new ATOM 0 HH2 TRP A 18 44.556 8.169 -31.645 1.00 0.00 H new ATOM 264 N LEU A 19 36.762 7.706 -28.748 1.00 0.00 N ATOM 265 CA LEU A 19 36.346 7.977 -27.375 1.00 0.00 C ATOM 266 C LEU A 19 36.877 6.919 -26.422 1.00 0.00 C ATOM 267 O LEU A 19 37.067 5.762 -26.802 1.00 0.00 O ATOM 268 CB LEU A 19 34.817 8.031 -27.311 1.00 0.00 C ATOM 269 CG LEU A 19 34.189 7.784 -25.941 1.00 0.00 C ATOM 270 CD1 LEU A 19 33.779 9.105 -25.320 1.00 0.00 C ATOM 271 CD2 LEU A 19 32.986 6.863 -26.070 1.00 0.00 C ATOM 0 H LEU A 19 36.687 6.727 -29.023 1.00 0.00 H new ATOM 0 HA LEU A 19 36.759 8.937 -27.067 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.494 9.010 -27.664 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.419 7.294 -28.008 1.00 0.00 H new ATOM 0 HG LEU A 19 34.923 7.302 -25.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.331 8.924 -24.343 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.657 9.741 -25.205 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.054 9.601 -25.965 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.549 6.696 -25.086 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.244 7.323 -26.723 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.302 5.909 -26.494 1.00 0.00 H new ATOM 283 N LYS A 20 37.109 7.320 -25.179 1.00 0.00 N ATOM 284 CA LYS A 20 37.615 6.399 -24.167 1.00 0.00 C ATOM 285 C LYS A 20 37.119 6.787 -22.779 1.00 0.00 C ATOM 286 O LYS A 20 36.924 7.966 -22.485 1.00 0.00 O ATOM 287 CB LYS A 20 39.147 6.365 -24.187 1.00 0.00 C ATOM 288 CG LYS A 20 39.798 7.525 -23.451 1.00 0.00 C ATOM 289 CD LYS A 20 41.224 7.196 -23.040 1.00 0.00 C ATOM 290 CE LYS A 20 41.472 7.527 -21.576 1.00 0.00 C ATOM 291 NZ LYS A 20 42.843 8.062 -21.350 1.00 0.00 N ATOM 0 H LYS A 20 36.956 8.272 -24.847 1.00 0.00 H new ATOM 0 HA LYS A 20 37.238 5.404 -24.402 1.00 0.00 H new ATOM 0 HB2 LYS A 20 39.486 5.429 -23.742 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.487 6.367 -25.223 1.00 0.00 H new ATOM 0 HG2 LYS A 20 39.797 8.408 -24.090 1.00 0.00 H new ATOM 0 HG3 LYS A 20 39.211 7.771 -22.566 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.419 6.138 -23.213 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.922 7.755 -23.664 1.00 0.00 H new ATOM 0 HE2 LYS A 20 40.737 8.259 -21.240 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.328 6.631 -20.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.916 8.431 -20.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.539 7.301 -21.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.033 8.828 -22.027 1.00 0.00 H new ATOM 305 N THR A 21 36.919 5.787 -21.929 1.00 0.00 N ATOM 306 CA THR A 21 36.449 6.022 -20.571 1.00 0.00 C ATOM 307 C THR A 21 37.567 5.792 -19.560 1.00 0.00 C ATOM 308 O THR A 21 38.482 5.006 -19.800 1.00 0.00 O ATOM 309 CB THR A 21 35.261 5.108 -20.217 1.00 0.00 C ATOM 310 OG1 THR A 21 34.805 4.420 -21.389 1.00 0.00 O ATOM 311 CG2 THR A 21 34.118 5.917 -19.620 1.00 0.00 C ATOM 0 H THR A 21 37.075 4.805 -22.157 1.00 0.00 H new ATOM 0 HA THR A 21 36.122 7.061 -20.525 1.00 0.00 H new ATOM 0 HB THR A 21 35.597 4.381 -19.478 1.00 0.00 H new ATOM 0 HG1 THR A 21 34.051 3.840 -21.155 1.00 0.00 H new ATOM 0 HG21 THR A 21 33.289 5.252 -19.377 1.00 0.00 H new ATOM 0 HG22 THR A 21 34.460 6.416 -18.713 1.00 0.00 H new ATOM 0 HG23 THR A 21 33.785 6.663 -20.341 1.00 0.00 H new ATOM 319 N GLN A 22 37.484 6.483 -18.429 1.00 0.00 N ATOM 320 CA GLN A 22 38.488 6.354 -17.382 1.00 0.00 C ATOM 321 C GLN A 22 37.846 5.926 -16.066 1.00 0.00 C ATOM 322 O GLN A 22 38.328 6.270 -14.987 1.00 0.00 O ATOM 323 CB GLN A 22 39.233 7.677 -17.195 1.00 0.00 C ATOM 324 CG GLN A 22 40.295 7.931 -18.253 1.00 0.00 C ATOM 325 CD GLN A 22 41.658 7.407 -17.846 1.00 0.00 C ATOM 326 OE1 GLN A 22 42.052 6.306 -18.230 1.00 0.00 O ATOM 327 NE2 GLN A 22 42.387 8.195 -17.063 1.00 0.00 N ATOM 0 H GLN A 22 36.732 7.138 -18.215 1.00 0.00 H new ATOM 0 HA GLN A 22 39.199 5.586 -17.686 1.00 0.00 H new ATOM 0 HB2 GLN A 22 38.513 8.495 -17.211 1.00 0.00 H new ATOM 0 HB3 GLN A 22 39.703 7.684 -16.211 1.00 0.00 H new ATOM 0 HG2 GLN A 22 39.992 7.459 -19.188 1.00 0.00 H new ATOM 0 HG3 GLN A 22 40.364 9.002 -18.444 1.00 0.00 H new ATOM 0 HE21 GLN A 22 42.021 9.100 -16.768 1.00 0.00 H new ATOM 0 HE22 GLN A 22 43.312 7.895 -16.757 1.00 0.00 H new ATOM 336 N GLY A 23 36.754 5.175 -16.164 1.00 0.00 N ATOM 337 CA GLY A 23 36.062 4.714 -14.975 1.00 0.00 C ATOM 338 C GLY A 23 34.795 5.496 -14.701 1.00 0.00 C ATOM 339 O GLY A 23 33.690 4.964 -14.815 1.00 0.00 O ATOM 0 H GLY A 23 36.336 4.878 -17.046 1.00 0.00 H new ATOM 0 HA2 GLY A 23 35.816 3.658 -15.088 1.00 0.00 H new ATOM 0 HA3 GLY A 23 36.728 4.796 -14.116 1.00 0.00 H new ATOM 343 N ASN A 24 34.954 6.763 -14.340 1.00 0.00 N ATOM 344 CA ASN A 24 33.815 7.625 -14.046 1.00 0.00 C ATOM 345 C ASN A 24 33.854 8.894 -14.895 1.00 0.00 C ATOM 346 O ASN A 24 33.044 9.802 -14.706 1.00 0.00 O ATOM 347 CB ASN A 24 33.796 7.993 -12.562 1.00 0.00 C ATOM 348 CG ASN A 24 32.445 8.511 -12.110 1.00 0.00 C ATOM 349 OD1 ASN A 24 31.408 7.915 -12.401 1.00 0.00 O ATOM 350 ND2 ASN A 24 32.450 9.630 -11.394 1.00 0.00 N ATOM 0 H ASN A 24 35.862 7.218 -14.243 1.00 0.00 H new ATOM 0 HA ASN A 24 32.906 7.075 -14.290 1.00 0.00 H new ATOM 0 HB2 ASN A 24 34.062 7.117 -11.970 1.00 0.00 H new ATOM 0 HB3 ASN A 24 34.555 8.751 -12.369 1.00 0.00 H new ATOM 0 HD21 ASN A 24 31.571 10.027 -11.063 1.00 0.00 H new ATOM 0 HD22 ASN A 24 33.333 10.092 -11.175 1.00 0.00 H new ATOM 357 N LYS A 25 34.797 8.950 -15.829 1.00 0.00 N ATOM 358 CA LYS A 25 34.936 10.107 -16.706 1.00 0.00 C ATOM 359 C LYS A 25 34.904 9.687 -18.172 1.00 0.00 C ATOM 360 O LYS A 25 34.877 8.497 -18.485 1.00 0.00 O ATOM 361 CB LYS A 25 36.240 10.849 -16.403 1.00 0.00 C ATOM 362 CG LYS A 25 36.301 11.423 -14.998 1.00 0.00 C ATOM 363 CD LYS A 25 37.580 11.016 -14.284 1.00 0.00 C ATOM 364 CE LYS A 25 37.869 11.921 -13.097 1.00 0.00 C ATOM 365 NZ LYS A 25 39.328 12.021 -12.817 1.00 0.00 N ATOM 0 H LYS A 25 35.476 8.208 -15.998 1.00 0.00 H new ATOM 0 HA LYS A 25 34.095 10.775 -16.521 1.00 0.00 H new ATOM 0 HB2 LYS A 25 37.078 10.166 -16.544 1.00 0.00 H new ATOM 0 HB3 LYS A 25 36.363 11.658 -17.123 1.00 0.00 H new ATOM 0 HG2 LYS A 25 36.240 12.510 -15.045 1.00 0.00 H new ATOM 0 HG3 LYS A 25 35.439 11.080 -14.426 1.00 0.00 H new ATOM 0 HD2 LYS A 25 37.495 9.984 -13.944 1.00 0.00 H new ATOM 0 HD3 LYS A 25 38.416 11.053 -14.983 1.00 0.00 H new ATOM 0 HE2 LYS A 25 37.468 12.915 -13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 25 37.356 11.538 -12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 39.483 12.647 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 39.706 11.076 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 39.815 12.410 -13.649 1.00 0.00 H new ATOM 379 N GLN A 26 34.909 10.670 -19.066 1.00 0.00 N ATOM 380 CA GLN A 26 34.880 10.401 -20.498 1.00 0.00 C ATOM 381 C GLN A 26 35.999 11.149 -21.213 1.00 0.00 C ATOM 382 O GLN A 26 35.974 12.376 -21.312 1.00 0.00 O ATOM 383 CB GLN A 26 33.526 10.801 -21.087 1.00 0.00 C ATOM 384 CG GLN A 26 32.343 10.393 -20.225 1.00 0.00 C ATOM 385 CD GLN A 26 31.500 9.309 -20.867 1.00 0.00 C ATOM 386 OE1 GLN A 26 30.751 9.564 -21.810 1.00 0.00 O ATOM 387 NE2 GLN A 26 31.619 8.088 -20.357 1.00 0.00 N ATOM 0 H GLN A 26 34.933 11.660 -18.823 1.00 0.00 H new ATOM 0 HA GLN A 26 35.030 9.331 -20.645 1.00 0.00 H new ATOM 0 HB2 GLN A 26 33.506 11.882 -21.229 1.00 0.00 H new ATOM 0 HB3 GLN A 26 33.420 10.348 -22.073 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.706 10.042 -19.259 1.00 0.00 H new ATOM 0 HG3 GLN A 26 31.720 11.266 -20.033 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.252 7.921 -19.575 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.077 7.317 -20.748 1.00 0.00 H new ATOM 396 N MET A 27 36.979 10.404 -21.712 1.00 0.00 N ATOM 397 CA MET A 27 38.104 11.001 -22.418 1.00 0.00 C ATOM 398 C MET A 27 38.021 10.713 -23.913 1.00 0.00 C ATOM 399 O MET A 27 37.733 9.589 -24.324 1.00 0.00 O ATOM 400 CB MET A 27 39.425 10.480 -21.855 1.00 0.00 C ATOM 401 CG MET A 27 40.572 11.469 -21.984 1.00 0.00 C ATOM 402 SD MET A 27 41.813 10.939 -23.178 1.00 0.00 S ATOM 403 CE MET A 27 43.318 11.472 -22.367 1.00 0.00 C ATOM 0 H MET A 27 37.016 9.387 -21.640 1.00 0.00 H new ATOM 0 HA MET A 27 38.061 12.080 -22.272 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.289 10.229 -20.803 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.692 9.557 -22.371 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.178 12.440 -22.282 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.043 11.602 -21.010 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.177 11.213 -22.987 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.289 12.552 -22.220 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.405 10.976 -21.400 1.00 0.00 H new ATOM 413 N LEU A 28 38.274 11.737 -24.720 1.00 0.00 N ATOM 414 CA LEU A 28 38.226 11.607 -26.172 1.00 0.00 C ATOM 415 C LEU A 28 39.609 11.743 -26.760 1.00 0.00 C ATOM 416 O LEU A 28 40.377 12.615 -26.367 1.00 0.00 O ATOM 417 CB LEU A 28 37.305 12.657 -26.757 1.00 0.00 C ATOM 418 CG LEU A 28 35.911 12.638 -26.162 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.925 13.298 -27.090 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.466 11.222 -25.871 1.00 0.00 C ATOM 0 H LEU A 28 38.516 12.672 -24.391 1.00 0.00 H new ATOM 0 HA LEU A 28 37.840 10.619 -26.421 1.00 0.00 H new ATOM 0 HB2 LEU A 28 37.745 13.642 -26.601 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.234 12.507 -27.834 1.00 0.00 H new ATOM 0 HG LEU A 28 35.944 13.195 -25.226 1.00 0.00 H new ATOM 0 HD11 LEU A 28 33.931 13.273 -26.643 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.221 14.333 -27.259 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.908 12.766 -28.041 1.00 0.00 H new ATOM 0 HD21 LEU A 28 34.463 11.236 -25.445 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.459 10.645 -26.796 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.155 10.763 -25.162 1.00 0.00 H new ATOM 432 N CYS A 29 39.919 10.870 -27.695 1.00 0.00 N ATOM 433 CA CYS A 29 41.227 10.877 -28.335 1.00 0.00 C ATOM 434 C CYS A 29 41.114 11.125 -29.833 1.00 0.00 C ATOM 435 O CYS A 29 40.489 10.351 -30.557 1.00 0.00 O ATOM 436 CB CYS A 29 41.942 9.552 -28.078 1.00 0.00 C ATOM 437 SG CYS A 29 42.898 9.505 -26.526 1.00 0.00 S ATOM 0 H CYS A 29 39.286 10.144 -28.032 1.00 0.00 H new ATOM 0 HA CYS A 29 41.807 11.693 -27.903 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.203 8.751 -28.060 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.614 9.347 -28.911 1.00 0.00 H new ATOM 442 N THR A 30 41.732 12.208 -30.292 1.00 0.00 N ATOM 443 CA THR A 30 41.708 12.553 -31.706 1.00 0.00 C ATOM 444 C THR A 30 43.109 12.577 -32.289 1.00 0.00 C ATOM 445 O THR A 30 44.054 13.039 -31.647 1.00 0.00 O ATOM 446 CB THR A 30 41.058 13.928 -31.955 1.00 0.00 C ATOM 447 OG1 THR A 30 39.683 13.902 -31.553 1.00 0.00 O ATOM 448 CG2 THR A 30 41.158 14.313 -33.427 1.00 0.00 C ATOM 0 H THR A 30 42.254 12.860 -29.706 1.00 0.00 H new ATOM 0 HA THR A 30 41.113 11.782 -32.195 1.00 0.00 H new ATOM 0 HB THR A 30 41.592 14.672 -31.363 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.126 14.274 -32.268 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.693 15.287 -33.581 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.207 14.361 -33.720 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.646 13.566 -34.034 1.00 0.00 H new ATOM 456 N CYS A 31 43.238 12.091 -33.516 1.00 0.00 N ATOM 457 CA CYS A 31 44.525 12.074 -34.186 1.00 0.00 C ATOM 458 C CYS A 31 44.522 13.037 -35.364 1.00 0.00 C ATOM 459 O CYS A 31 43.932 12.764 -36.409 1.00 0.00 O ATOM 460 CB CYS A 31 44.881 10.664 -34.648 1.00 0.00 C ATOM 461 SG CYS A 31 43.646 9.888 -35.730 1.00 0.00 S ATOM 0 H CYS A 31 42.469 11.705 -34.063 1.00 0.00 H new ATOM 0 HA CYS A 31 45.284 12.398 -33.474 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.835 10.698 -35.174 1.00 0.00 H new ATOM 0 HB3 CYS A 31 45.023 10.033 -33.770 1.00 0.00 H new ATOM 466 N LEU A 32 45.181 14.171 -35.172 1.00 0.00 N ATOM 467 CA LEU A 32 45.258 15.200 -36.201 1.00 0.00 C ATOM 468 C LEU A 32 46.304 14.848 -37.258 1.00 0.00 C ATOM 469 O LEU A 32 46.018 14.107 -38.199 1.00 0.00 O ATOM 470 CB LEU A 32 45.586 16.557 -35.567 1.00 0.00 C ATOM 471 CG LEU A 32 46.429 16.491 -34.290 1.00 0.00 C ATOM 472 CD1 LEU A 32 47.474 17.592 -34.280 1.00 0.00 C ATOM 473 CD2 LEU A 32 45.537 16.581 -33.059 1.00 0.00 C ATOM 0 H LEU A 32 45.673 14.403 -34.309 1.00 0.00 H new ATOM 0 HA LEU A 32 44.287 15.259 -36.692 1.00 0.00 H new ATOM 0 HB2 LEU A 32 46.114 17.165 -36.301 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.651 17.070 -35.341 1.00 0.00 H new ATOM 0 HG LEU A 32 46.948 15.533 -34.268 1.00 0.00 H new ATOM 0 HD11 LEU A 32 48.062 17.527 -33.364 1.00 0.00 H new ATOM 0 HD12 LEU A 32 48.131 17.478 -35.142 1.00 0.00 H new ATOM 0 HD13 LEU A 32 46.980 18.563 -34.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.152 16.533 -32.160 1.00 0.00 H new ATOM 0 HD22 LEU A 32 44.990 17.524 -33.074 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.830 15.751 -33.060 1.00 0.00 H new ATOM 485 N GLY A 33 47.513 15.382 -37.102 1.00 0.00 N ATOM 486 CA GLY A 33 48.569 15.106 -38.059 1.00 0.00 C ATOM 487 C GLY A 33 49.910 14.870 -37.396 1.00 0.00 C ATOM 488 O GLY A 33 50.674 14.001 -37.816 1.00 0.00 O ATOM 0 H GLY A 33 47.779 15.998 -36.334 1.00 0.00 H new ATOM 0 HA2 GLY A 33 48.300 14.229 -38.648 1.00 0.00 H new ATOM 0 HA3 GLY A 33 48.653 15.943 -38.753 1.00 0.00 H new ATOM 492 N ASN A 34 50.198 15.643 -36.357 1.00 0.00 N ATOM 493 CA ASN A 34 51.456 15.513 -35.635 1.00 0.00 C ATOM 494 C ASN A 34 51.457 14.244 -34.787 1.00 0.00 C ATOM 495 O ASN A 34 52.486 13.583 -34.641 1.00 0.00 O ATOM 496 CB ASN A 34 51.701 16.743 -34.755 1.00 0.00 C ATOM 497 CG ASN A 34 51.068 16.619 -33.380 1.00 0.00 C ATOM 498 OD1 ASN A 34 49.966 17.114 -33.144 1.00 0.00 O ATOM 499 ND2 ASN A 34 51.767 15.957 -32.466 1.00 0.00 N ATOM 0 H ASN A 34 49.577 16.367 -35.996 1.00 0.00 H new ATOM 0 HA ASN A 34 52.264 15.443 -36.363 1.00 0.00 H new ATOM 0 HB2 ASN A 34 52.774 16.896 -34.643 1.00 0.00 H new ATOM 0 HB3 ASN A 34 51.303 17.626 -35.255 1.00 0.00 H new ATOM 0 HD21 ASN A 34 51.394 15.842 -31.523 1.00 0.00 H new ATOM 0 HD22 ASN A 34 52.677 15.563 -32.706 1.00 0.00 H new ATOM 506 N GLY A 35 50.296 13.910 -34.237 1.00 0.00 N ATOM 507 CA GLY A 35 50.181 12.721 -33.415 1.00 0.00 C ATOM 508 C GLY A 35 48.747 12.417 -33.026 1.00 0.00 C ATOM 509 O GLY A 35 47.918 12.108 -33.881 1.00 0.00 O ATOM 0 H GLY A 35 49.432 14.441 -34.346 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.595 11.869 -33.955 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.779 12.848 -32.513 1.00 0.00 H new ATOM 513 N VAL A 36 48.456 12.511 -31.733 1.00 0.00 N ATOM 514 CA VAL A 36 47.112 12.249 -31.231 1.00 0.00 C ATOM 515 C VAL A 36 46.803 13.131 -30.023 1.00 0.00 C ATOM 516 O VAL A 36 47.504 13.088 -29.012 1.00 0.00 O ATOM 517 CB VAL A 36 46.928 10.754 -30.858 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.856 10.572 -29.789 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.584 9.941 -32.091 1.00 0.00 C ATOM 0 H VAL A 36 49.133 12.767 -31.014 1.00 0.00 H new ATOM 0 HA VAL A 36 46.412 12.489 -32.031 1.00 0.00 H new ATOM 0 HB VAL A 36 47.872 10.396 -30.448 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.754 9.513 -29.553 1.00 0.00 H new ATOM 0 HG12 VAL A 36 46.142 11.119 -28.890 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.905 10.954 -30.159 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.458 8.895 -31.813 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.657 10.315 -32.527 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.389 10.028 -32.821 1.00 0.00 H new ATOM 529 N SER A 37 45.745 13.928 -30.141 1.00 0.00 N ATOM 530 CA SER A 37 45.332 14.819 -29.064 1.00 0.00 C ATOM 531 C SER A 37 43.995 14.370 -28.483 1.00 0.00 C ATOM 532 O SER A 37 43.011 14.229 -29.208 1.00 0.00 O ATOM 533 CB SER A 37 45.225 16.257 -29.574 1.00 0.00 C ATOM 534 OG SER A 37 44.798 17.132 -28.544 1.00 0.00 O ATOM 0 H SER A 37 45.158 13.974 -30.974 1.00 0.00 H new ATOM 0 HA SER A 37 46.086 14.780 -28.278 1.00 0.00 H new ATOM 0 HB2 SER A 37 46.192 16.584 -29.956 1.00 0.00 H new ATOM 0 HB3 SER A 37 44.523 16.300 -30.407 1.00 0.00 H new ATOM 0 HG SER A 37 44.739 18.045 -28.894 1.00 0.00 H new ATOM 540 N CYS A 38 43.967 14.139 -27.175 1.00 0.00 N ATOM 541 CA CYS A 38 42.749 13.698 -26.510 1.00 0.00 C ATOM 542 C CYS A 38 42.196 14.781 -25.588 1.00 0.00 C ATOM 543 O CYS A 38 42.804 15.839 -25.419 1.00 0.00 O ATOM 544 CB CYS A 38 43.017 12.421 -25.711 1.00 0.00 C ATOM 545 SG CYS A 38 44.026 11.191 -26.597 1.00 0.00 S ATOM 0 H CYS A 38 44.771 14.250 -26.557 1.00 0.00 H new ATOM 0 HA CYS A 38 42.004 13.494 -27.279 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.519 12.686 -24.781 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.064 11.967 -25.441 1.00 0.00 H new ATOM 550 N GLN A 39 41.038 14.507 -24.994 1.00 0.00 N ATOM 551 CA GLN A 39 40.396 15.451 -24.088 1.00 0.00 C ATOM 552 C GLN A 39 39.805 14.727 -22.882 1.00 0.00 C ATOM 553 O GLN A 39 38.820 13.999 -23.004 1.00 0.00 O ATOM 554 CB GLN A 39 39.299 16.228 -24.819 1.00 0.00 C ATOM 555 CG GLN A 39 39.774 17.548 -25.405 1.00 0.00 C ATOM 556 CD GLN A 39 38.826 18.095 -26.455 1.00 0.00 C ATOM 557 OE1 GLN A 39 39.147 18.123 -27.643 1.00 0.00 O ATOM 558 NE2 GLN A 39 37.649 18.531 -26.021 1.00 0.00 N ATOM 0 H GLN A 39 40.525 13.636 -25.125 1.00 0.00 H new ATOM 0 HA GLN A 39 41.153 16.152 -23.736 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.899 15.607 -25.621 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.480 16.422 -24.127 1.00 0.00 H new ATOM 0 HG2 GLN A 39 39.883 18.279 -24.604 1.00 0.00 H new ATOM 0 HG3 GLN A 39 40.761 17.411 -25.848 1.00 0.00 H new ATOM 0 HE21 GLN A 39 37.425 18.489 -25.027 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.969 18.908 -26.682 1.00 0.00 H new ATOM 567 N GLU A 40 40.414 14.931 -21.719 1.00 0.00 N ATOM 568 CA GLU A 40 39.950 14.296 -20.490 1.00 0.00 C ATOM 569 C GLU A 40 38.653 14.932 -20.000 1.00 0.00 C ATOM 570 O GLU A 40 38.590 16.139 -19.775 1.00 0.00 O ATOM 571 CB GLU A 40 41.021 14.397 -19.403 1.00 0.00 C ATOM 572 CG GLU A 40 41.549 15.807 -19.197 1.00 0.00 C ATOM 573 CD GLU A 40 41.983 16.066 -17.767 1.00 0.00 C ATOM 574 OE1 GLU A 40 42.434 15.109 -17.103 1.00 0.00 O ATOM 575 OE2 GLU A 40 41.872 17.223 -17.314 1.00 0.00 O ATOM 0 H GLU A 40 41.230 15.531 -21.601 1.00 0.00 H new ATOM 0 HA GLU A 40 39.758 13.245 -20.707 1.00 0.00 H new ATOM 0 HB2 GLU A 40 40.608 14.032 -18.463 1.00 0.00 H new ATOM 0 HB3 GLU A 40 41.852 13.741 -19.662 1.00 0.00 H new ATOM 0 HG2 GLU A 40 42.394 15.976 -19.865 1.00 0.00 H new ATOM 0 HG3 GLU A 40 40.776 16.524 -19.473 1.00 0.00 H new ATOM 582 N THR A 41 37.625 14.103 -19.830 1.00 0.00 N ATOM 583 CA THR A 41 36.324 14.568 -19.355 1.00 0.00 C ATOM 584 C THR A 41 35.491 15.182 -20.477 1.00 0.00 C ATOM 585 O THR A 41 34.299 14.903 -20.597 1.00 0.00 O ATOM 586 CB THR A 41 36.471 15.602 -18.221 1.00 0.00 C ATOM 587 OG1 THR A 41 37.325 15.085 -17.192 1.00 0.00 O ATOM 588 CG2 THR A 41 35.112 15.949 -17.634 1.00 0.00 C ATOM 0 H THR A 41 37.669 13.101 -20.015 1.00 0.00 H new ATOM 0 HA THR A 41 35.809 13.685 -18.975 1.00 0.00 H new ATOM 0 HB THR A 41 36.914 16.507 -18.636 1.00 0.00 H new ATOM 0 HG1 THR A 41 37.414 15.749 -16.477 1.00 0.00 H new ATOM 0 HG21 THR A 41 35.237 16.680 -16.835 1.00 0.00 H new ATOM 0 HG22 THR A 41 34.475 16.368 -18.413 1.00 0.00 H new ATOM 0 HG23 THR A 41 34.648 15.048 -17.232 1.00 0.00 H new ATOM 596 N ALA A 42 36.118 16.023 -21.291 1.00 0.00 N ATOM 597 CA ALA A 42 35.418 16.675 -22.392 1.00 0.00 C ATOM 598 C ALA A 42 34.352 17.633 -21.868 1.00 0.00 C ATOM 599 O ALA A 42 34.625 18.809 -21.624 1.00 0.00 O ATOM 600 CB ALA A 42 34.789 15.633 -23.306 1.00 0.00 C ATOM 0 H ALA A 42 37.105 16.269 -21.211 1.00 0.00 H new ATOM 0 HA ALA A 42 36.144 17.254 -22.964 1.00 0.00 H new ATOM 0 HB1 ALA A 42 34.269 16.132 -24.124 1.00 0.00 H new ATOM 0 HB2 ALA A 42 35.568 14.987 -23.712 1.00 0.00 H new ATOM 0 HB3 ALA A 42 34.079 15.032 -22.738 1.00 0.00 H new ATOM 606 N VAL A 43 33.137 17.120 -21.693 1.00 0.00 N ATOM 607 CA VAL A 43 32.026 17.924 -21.194 1.00 0.00 C ATOM 608 C VAL A 43 31.996 19.302 -21.848 1.00 0.00 C ATOM 609 O VAL A 43 32.749 19.574 -22.784 1.00 0.00 O ATOM 610 CB VAL A 43 32.101 18.099 -19.666 1.00 0.00 C ATOM 611 CG1 VAL A 43 32.094 16.748 -18.968 1.00 0.00 C ATOM 612 CG2 VAL A 43 33.335 18.898 -19.282 1.00 0.00 C ATOM 0 H VAL A 43 32.897 16.148 -21.890 1.00 0.00 H new ATOM 0 HA VAL A 43 31.113 17.386 -21.450 1.00 0.00 H new ATOM 0 HB VAL A 43 31.220 18.652 -19.340 1.00 0.00 H new ATOM 0 HG11 VAL A 43 32.148 16.895 -17.889 1.00 0.00 H new ATOM 0 HG12 VAL A 43 31.176 16.215 -19.216 1.00 0.00 H new ATOM 0 HG13 VAL A 43 32.953 16.164 -19.297 1.00 0.00 H new ATOM 0 HG21 VAL A 43 33.372 19.012 -18.199 1.00 0.00 H new ATOM 0 HG22 VAL A 43 34.228 18.374 -19.622 1.00 0.00 H new ATOM 0 HG23 VAL A 43 33.291 19.882 -19.749 1.00 0.00 H new ATOM 622 N THR A 44 31.119 20.169 -21.346 1.00 0.00 N ATOM 623 CA THR A 44 30.985 21.521 -21.879 1.00 0.00 C ATOM 624 C THR A 44 30.256 22.433 -20.896 1.00 0.00 C ATOM 625 O THR A 44 29.950 22.033 -19.773 1.00 0.00 O ATOM 626 CB THR A 44 30.227 21.524 -23.219 1.00 0.00 C ATOM 627 OG1 THR A 44 29.154 20.575 -23.179 1.00 0.00 O ATOM 628 CG2 THR A 44 31.166 21.190 -24.369 1.00 0.00 C ATOM 0 H THR A 44 30.491 19.958 -20.571 1.00 0.00 H new ATOM 0 HA THR A 44 31.995 21.897 -22.039 1.00 0.00 H new ATOM 0 HB THR A 44 29.820 22.522 -23.380 1.00 0.00 H new ATOM 0 HG1 THR A 44 28.480 20.815 -23.849 1.00 0.00 H new ATOM 0 HG21 THR A 44 30.610 21.197 -25.307 1.00 0.00 H new ATOM 0 HG22 THR A 44 31.964 21.931 -24.414 1.00 0.00 H new ATOM 0 HG23 THR A 44 31.598 20.202 -24.211 1.00 0.00 H new ATOM 636 N GLN A 45 29.983 23.661 -21.326 1.00 0.00 N ATOM 637 CA GLN A 45 29.292 24.634 -20.485 1.00 0.00 C ATOM 638 C GLN A 45 27.778 24.494 -20.608 1.00 0.00 C ATOM 639 O GLN A 45 27.060 24.512 -19.609 1.00 0.00 O ATOM 640 CB GLN A 45 29.709 26.057 -20.863 1.00 0.00 C ATOM 641 CG GLN A 45 31.172 26.356 -20.584 1.00 0.00 C ATOM 642 CD GLN A 45 31.361 27.578 -19.706 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.890 28.598 -20.147 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.929 27.481 -18.453 1.00 0.00 N ATOM 0 H GLN A 45 30.230 24.007 -22.253 1.00 0.00 H new ATOM 0 HA GLN A 45 29.574 24.438 -19.451 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.510 26.216 -21.923 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.090 26.766 -20.313 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.630 25.492 -20.102 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.694 26.508 -21.529 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.496 26.616 -18.128 1.00 0.00 H new ATOM 0 HE22 GLN A 45 31.030 28.271 -17.816 1.00 0.00 H new ATOM 653 N THR A 46 27.299 24.357 -21.840 1.00 0.00 N ATOM 654 CA THR A 46 25.871 24.219 -22.095 1.00 0.00 C ATOM 655 C THR A 46 25.099 25.417 -21.552 1.00 0.00 C ATOM 656 O THR A 46 25.439 25.963 -20.502 1.00 0.00 O ATOM 657 CB THR A 46 25.304 22.933 -21.464 1.00 0.00 C ATOM 658 OG1 THR A 46 26.131 22.517 -20.371 1.00 0.00 O ATOM 659 CG2 THR A 46 25.222 21.818 -22.495 1.00 0.00 C ATOM 0 H THR A 46 27.880 24.339 -22.678 1.00 0.00 H new ATOM 0 HA THR A 46 25.749 24.167 -23.177 1.00 0.00 H new ATOM 0 HB THR A 46 24.299 23.146 -21.098 1.00 0.00 H new ATOM 0 HG1 THR A 46 26.132 23.211 -19.679 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.819 20.919 -22.028 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.570 22.126 -23.313 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.218 21.609 -22.885 1.00 0.00 H new ATOM 667 N TYR A 47 24.062 25.825 -22.274 1.00 0.00 N ATOM 668 CA TYR A 47 23.248 26.963 -21.864 1.00 0.00 C ATOM 669 C TYR A 47 21.829 26.857 -22.414 1.00 0.00 C ATOM 670 O TYR A 47 21.623 26.439 -23.554 1.00 0.00 O ATOM 671 CB TYR A 47 23.888 28.266 -22.341 1.00 0.00 C ATOM 672 CG TYR A 47 23.964 28.381 -23.847 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.844 28.729 -24.591 1.00 0.00 C ATOM 674 CD2 TYR A 47 25.152 28.137 -24.523 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.906 28.830 -25.968 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.223 28.237 -25.900 1.00 0.00 C ATOM 677 CZ TYR A 47 24.097 28.584 -26.618 1.00 0.00 C ATOM 678 OH TYR A 47 24.163 28.684 -27.989 1.00 0.00 O ATOM 0 H TYR A 47 23.765 25.385 -23.145 1.00 0.00 H new ATOM 0 HA TYR A 47 23.194 26.960 -20.775 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.318 29.108 -21.948 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.893 28.341 -21.927 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.910 28.924 -24.085 1.00 0.00 H new ATOM 0 HD2 TYR A 47 26.035 27.865 -23.964 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.026 29.100 -26.532 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.155 28.045 -26.411 1.00 0.00 H new ATOM 0 HH TYR A 47 25.074 28.480 -28.288 1.00 0.00 H new ATOM 688 N GLY A 48 20.854 27.243 -21.597 1.00 0.00 N ATOM 689 CA GLY A 48 19.465 27.193 -22.015 1.00 0.00 C ATOM 690 C GLY A 48 19.150 25.971 -22.852 1.00 0.00 C ATOM 691 O GLY A 48 19.179 24.845 -22.354 1.00 0.00 O ATOM 0 H GLY A 48 21.002 27.591 -20.650 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.824 27.199 -21.133 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.229 28.091 -22.587 1.00 0.00 H new ATOM 695 N GLY A 49 18.843 26.192 -24.125 1.00 0.00 N ATOM 696 CA GLY A 49 18.521 25.090 -25.010 1.00 0.00 C ATOM 697 C GLY A 49 17.151 24.508 -24.730 1.00 0.00 C ATOM 698 O GLY A 49 16.134 25.173 -24.933 1.00 0.00 O ATOM 0 H GLY A 49 18.812 27.114 -24.559 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.563 25.433 -26.044 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.274 24.309 -24.903 1.00 0.00 H new ATOM 702 N ASN A 50 17.120 23.266 -24.264 1.00 0.00 N ATOM 703 CA ASN A 50 15.862 22.597 -23.957 1.00 0.00 C ATOM 704 C ASN A 50 15.809 22.173 -22.492 1.00 0.00 C ATOM 705 O ASN A 50 14.730 21.979 -21.932 1.00 0.00 O ATOM 706 CB ASN A 50 15.675 21.377 -24.860 1.00 0.00 C ATOM 707 CG ASN A 50 14.422 20.593 -24.518 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.452 19.890 -23.393 1.00 0.00 O flip ATOM 709 ND2 ASN A 50 13.438 20.621 -25.258 1.00 0.00 N flip ATOM 0 H ASN A 50 17.952 22.701 -24.090 1.00 0.00 H new ATOM 0 HA ASN A 50 15.053 23.304 -24.139 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.625 21.702 -25.899 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.544 20.725 -24.771 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.459 21.176 -26.114 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.602 20.090 -25.015 1.00 0.00 H new ATOM 716 N SER A 51 16.979 22.028 -21.875 1.00 0.00 N ATOM 717 CA SER A 51 17.055 21.623 -20.475 1.00 0.00 C ATOM 718 C SER A 51 17.958 22.559 -19.676 1.00 0.00 C ATOM 719 O SER A 51 18.608 22.139 -18.718 1.00 0.00 O ATOM 720 CB SER A 51 17.569 20.186 -20.369 1.00 0.00 C ATOM 721 OG SER A 51 17.059 19.382 -21.418 1.00 0.00 O ATOM 0 H SER A 51 17.883 22.184 -22.320 1.00 0.00 H new ATOM 0 HA SER A 51 16.051 21.679 -20.055 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.659 20.183 -20.402 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.278 19.763 -19.408 1.00 0.00 H new ATOM 0 HG SER A 51 17.538 19.585 -22.248 1.00 0.00 H new ATOM 727 N ASN A 52 17.989 23.828 -20.069 1.00 0.00 N ATOM 728 CA ASN A 52 18.808 24.821 -19.380 1.00 0.00 C ATOM 729 C ASN A 52 20.248 24.339 -19.236 1.00 0.00 C ATOM 730 O ASN A 52 20.931 24.676 -18.268 1.00 0.00 O ATOM 731 CB ASN A 52 18.220 25.125 -18.001 1.00 0.00 C ATOM 732 CG ASN A 52 19.068 26.104 -17.212 1.00 0.00 C ATOM 733 OD1 ASN A 52 19.604 27.065 -17.765 1.00 0.00 O ATOM 734 ND2 ASN A 52 19.192 25.864 -15.913 1.00 0.00 N ATOM 0 H ASN A 52 17.458 24.194 -20.859 1.00 0.00 H new ATOM 0 HA ASN A 52 18.810 25.732 -19.979 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.216 25.532 -18.119 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.123 24.197 -17.438 1.00 0.00 H new ATOM 0 HD21 ASN A 52 19.749 26.488 -15.330 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.730 25.055 -15.497 1.00 0.00 H new ATOM 741 N GLY A 53 20.706 23.552 -20.203 1.00 0.00 N ATOM 742 CA GLY A 53 22.064 23.041 -20.163 1.00 0.00 C ATOM 743 C GLY A 53 22.246 21.959 -19.117 1.00 0.00 C ATOM 744 O GLY A 53 23.231 21.959 -18.378 1.00 0.00 O ATOM 0 H GLY A 53 20.161 23.259 -21.014 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.328 22.643 -21.143 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.752 23.861 -19.956 1.00 0.00 H new ATOM 748 N GLU A 54 21.293 21.035 -19.054 1.00 0.00 N ATOM 749 CA GLU A 54 21.349 19.942 -18.090 1.00 0.00 C ATOM 750 C GLU A 54 22.425 18.932 -18.475 1.00 0.00 C ATOM 751 O GLU A 54 22.956 18.968 -19.586 1.00 0.00 O ATOM 752 CB GLU A 54 19.989 19.246 -18.004 1.00 0.00 C ATOM 753 CG GLU A 54 19.105 19.780 -16.889 1.00 0.00 C ATOM 754 CD GLU A 54 18.958 18.804 -15.738 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.534 17.655 -15.985 1.00 0.00 O ATOM 756 OE2 GLU A 54 19.269 19.186 -14.591 1.00 0.00 O ATOM 0 H GLU A 54 20.472 21.021 -19.659 1.00 0.00 H new ATOM 0 HA GLU A 54 21.601 20.360 -17.115 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.470 19.361 -18.955 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.145 18.178 -17.853 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.523 20.715 -16.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.119 20.011 -17.292 1.00 0.00 H new ATOM 763 N PRO A 55 22.757 18.009 -17.559 1.00 0.00 N ATOM 764 CA PRO A 55 23.770 16.980 -17.807 1.00 0.00 C ATOM 765 C PRO A 55 23.409 16.112 -19.005 1.00 0.00 C ATOM 766 O PRO A 55 22.457 15.334 -18.958 1.00 0.00 O ATOM 767 CB PRO A 55 23.773 16.146 -16.518 1.00 0.00 C ATOM 768 CG PRO A 55 22.493 16.480 -15.829 1.00 0.00 C ATOM 769 CD PRO A 55 22.167 17.893 -16.218 1.00 0.00 C ATOM 0 HA PRO A 55 24.743 17.412 -18.040 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.834 15.080 -16.739 1.00 0.00 H new ATOM 0 HB3 PRO A 55 24.632 16.391 -15.893 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.698 15.799 -16.132 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.597 16.387 -14.748 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.092 18.070 -16.233 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.599 18.613 -15.523 1.00 0.00 H new ATOM 777 N CYS A 56 24.171 16.259 -20.083 1.00 0.00 N ATOM 778 CA CYS A 56 23.923 15.499 -21.301 1.00 0.00 C ATOM 779 C CYS A 56 23.922 13.996 -21.028 1.00 0.00 C ATOM 780 O CYS A 56 24.040 13.560 -19.883 1.00 0.00 O ATOM 781 CB CYS A 56 24.970 15.837 -22.363 1.00 0.00 C ATOM 782 SG CYS A 56 25.353 17.615 -22.496 1.00 0.00 S ATOM 0 H CYS A 56 24.965 16.897 -20.138 1.00 0.00 H new ATOM 0 HA CYS A 56 22.936 15.778 -21.671 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.888 15.295 -22.137 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.618 15.479 -23.331 1.00 0.00 H new ATOM 787 N VAL A 57 23.779 13.213 -22.093 1.00 0.00 N ATOM 788 CA VAL A 57 23.751 11.760 -21.987 1.00 0.00 C ATOM 789 C VAL A 57 24.440 11.113 -23.182 1.00 0.00 C ATOM 790 O VAL A 57 23.845 10.299 -23.886 1.00 0.00 O ATOM 791 CB VAL A 57 22.307 11.233 -21.913 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.597 11.439 -23.242 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.293 9.764 -21.520 1.00 0.00 C ATOM 0 H VAL A 57 23.680 13.565 -23.045 1.00 0.00 H new ATOM 0 HA VAL A 57 24.280 11.499 -21.070 1.00 0.00 H new ATOM 0 HB VAL A 57 21.774 11.796 -21.147 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.577 11.061 -23.172 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.574 12.502 -23.481 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.130 10.902 -24.026 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.263 9.410 -21.473 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.843 9.184 -22.261 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.763 9.644 -20.544 1.00 0.00 H new ATOM 803 N LEU A 58 25.694 11.484 -23.414 1.00 0.00 N ATOM 804 CA LEU A 58 26.447 10.937 -24.535 1.00 0.00 C ATOM 805 C LEU A 58 27.350 9.788 -24.091 1.00 0.00 C ATOM 806 O LEU A 58 27.572 9.581 -22.898 1.00 0.00 O ATOM 807 CB LEU A 58 27.284 12.030 -25.204 1.00 0.00 C ATOM 808 CG LEU A 58 27.380 13.343 -24.427 1.00 0.00 C ATOM 809 CD1 LEU A 58 28.515 14.194 -24.958 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.067 14.107 -24.495 1.00 0.00 C ATOM 0 H LEU A 58 26.207 12.157 -22.845 1.00 0.00 H new ATOM 0 HA LEU A 58 25.728 10.547 -25.256 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.292 11.647 -25.364 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.862 12.238 -26.187 1.00 0.00 H new ATOM 0 HG LEU A 58 27.584 13.106 -23.383 1.00 0.00 H new ATOM 0 HD11 LEU A 58 28.568 15.124 -24.393 1.00 0.00 H new ATOM 0 HD12 LEU A 58 29.455 13.653 -24.854 1.00 0.00 H new ATOM 0 HD13 LEU A 58 28.340 14.418 -26.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 26.158 15.038 -23.935 1.00 0.00 H new ATOM 0 HD22 LEU A 58 25.830 14.331 -25.535 1.00 0.00 H new ATOM 0 HD23 LEU A 58 25.271 13.501 -24.063 1.00 0.00 H new ATOM 822 N PRO A 59 27.880 9.025 -25.060 1.00 0.00 N ATOM 823 CA PRO A 59 27.624 9.261 -26.482 1.00 0.00 C ATOM 824 C PRO A 59 26.177 8.990 -26.861 1.00 0.00 C ATOM 825 O PRO A 59 25.589 7.994 -26.442 1.00 0.00 O ATOM 826 CB PRO A 59 28.539 8.264 -27.199 1.00 0.00 C ATOM 827 CG PRO A 59 29.495 7.776 -26.161 1.00 0.00 C ATOM 828 CD PRO A 59 28.771 7.877 -24.850 1.00 0.00 C ATOM 0 HA PRO A 59 27.813 10.301 -26.748 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.965 7.439 -27.622 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.067 8.741 -28.025 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.797 6.748 -26.361 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.403 8.379 -26.153 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.214 6.968 -24.624 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.458 8.044 -24.020 1.00 0.00 H new ATOM 836 N PHE A 60 25.614 9.879 -27.662 1.00 0.00 N ATOM 837 CA PHE A 60 24.235 9.735 -28.111 1.00 0.00 C ATOM 838 C PHE A 60 24.194 9.424 -29.600 1.00 0.00 C ATOM 839 O PHE A 60 25.234 9.356 -30.256 1.00 0.00 O ATOM 840 CB PHE A 60 23.441 11.009 -27.821 1.00 0.00 C ATOM 841 CG PHE A 60 24.124 12.256 -28.296 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.957 12.704 -29.595 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.935 12.977 -27.440 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.589 13.852 -30.031 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.571 14.126 -27.869 1.00 0.00 C ATOM 846 CZ PHE A 60 25.398 14.563 -29.166 1.00 0.00 C ATOM 0 H PHE A 60 26.089 10.709 -28.016 1.00 0.00 H new ATOM 0 HA PHE A 60 23.781 8.908 -27.565 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.463 10.935 -28.297 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.268 11.084 -26.747 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.326 12.150 -30.274 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.073 12.638 -26.424 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.451 14.193 -31.046 1.00 0.00 H new ATOM 0 HE2 PHE A 60 26.202 14.681 -27.191 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.895 15.460 -29.505 1.00 0.00 H new ATOM 856 N THR A 61 22.994 9.240 -30.132 1.00 0.00 N ATOM 857 CA THR A 61 22.831 8.941 -31.547 1.00 0.00 C ATOM 858 C THR A 61 21.854 9.908 -32.202 1.00 0.00 C ATOM 859 O THR A 61 20.715 10.053 -31.758 1.00 0.00 O ATOM 860 CB THR A 61 22.334 7.499 -31.769 1.00 0.00 C ATOM 861 OG1 THR A 61 22.586 6.708 -30.602 1.00 0.00 O ATOM 862 CG2 THR A 61 23.018 6.870 -32.973 1.00 0.00 C ATOM 0 H THR A 61 22.121 9.292 -29.607 1.00 0.00 H new ATOM 0 HA THR A 61 23.814 9.051 -32.006 1.00 0.00 H new ATOM 0 HB THR A 61 21.261 7.533 -31.958 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.266 5.794 -30.751 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.651 5.853 -33.110 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.798 7.458 -33.864 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.095 6.848 -32.809 1.00 0.00 H new ATOM 870 N TYR A 62 22.308 10.568 -33.260 1.00 0.00 N ATOM 871 CA TYR A 62 21.475 11.521 -33.977 1.00 0.00 C ATOM 872 C TYR A 62 21.749 11.462 -35.475 1.00 0.00 C ATOM 873 O TYR A 62 22.899 11.511 -35.909 1.00 0.00 O ATOM 874 CB TYR A 62 21.719 12.937 -33.458 1.00 0.00 C ATOM 875 CG TYR A 62 20.901 13.984 -34.175 1.00 0.00 C ATOM 876 CD1 TYR A 62 19.546 14.133 -33.912 1.00 0.00 C ATOM 877 CD2 TYR A 62 21.483 14.819 -35.118 1.00 0.00 C ATOM 878 CE1 TYR A 62 18.792 15.085 -34.569 1.00 0.00 C ATOM 879 CE2 TYR A 62 20.736 15.776 -35.780 1.00 0.00 C ATOM 880 CZ TYR A 62 19.391 15.905 -35.501 1.00 0.00 C ATOM 881 OH TYR A 62 18.643 16.853 -36.156 1.00 0.00 O ATOM 0 H TYR A 62 23.249 10.460 -33.639 1.00 0.00 H new ATOM 0 HA TYR A 62 20.432 11.255 -33.805 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.488 12.971 -32.393 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.777 13.178 -33.562 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.074 13.493 -33.181 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.536 14.720 -35.338 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.739 15.187 -34.354 1.00 0.00 H new ATOM 0 HE2 TYR A 62 21.203 16.419 -36.511 1.00 0.00 H new ATOM 0 HH TYR A 62 17.912 17.152 -35.575 1.00 0.00 H new ATOM 891 N ASN A 63 20.683 11.351 -36.258 1.00 0.00 N ATOM 892 CA ASN A 63 20.806 11.279 -37.707 1.00 0.00 C ATOM 893 C ASN A 63 21.393 9.939 -38.141 1.00 0.00 C ATOM 894 O ASN A 63 21.622 9.707 -39.328 1.00 0.00 O ATOM 895 CB ASN A 63 21.679 12.423 -38.222 1.00 0.00 C ATOM 896 CG ASN A 63 21.079 13.106 -39.435 1.00 0.00 C ATOM 897 OD1 ASN A 63 20.510 12.454 -40.310 1.00 0.00 O ATOM 898 ND2 ASN A 63 21.204 14.427 -39.493 1.00 0.00 N ATOM 0 H ASN A 63 19.724 11.309 -35.913 1.00 0.00 H new ATOM 0 HA ASN A 63 19.808 11.371 -38.135 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.819 13.156 -37.428 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.666 12.037 -38.477 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.820 14.941 -40.286 1.00 0.00 H new ATOM 0 HD22 ASN A 63 21.684 14.927 -38.745 1.00 0.00 H new ATOM 905 N GLY A 64 21.632 9.058 -37.173 1.00 0.00 N ATOM 906 CA GLY A 64 22.185 7.752 -37.482 1.00 0.00 C ATOM 907 C GLY A 64 23.606 7.581 -36.982 1.00 0.00 C ATOM 908 O GLY A 64 24.123 6.465 -36.937 1.00 0.00 O ATOM 0 H GLY A 64 21.453 9.225 -36.183 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.554 6.982 -37.039 1.00 0.00 H new ATOM 0 HA3 GLY A 64 22.164 7.600 -38.561 1.00 0.00 H new ATOM 912 N ARG A 65 24.244 8.686 -36.607 1.00 0.00 N ATOM 913 CA ARG A 65 25.616 8.640 -36.111 1.00 0.00 C ATOM 914 C ARG A 65 25.655 8.767 -34.592 1.00 0.00 C ATOM 915 O ARG A 65 24.634 8.628 -33.920 1.00 0.00 O ATOM 916 CB ARG A 65 26.452 9.750 -36.751 1.00 0.00 C ATOM 917 CG ARG A 65 26.062 11.146 -36.295 1.00 0.00 C ATOM 918 CD ARG A 65 26.149 12.145 -37.434 1.00 0.00 C ATOM 919 NE ARG A 65 25.129 11.899 -38.443 1.00 0.00 N ATOM 920 CZ ARG A 65 24.884 12.717 -39.462 1.00 0.00 C ATOM 921 NH1 ARG A 65 25.588 13.831 -39.603 1.00 0.00 N ATOM 922 NH2 ARG A 65 23.936 12.420 -40.340 1.00 0.00 N ATOM 0 H ARG A 65 23.835 9.620 -36.637 1.00 0.00 H new ATOM 0 HA ARG A 65 26.039 7.674 -36.385 1.00 0.00 H new ATOM 0 HB2 ARG A 65 27.503 9.581 -36.518 1.00 0.00 H new ATOM 0 HB3 ARG A 65 26.352 9.690 -37.835 1.00 0.00 H new ATOM 0 HG2 ARG A 65 25.047 11.131 -35.899 1.00 0.00 H new ATOM 0 HG3 ARG A 65 26.716 11.461 -35.482 1.00 0.00 H new ATOM 0 HD2 ARG A 65 26.037 13.156 -37.041 1.00 0.00 H new ATOM 0 HD3 ARG A 65 27.136 12.089 -37.893 1.00 0.00 H new ATOM 0 HE ARG A 65 24.570 11.050 -38.364 1.00 0.00 H new ATOM 0 HH11 ARG A 65 26.318 14.061 -38.929 1.00 0.00 H new ATOM 0 HH12 ARG A 65 25.399 14.458 -40.385 1.00 0.00 H new ATOM 0 HH21 ARG A 65 23.393 11.563 -40.234 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.749 13.049 -41.121 1.00 0.00 H new ATOM 936 N THR A 66 26.843 9.034 -34.057 1.00 0.00 N ATOM 937 CA THR A 66 27.021 9.179 -32.617 1.00 0.00 C ATOM 938 C THR A 66 28.019 10.288 -32.301 1.00 0.00 C ATOM 939 O THR A 66 28.954 10.528 -33.064 1.00 0.00 O ATOM 940 CB THR A 66 27.507 7.864 -31.977 1.00 0.00 C ATOM 941 OG1 THR A 66 26.648 6.785 -32.365 1.00 0.00 O ATOM 942 CG2 THR A 66 27.536 7.978 -30.460 1.00 0.00 C ATOM 0 H THR A 66 27.698 9.154 -34.601 1.00 0.00 H new ATOM 0 HA THR A 66 26.048 9.438 -32.198 1.00 0.00 H new ATOM 0 HB THR A 66 28.520 7.666 -32.328 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.964 5.952 -31.956 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.882 7.038 -30.031 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.213 8.781 -30.168 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.534 8.197 -30.092 1.00 0.00 H new ATOM 950 N PHE A 67 27.810 10.973 -31.178 1.00 0.00 N ATOM 951 CA PHE A 67 28.692 12.065 -30.780 1.00 0.00 C ATOM 952 C PHE A 67 29.023 12.006 -29.289 1.00 0.00 C ATOM 953 O PHE A 67 28.205 11.573 -28.477 1.00 0.00 O ATOM 954 CB PHE A 67 28.039 13.409 -31.110 1.00 0.00 C ATOM 955 CG PHE A 67 27.160 13.369 -32.329 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.031 12.561 -32.369 1.00 0.00 C ATOM 957 CD2 PHE A 67 27.461 14.145 -33.437 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.225 12.529 -33.491 1.00 0.00 C ATOM 959 CE2 PHE A 67 26.657 14.116 -34.560 1.00 0.00 C ATOM 960 CZ PHE A 67 25.539 13.308 -34.587 1.00 0.00 C ATOM 0 H PHE A 67 27.042 10.792 -30.532 1.00 0.00 H new ATOM 0 HA PHE A 67 29.623 11.961 -31.337 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.446 13.735 -30.255 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.819 14.155 -31.259 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.780 11.951 -31.514 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.335 14.780 -33.422 1.00 0.00 H new ATOM 0 HE1 PHE A 67 24.351 11.895 -33.511 1.00 0.00 H new ATOM 0 HE2 PHE A 67 26.904 14.726 -35.417 1.00 0.00 H new ATOM 0 HZ PHE A 67 24.910 13.285 -35.465 1.00 0.00 H new ATOM 970 N TYR A 68 30.228 12.457 -28.939 1.00 0.00 N ATOM 971 CA TYR A 68 30.673 12.471 -27.548 1.00 0.00 C ATOM 972 C TYR A 68 30.695 13.896 -27.001 1.00 0.00 C ATOM 973 O TYR A 68 31.559 14.241 -26.194 1.00 0.00 O ATOM 974 CB TYR A 68 32.078 11.882 -27.413 1.00 0.00 C ATOM 975 CG TYR A 68 32.333 10.633 -28.224 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.468 9.553 -28.163 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.459 10.529 -29.029 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.713 8.402 -28.886 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.717 9.385 -29.753 1.00 0.00 C ATOM 980 CZ TYR A 68 32.840 8.322 -29.681 1.00 0.00 C ATOM 981 OH TYR A 68 33.092 7.177 -30.401 1.00 0.00 O ATOM 0 H TYR A 68 30.914 12.818 -29.602 1.00 0.00 H new ATOM 0 HA TYR A 68 29.967 11.866 -26.980 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.803 12.641 -27.707 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.261 11.657 -26.362 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.588 9.612 -27.540 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.146 11.360 -29.089 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.027 7.569 -28.830 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.599 9.321 -30.372 1.00 0.00 H new ATOM 0 HH TYR A 68 33.923 7.286 -30.908 1.00 0.00 H new ATOM 991 N SER A 69 29.754 14.722 -27.440 1.00 0.00 N ATOM 992 CA SER A 69 29.690 16.110 -26.984 1.00 0.00 C ATOM 993 C SER A 69 28.698 16.920 -27.807 1.00 0.00 C ATOM 994 O SER A 69 27.898 16.368 -28.562 1.00 0.00 O ATOM 995 CB SER A 69 31.073 16.764 -27.062 1.00 0.00 C ATOM 996 OG SER A 69 31.986 15.958 -27.786 1.00 0.00 O ATOM 0 H SER A 69 29.028 14.460 -28.107 1.00 0.00 H new ATOM 0 HA SER A 69 29.352 16.099 -25.948 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.989 17.740 -27.540 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.454 16.934 -26.055 1.00 0.00 H new ATOM 0 HG SER A 69 32.436 15.341 -27.172 1.00 0.00 H new ATOM 1002 N CYS A 70 28.763 18.238 -27.652 1.00 0.00 N ATOM 1003 CA CYS A 70 27.882 19.143 -28.372 1.00 0.00 C ATOM 1004 C CYS A 70 28.255 19.205 -29.849 1.00 0.00 C ATOM 1005 O CYS A 70 29.401 18.951 -30.220 1.00 0.00 O ATOM 1006 CB CYS A 70 27.955 20.537 -27.751 1.00 0.00 C ATOM 1007 SG CYS A 70 28.010 20.532 -25.929 1.00 0.00 S ATOM 0 H CYS A 70 29.423 18.704 -27.029 1.00 0.00 H new ATOM 0 HA CYS A 70 26.862 18.768 -28.296 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.841 21.047 -28.130 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.090 21.115 -28.077 1.00 0.00 H new ATOM 1012 N THR A 71 27.281 19.540 -30.688 1.00 0.00 N ATOM 1013 CA THR A 71 27.511 19.631 -32.124 1.00 0.00 C ATOM 1014 C THR A 71 26.384 20.388 -32.818 1.00 0.00 C ATOM 1015 O THR A 71 25.438 20.841 -32.175 1.00 0.00 O ATOM 1016 CB THR A 71 27.634 18.236 -32.763 1.00 0.00 C ATOM 1017 OG1 THR A 71 28.100 18.354 -34.113 1.00 0.00 O ATOM 1018 CG2 THR A 71 26.291 17.515 -32.747 1.00 0.00 C ATOM 0 H THR A 71 26.326 19.753 -30.399 1.00 0.00 H new ATOM 0 HA THR A 71 28.448 20.172 -32.256 1.00 0.00 H new ATOM 0 HB THR A 71 28.350 17.655 -32.181 1.00 0.00 H new ATOM 0 HG1 THR A 71 28.177 17.462 -34.512 1.00 0.00 H new ATOM 0 HG21 THR A 71 26.401 16.531 -33.203 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.951 17.402 -31.718 1.00 0.00 H new ATOM 0 HG23 THR A 71 25.559 18.096 -33.309 1.00 0.00 H new ATOM 1026 N THR A 72 26.494 20.513 -34.134 1.00 0.00 N ATOM 1027 CA THR A 72 25.485 21.208 -34.923 1.00 0.00 C ATOM 1028 C THR A 72 25.130 20.405 -36.171 1.00 0.00 C ATOM 1029 O THR A 72 25.590 20.712 -37.270 1.00 0.00 O ATOM 1030 CB THR A 72 25.965 22.609 -35.345 1.00 0.00 C ATOM 1031 OG1 THR A 72 27.292 22.534 -35.883 1.00 0.00 O ATOM 1032 CG2 THR A 72 25.944 23.564 -34.161 1.00 0.00 C ATOM 0 H THR A 72 27.273 20.142 -34.678 1.00 0.00 H new ATOM 0 HA THR A 72 24.602 21.315 -34.293 1.00 0.00 H new ATOM 0 HB THR A 72 25.287 22.987 -36.110 1.00 0.00 H new ATOM 0 HG1 THR A 72 27.315 21.872 -36.605 1.00 0.00 H new ATOM 0 HG21 THR A 72 26.287 24.548 -34.481 1.00 0.00 H new ATOM 0 HG22 THR A 72 24.928 23.642 -33.774 1.00 0.00 H new ATOM 0 HG23 THR A 72 26.602 23.187 -33.378 1.00 0.00 H new ATOM 1040 N GLU A 73 24.316 19.368 -35.991 1.00 0.00 N ATOM 1041 CA GLU A 73 23.911 18.514 -37.103 1.00 0.00 C ATOM 1042 C GLU A 73 22.392 18.466 -37.244 1.00 0.00 C ATOM 1043 O GLU A 73 21.868 17.964 -38.238 1.00 0.00 O ATOM 1044 CB GLU A 73 24.462 17.102 -36.905 1.00 0.00 C ATOM 1045 CG GLU A 73 25.973 17.018 -37.036 1.00 0.00 C ATOM 1046 CD GLU A 73 26.451 17.267 -38.453 1.00 0.00 C ATOM 1047 OE1 GLU A 73 26.267 18.398 -38.949 1.00 0.00 O ATOM 1048 OE2 GLU A 73 27.006 16.332 -39.066 1.00 0.00 O ATOM 0 H GLU A 73 23.925 19.100 -35.088 1.00 0.00 H new ATOM 0 HA GLU A 73 24.321 18.938 -38.020 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.170 16.741 -35.919 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.004 16.436 -37.636 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.433 17.747 -36.368 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.308 16.033 -36.712 1.00 0.00 H new ATOM 1055 N GLY A 74 21.688 18.985 -36.245 1.00 0.00 N ATOM 1056 CA GLY A 74 20.238 18.983 -36.285 1.00 0.00 C ATOM 1057 C GLY A 74 19.659 20.341 -36.629 1.00 0.00 C ATOM 1058 O GLY A 74 18.461 20.466 -36.881 1.00 0.00 O ATOM 0 H GLY A 74 22.094 19.406 -35.410 1.00 0.00 H new ATOM 0 HA2 GLY A 74 19.900 18.252 -37.020 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.853 18.663 -35.317 1.00 0.00 H new ATOM 1062 N ARG A 75 20.510 21.362 -36.642 1.00 0.00 N ATOM 1063 CA ARG A 75 20.071 22.717 -36.959 1.00 0.00 C ATOM 1064 C ARG A 75 20.658 23.184 -38.287 1.00 0.00 C ATOM 1065 O ARG A 75 21.580 22.567 -38.821 1.00 0.00 O ATOM 1066 CB ARG A 75 20.474 23.683 -35.844 1.00 0.00 C ATOM 1067 CG ARG A 75 21.921 23.533 -35.404 1.00 0.00 C ATOM 1068 CD ARG A 75 22.027 22.976 -33.993 1.00 0.00 C ATOM 1069 NE ARG A 75 20.923 22.075 -33.664 1.00 0.00 N ATOM 1070 CZ ARG A 75 19.860 22.427 -32.940 1.00 0.00 C ATOM 1071 NH1 ARG A 75 19.727 23.670 -32.494 1.00 0.00 N ATOM 1072 NH2 ARG A 75 18.920 21.531 -32.671 1.00 0.00 N ATOM 0 H ARG A 75 21.506 21.278 -36.437 1.00 0.00 H new ATOM 0 HA ARG A 75 18.984 22.706 -37.046 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.310 24.706 -36.184 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.823 23.525 -34.984 1.00 0.00 H new ATOM 0 HG2 ARG A 75 22.445 22.873 -36.096 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.417 24.502 -35.450 1.00 0.00 H new ATOM 0 HD2 ARG A 75 22.972 22.443 -33.886 1.00 0.00 H new ATOM 0 HD3 ARG A 75 22.044 23.801 -33.280 1.00 0.00 H new ATOM 0 HE ARG A 75 20.969 21.117 -34.010 1.00 0.00 H new ATOM 0 HH11 ARG A 75 20.442 24.367 -32.704 1.00 0.00 H new ATOM 0 HH12 ARG A 75 18.910 23.929 -31.941 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.012 20.576 -33.018 1.00 0.00 H new ATOM 0 HH22 ARG A 75 18.106 21.797 -32.117 1.00 0.00 H new ATOM 1086 N GLN A 76 20.120 24.280 -38.810 1.00 0.00 N ATOM 1087 CA GLN A 76 20.590 24.835 -40.074 1.00 0.00 C ATOM 1088 C GLN A 76 21.342 26.143 -39.849 1.00 0.00 C ATOM 1089 O GLN A 76 21.738 26.814 -40.803 1.00 0.00 O ATOM 1090 CB GLN A 76 19.414 25.066 -41.024 1.00 0.00 C ATOM 1091 CG GLN A 76 18.268 24.089 -40.818 1.00 0.00 C ATOM 1092 CD GLN A 76 17.064 24.412 -41.681 1.00 0.00 C ATOM 1093 OE1 GLN A 76 16.211 25.214 -41.300 1.00 0.00 O ATOM 1094 NE2 GLN A 76 16.990 23.789 -42.850 1.00 0.00 N ATOM 0 H GLN A 76 19.358 24.802 -38.378 1.00 0.00 H new ATOM 0 HA GLN A 76 21.275 24.116 -40.524 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.043 26.082 -40.890 1.00 0.00 H new ATOM 0 HB3 GLN A 76 19.767 24.988 -42.052 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.611 23.079 -41.043 1.00 0.00 H new ATOM 0 HG3 GLN A 76 17.972 24.098 -39.769 1.00 0.00 H new ATOM 0 HE21 GLN A 76 17.720 23.132 -43.125 1.00 0.00 H new ATOM 0 HE22 GLN A 76 16.203 23.967 -43.474 1.00 0.00 H new ATOM 1103 N ASP A 77 21.539 26.500 -38.583 1.00 0.00 N ATOM 1104 CA ASP A 77 22.245 27.726 -38.235 1.00 0.00 C ATOM 1105 C ASP A 77 23.683 27.423 -37.840 1.00 0.00 C ATOM 1106 O ASP A 77 24.617 27.686 -38.598 1.00 0.00 O ATOM 1107 CB ASP A 77 21.530 28.445 -37.090 1.00 0.00 C ATOM 1108 CG ASP A 77 21.462 29.945 -37.302 1.00 0.00 C ATOM 1109 OD1 ASP A 77 20.715 30.383 -38.204 1.00 0.00 O ATOM 1110 OD2 ASP A 77 22.154 30.681 -36.569 1.00 0.00 O ATOM 0 H ASP A 77 21.219 25.956 -37.782 1.00 0.00 H new ATOM 0 HA ASP A 77 22.253 28.375 -39.111 1.00 0.00 H new ATOM 0 HB2 ASP A 77 20.519 28.049 -36.991 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.048 28.236 -36.154 1.00 0.00 H new ATOM 1115 N GLY A 78 23.853 26.863 -36.649 1.00 0.00 N ATOM 1116 CA GLY A 78 25.179 26.527 -36.171 1.00 0.00 C ATOM 1117 C GLY A 78 25.290 26.577 -34.660 1.00 0.00 C ATOM 1118 O GLY A 78 26.322 26.979 -34.121 1.00 0.00 O ATOM 0 H GLY A 78 23.095 26.636 -36.005 1.00 0.00 H new ATOM 0 HA2 GLY A 78 25.442 25.527 -36.517 1.00 0.00 H new ATOM 0 HA3 GLY A 78 25.903 27.216 -36.607 1.00 0.00 H new ATOM 1122 N HIS A 79 24.230 26.164 -33.974 1.00 0.00 N ATOM 1123 CA HIS A 79 24.221 26.160 -32.517 1.00 0.00 C ATOM 1124 C HIS A 79 24.554 24.776 -31.978 1.00 0.00 C ATOM 1125 O HIS A 79 23.867 23.799 -32.279 1.00 0.00 O ATOM 1126 CB HIS A 79 22.857 26.608 -31.991 1.00 0.00 C ATOM 1127 CG HIS A 79 22.118 27.508 -32.932 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.932 27.152 -33.540 1.00 0.00 N ATOM 1129 CD2 HIS A 79 22.402 28.757 -33.369 1.00 0.00 C ATOM 1130 CE1 HIS A 79 20.521 28.143 -34.311 1.00 0.00 C ATOM 1131 NE2 HIS A 79 21.394 29.128 -34.225 1.00 0.00 N ATOM 0 H HIS A 79 23.368 25.828 -34.403 1.00 0.00 H new ATOM 0 HA HIS A 79 24.982 26.860 -32.173 1.00 0.00 H new ATOM 0 HB2 HIS A 79 22.247 25.727 -31.790 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.995 27.124 -31.041 1.00 0.00 H new ATOM 0 HD2 HIS A 79 23.261 29.351 -33.096 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.622 28.146 -34.910 1.00 0.00 H new ATOM 0 HE2 HIS A 79 21.331 30.020 -34.715 1.00 0.00 H new ATOM 1140 N LEU A 80 25.609 24.695 -31.176 1.00 0.00 N ATOM 1141 CA LEU A 80 26.027 23.426 -30.595 1.00 0.00 C ATOM 1142 C LEU A 80 25.010 22.951 -29.565 1.00 0.00 C ATOM 1143 O LEU A 80 24.519 23.737 -28.754 1.00 0.00 O ATOM 1144 CB LEU A 80 27.404 23.564 -29.943 1.00 0.00 C ATOM 1145 CG LEU A 80 28.588 23.242 -30.855 1.00 0.00 C ATOM 1146 CD1 LEU A 80 28.457 23.979 -32.178 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.897 23.600 -30.169 1.00 0.00 C ATOM 0 H LEU A 80 26.189 25.492 -30.914 1.00 0.00 H new ATOM 0 HA LEU A 80 26.089 22.688 -31.395 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.515 24.584 -29.576 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.445 22.907 -29.074 1.00 0.00 H new ATOM 0 HG LEU A 80 28.588 22.171 -31.059 1.00 0.00 H new ATOM 0 HD11 LEU A 80 29.308 23.738 -32.815 1.00 0.00 H new ATOM 0 HD12 LEU A 80 27.535 23.675 -32.674 1.00 0.00 H new ATOM 0 HD13 LEU A 80 28.433 25.053 -31.995 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.731 23.365 -30.831 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.907 24.665 -29.937 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.993 23.027 -29.247 1.00 0.00 H new ATOM 1159 N TRP A 81 24.691 21.664 -29.607 1.00 0.00 N ATOM 1160 CA TRP A 81 23.725 21.088 -28.681 1.00 0.00 C ATOM 1161 C TRP A 81 24.116 19.666 -28.298 1.00 0.00 C ATOM 1162 O TRP A 81 24.847 18.994 -29.025 1.00 0.00 O ATOM 1163 CB TRP A 81 22.334 21.084 -29.313 1.00 0.00 C ATOM 1164 CG TRP A 81 22.294 20.365 -30.625 1.00 0.00 C ATOM 1165 CD1 TRP A 81 22.523 20.902 -31.859 1.00 0.00 C ATOM 1166 CD2 TRP A 81 22.016 18.977 -30.835 1.00 0.00 C ATOM 1167 NE1 TRP A 81 22.401 19.932 -32.823 1.00 0.00 N ATOM 1168 CE2 TRP A 81 22.089 18.742 -32.221 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.710 17.910 -29.986 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.870 17.483 -32.775 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.492 16.661 -30.538 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.573 16.457 -31.921 1.00 0.00 C ATOM 0 H TRP A 81 25.087 21.000 -30.272 1.00 0.00 H new ATOM 0 HA TRP A 81 23.715 21.699 -27.779 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.629 20.616 -28.626 1.00 0.00 H new ATOM 0 HB3 TRP A 81 22.003 22.112 -29.457 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.765 21.937 -32.049 1.00 0.00 H new ATOM 0 HE1 TRP A 81 22.523 20.075 -33.826 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.645 18.058 -28.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.933 17.323 -33.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.255 15.829 -29.892 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.397 15.469 -32.321 1.00 0.00 H new ATOM 1183 N CYS A 82 23.617 19.211 -27.154 1.00 0.00 N ATOM 1184 CA CYS A 82 23.903 17.865 -26.675 1.00 0.00 C ATOM 1185 C CYS A 82 22.615 17.154 -26.281 1.00 0.00 C ATOM 1186 O CYS A 82 21.547 17.763 -26.242 1.00 0.00 O ATOM 1187 CB CYS A 82 24.858 17.912 -25.481 1.00 0.00 C ATOM 1188 SG CYS A 82 24.046 18.294 -23.894 1.00 0.00 S ATOM 0 H CYS A 82 23.011 19.756 -26.541 1.00 0.00 H new ATOM 0 HA CYS A 82 24.378 17.310 -27.484 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.364 16.950 -25.396 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.627 18.661 -25.673 1.00 0.00 H new ATOM 1193 N SER A 83 22.720 15.864 -25.985 1.00 0.00 N ATOM 1194 CA SER A 83 21.559 15.080 -25.588 1.00 0.00 C ATOM 1195 C SER A 83 21.505 14.946 -24.072 1.00 0.00 C ATOM 1196 O SER A 83 22.532 14.761 -23.426 1.00 0.00 O ATOM 1197 CB SER A 83 21.604 13.697 -26.238 1.00 0.00 C ATOM 1198 OG SER A 83 22.678 12.927 -25.726 1.00 0.00 O ATOM 0 H SER A 83 23.595 15.341 -26.012 1.00 0.00 H new ATOM 0 HA SER A 83 20.660 15.596 -25.926 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.663 13.177 -26.060 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.710 13.803 -27.318 1.00 0.00 H new ATOM 0 HG SER A 83 23.491 13.119 -26.238 1.00 0.00 H new ATOM 1204 N THR A 84 20.306 15.044 -23.508 1.00 0.00 N ATOM 1205 CA THR A 84 20.132 14.936 -22.064 1.00 0.00 C ATOM 1206 C THR A 84 19.360 13.673 -21.696 1.00 0.00 C ATOM 1207 O THR A 84 19.262 13.312 -20.523 1.00 0.00 O ATOM 1208 CB THR A 84 19.395 16.161 -21.491 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.019 16.136 -21.887 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.040 17.456 -21.967 1.00 0.00 C ATOM 0 H THR A 84 19.442 15.198 -24.028 1.00 0.00 H new ATOM 0 HA THR A 84 21.130 14.888 -21.629 1.00 0.00 H new ATOM 0 HB THR A 84 19.462 16.119 -20.404 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.503 15.607 -21.244 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.501 18.306 -21.549 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.079 17.487 -21.638 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.002 17.503 -23.055 1.00 0.00 H new ATOM 1218 N THR A 85 18.818 13.001 -22.707 1.00 0.00 N ATOM 1219 CA THR A 85 18.058 11.775 -22.495 1.00 0.00 C ATOM 1220 C THR A 85 18.535 10.672 -23.435 1.00 0.00 C ATOM 1221 O THR A 85 18.592 10.861 -24.650 1.00 0.00 O ATOM 1222 CB THR A 85 16.551 12.006 -22.714 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.062 12.973 -21.777 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.776 10.707 -22.558 1.00 0.00 C ATOM 0 H THR A 85 18.892 13.286 -23.684 1.00 0.00 H new ATOM 0 HA THR A 85 18.223 11.469 -21.462 1.00 0.00 H new ATOM 0 HB THR A 85 16.407 12.378 -23.729 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.104 13.115 -21.924 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.714 10.895 -22.717 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.130 9.982 -23.291 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.928 10.311 -21.554 1.00 0.00 H new ATOM 1232 N SER A 86 18.879 9.520 -22.867 1.00 0.00 N ATOM 1233 CA SER A 86 19.352 8.390 -23.658 1.00 0.00 C ATOM 1234 C SER A 86 18.542 8.256 -24.943 1.00 0.00 C ATOM 1235 O SER A 86 19.043 7.774 -25.958 1.00 0.00 O ATOM 1236 CB SER A 86 19.266 7.098 -22.844 1.00 0.00 C ATOM 1237 OG SER A 86 18.979 5.987 -23.674 1.00 0.00 O ATOM 0 H SER A 86 18.839 9.345 -21.863 1.00 0.00 H new ATOM 0 HA SER A 86 20.394 8.570 -23.923 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.208 6.931 -22.322 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.492 7.196 -22.083 1.00 0.00 H new ATOM 0 HG SER A 86 18.931 5.175 -23.128 1.00 0.00 H new ATOM 1243 N ASN A 87 17.287 8.690 -24.890 1.00 0.00 N ATOM 1244 CA ASN A 87 16.405 8.623 -26.048 1.00 0.00 C ATOM 1245 C ASN A 87 15.930 10.015 -26.450 1.00 0.00 C ATOM 1246 O ASN A 87 14.781 10.384 -26.205 1.00 0.00 O ATOM 1247 CB ASN A 87 15.201 7.733 -25.745 1.00 0.00 C ATOM 1248 CG ASN A 87 14.968 6.690 -26.820 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.292 5.516 -26.642 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.403 7.116 -27.943 1.00 0.00 N ATOM 0 H ASN A 87 16.858 9.092 -24.056 1.00 0.00 H new ATOM 0 HA ASN A 87 16.967 8.195 -26.878 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.352 7.236 -24.787 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.310 8.353 -25.645 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.221 6.460 -28.703 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.151 8.099 -28.046 1.00 0.00 H new ATOM 1257 N TYR A 88 16.818 10.782 -27.070 1.00 0.00 N ATOM 1258 CA TYR A 88 16.486 12.130 -27.508 1.00 0.00 C ATOM 1259 C TYR A 88 15.602 12.084 -28.750 1.00 0.00 C ATOM 1260 O TYR A 88 14.880 13.035 -29.047 1.00 0.00 O ATOM 1261 CB TYR A 88 17.763 12.925 -27.798 1.00 0.00 C ATOM 1262 CG TYR A 88 17.560 14.074 -28.761 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.469 13.847 -30.128 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.454 15.380 -28.303 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.281 14.891 -31.013 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.263 16.430 -29.181 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.178 16.180 -30.535 1.00 0.00 C ATOM 1268 OH TYR A 88 16.989 17.222 -31.413 1.00 0.00 O ATOM 0 H TYR A 88 17.773 10.493 -27.280 1.00 0.00 H new ATOM 0 HA TYR A 88 15.937 12.628 -26.708 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.158 13.315 -26.860 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.516 12.250 -28.205 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.546 12.838 -30.505 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.522 15.579 -27.244 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.215 14.698 -32.074 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.181 17.441 -28.809 1.00 0.00 H new ATOM 0 HH TYR A 88 16.936 18.064 -30.915 1.00 0.00 H new ATOM 1278 N GLU A 89 15.668 10.970 -29.469 1.00 0.00 N ATOM 1279 CA GLU A 89 14.875 10.795 -30.678 1.00 0.00 C ATOM 1280 C GLU A 89 13.392 10.677 -30.343 1.00 0.00 C ATOM 1281 O GLU A 89 12.536 10.794 -31.220 1.00 0.00 O ATOM 1282 CB GLU A 89 15.339 9.554 -31.445 1.00 0.00 C ATOM 1283 CG GLU A 89 16.851 9.437 -31.552 1.00 0.00 C ATOM 1284 CD GLU A 89 17.446 8.570 -30.460 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.876 7.496 -30.177 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.483 8.965 -29.888 1.00 0.00 O ATOM 0 H GLU A 89 16.263 10.175 -29.235 1.00 0.00 H new ATOM 0 HA GLU A 89 15.018 11.674 -31.306 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.948 8.664 -30.951 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.912 9.576 -32.448 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.112 9.020 -32.525 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.293 10.432 -31.503 1.00 0.00 H new ATOM 1293 N GLN A 90 13.093 10.443 -29.068 1.00 0.00 N ATOM 1294 CA GLN A 90 11.711 10.311 -28.621 1.00 0.00 C ATOM 1295 C GLN A 90 11.347 11.414 -27.631 1.00 0.00 C ATOM 1296 O GLN A 90 10.247 11.963 -27.676 1.00 0.00 O ATOM 1297 CB GLN A 90 11.487 8.932 -27.991 1.00 0.00 C ATOM 1298 CG GLN A 90 11.714 8.898 -26.490 1.00 0.00 C ATOM 1299 CD GLN A 90 11.411 7.540 -25.885 1.00 0.00 C ATOM 1300 OE1 GLN A 90 11.520 6.512 -26.555 1.00 0.00 O ATOM 1301 NE2 GLN A 90 11.026 7.529 -24.615 1.00 0.00 N ATOM 0 H GLN A 90 13.788 10.341 -28.328 1.00 0.00 H new ATOM 0 HA GLN A 90 11.061 10.411 -29.490 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.468 8.608 -28.202 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.155 8.213 -28.466 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.749 9.164 -26.277 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.087 9.652 -26.014 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.949 8.405 -24.098 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.807 6.645 -24.156 1.00 0.00 H new ATOM 1310 N ASP A 91 12.279 11.734 -26.740 1.00 0.00 N ATOM 1311 CA ASP A 91 12.055 12.775 -25.741 1.00 0.00 C ATOM 1312 C ASP A 91 12.364 14.153 -26.315 1.00 0.00 C ATOM 1313 O ASP A 91 11.683 15.132 -26.007 1.00 0.00 O ATOM 1314 CB ASP A 91 12.920 12.520 -24.505 1.00 0.00 C ATOM 1315 CG ASP A 91 12.292 11.520 -23.555 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.604 10.595 -24.037 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.488 11.659 -22.330 1.00 0.00 O ATOM 0 H ASP A 91 13.195 11.289 -26.688 1.00 0.00 H new ATOM 0 HA ASP A 91 11.004 12.747 -25.453 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.898 12.154 -24.819 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.085 13.461 -23.980 1.00 0.00 H new ATOM 1322 N GLN A 92 13.395 14.221 -27.152 1.00 0.00 N ATOM 1323 CA GLN A 92 13.803 15.475 -27.776 1.00 0.00 C ATOM 1324 C GLN A 92 14.417 16.424 -26.752 1.00 0.00 C ATOM 1325 O GLN A 92 14.475 17.634 -26.970 1.00 0.00 O ATOM 1326 CB GLN A 92 12.611 16.145 -28.463 1.00 0.00 C ATOM 1327 CG GLN A 92 12.037 15.337 -29.616 1.00 0.00 C ATOM 1328 CD GLN A 92 12.865 15.457 -30.880 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.922 16.090 -30.886 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.388 14.851 -31.961 1.00 0.00 N ATOM 0 H GLN A 92 13.966 13.417 -27.415 1.00 0.00 H new ATOM 0 HA GLN A 92 14.560 15.244 -28.526 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.827 16.316 -27.725 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.919 17.123 -28.834 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.975 14.288 -29.325 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.020 15.672 -29.819 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.508 14.337 -31.911 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.901 14.899 -32.841 1.00 0.00 H new ATOM 1339 N LYS A 93 14.879 15.868 -25.637 1.00 0.00 N ATOM 1340 CA LYS A 93 15.495 16.668 -24.585 1.00 0.00 C ATOM 1341 C LYS A 93 16.976 16.877 -24.871 1.00 0.00 C ATOM 1342 O LYS A 93 17.764 15.931 -24.846 1.00 0.00 O ATOM 1343 CB LYS A 93 15.309 15.994 -23.224 1.00 0.00 C ATOM 1344 CG LYS A 93 13.927 16.205 -22.627 1.00 0.00 C ATOM 1345 CD LYS A 93 12.864 16.315 -23.709 1.00 0.00 C ATOM 1346 CE LYS A 93 11.463 16.286 -23.119 1.00 0.00 C ATOM 1347 NZ LYS A 93 10.606 15.260 -23.774 1.00 0.00 N ATOM 0 H LYS A 93 14.839 14.868 -25.439 1.00 0.00 H new ATOM 0 HA LYS A 93 15.005 17.642 -24.562 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.491 14.925 -23.329 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.058 16.379 -22.532 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.686 15.376 -21.962 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.926 17.111 -22.021 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.006 17.241 -24.267 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.978 15.495 -24.418 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.523 16.080 -22.050 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.002 17.268 -23.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.607 15.538 -23.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.862 15.184 -24.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.749 14.340 -23.310 1.00 0.00 H new ATOM 1361 N TYR A 94 17.345 18.119 -25.157 1.00 0.00 N ATOM 1362 CA TYR A 94 18.733 18.449 -25.463 1.00 0.00 C ATOM 1363 C TYR A 94 19.196 19.686 -24.704 1.00 0.00 C ATOM 1364 O TYR A 94 18.489 20.206 -23.840 1.00 0.00 O ATOM 1365 CB TYR A 94 18.895 18.683 -26.966 1.00 0.00 C ATOM 1366 CG TYR A 94 18.250 19.962 -27.453 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.936 21.170 -27.411 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.955 19.961 -27.955 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.349 22.341 -27.856 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.362 21.126 -28.403 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.062 22.313 -28.351 1.00 0.00 C ATOM 1372 OH TYR A 94 16.475 23.475 -28.795 1.00 0.00 O ATOM 0 H TYR A 94 16.705 18.913 -25.184 1.00 0.00 H new ATOM 0 HA TYR A 94 19.350 17.607 -25.150 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.957 18.706 -27.209 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.463 17.840 -27.505 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.944 21.195 -27.025 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.402 19.034 -27.996 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.895 23.272 -27.816 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.355 21.107 -28.792 1.00 0.00 H new ATOM 0 HH TYR A 94 15.568 23.283 -29.113 1.00 0.00 H new ATOM 1382 N SER A 95 20.394 20.151 -25.043 1.00 0.00 N ATOM 1383 CA SER A 95 20.976 21.330 -24.415 1.00 0.00 C ATOM 1384 C SER A 95 22.016 21.957 -25.338 1.00 0.00 C ATOM 1385 O SER A 95 22.831 21.254 -25.934 1.00 0.00 O ATOM 1386 CB SER A 95 21.615 20.960 -23.076 1.00 0.00 C ATOM 1387 OG SER A 95 21.400 19.595 -22.766 1.00 0.00 O ATOM 0 H SER A 95 20.985 19.724 -25.756 1.00 0.00 H new ATOM 0 HA SER A 95 20.183 22.055 -24.233 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.685 21.163 -23.112 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.198 21.585 -22.286 1.00 0.00 H new ATOM 0 HG SER A 95 22.159 19.063 -23.086 1.00 0.00 H new ATOM 1393 N PHE A 96 21.977 23.277 -25.461 1.00 0.00 N ATOM 1394 CA PHE A 96 22.913 23.989 -26.325 1.00 0.00 C ATOM 1395 C PHE A 96 24.331 23.943 -25.769 1.00 0.00 C ATOM 1396 O PHE A 96 24.580 23.347 -24.720 1.00 0.00 O ATOM 1397 CB PHE A 96 22.468 25.438 -26.511 1.00 0.00 C ATOM 1398 CG PHE A 96 21.367 25.591 -27.518 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.414 24.907 -28.722 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.283 26.413 -27.259 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.400 25.041 -29.651 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.266 26.552 -28.184 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.324 25.864 -29.381 1.00 0.00 C ATOM 0 H PHE A 96 21.310 23.876 -24.975 1.00 0.00 H new ATOM 0 HA PHE A 96 22.916 23.489 -27.294 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.133 25.835 -25.553 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.323 26.037 -26.823 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.253 24.262 -28.937 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.232 26.951 -26.324 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.449 24.503 -30.586 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.427 27.198 -27.972 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.529 25.970 -30.104 1.00 0.00 H new ATOM 1413 N CYS A 97 25.258 24.572 -26.483 1.00 0.00 N ATOM 1414 CA CYS A 97 26.655 24.604 -26.068 1.00 0.00 C ATOM 1415 C CYS A 97 27.326 25.902 -26.505 1.00 0.00 C ATOM 1416 O CYS A 97 26.991 26.467 -27.545 1.00 0.00 O ATOM 1417 CB CYS A 97 27.406 23.409 -26.659 1.00 0.00 C ATOM 1418 SG CYS A 97 28.385 22.467 -25.447 1.00 0.00 S ATOM 0 H CYS A 97 25.066 25.067 -27.354 1.00 0.00 H new ATOM 0 HA CYS A 97 26.686 24.549 -24.980 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.686 22.738 -27.128 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.070 23.765 -27.447 1.00 0.00 H new ATOM 1423 N THR A 98 28.279 26.368 -25.704 1.00 0.00 N ATOM 1424 CA THR A 98 29.000 27.596 -26.007 1.00 0.00 C ATOM 1425 C THR A 98 29.816 27.454 -27.287 1.00 0.00 C ATOM 1426 O THR A 98 30.367 26.389 -27.570 1.00 0.00 O ATOM 1427 CB THR A 98 29.940 27.987 -24.852 1.00 0.00 C ATOM 1428 OG1 THR A 98 30.423 26.810 -24.193 1.00 0.00 O ATOM 1429 CG2 THR A 98 29.223 28.877 -23.849 1.00 0.00 C ATOM 0 H THR A 98 28.569 25.912 -24.839 1.00 0.00 H new ATOM 0 HA THR A 98 28.254 28.379 -26.143 1.00 0.00 H new ATOM 0 HB THR A 98 30.781 28.540 -25.269 1.00 0.00 H new ATOM 0 HG1 THR A 98 31.139 27.054 -23.570 1.00 0.00 H new ATOM 0 HG21 THR A 98 29.907 29.140 -23.042 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.882 29.785 -24.347 1.00 0.00 H new ATOM 0 HG23 THR A 98 28.365 28.345 -23.438 1.00 0.00 H new ATOM 1437 N ASP A 99 29.889 28.534 -28.057 1.00 0.00 N ATOM 1438 CA ASP A 99 30.639 28.533 -29.309 1.00 0.00 C ATOM 1439 C ASP A 99 31.907 27.695 -29.183 1.00 0.00 C ATOM 1440 O ASP A 99 32.162 26.809 -30.000 1.00 0.00 O ATOM 1441 CB ASP A 99 31.000 29.964 -29.711 1.00 0.00 C ATOM 1442 CG ASP A 99 29.839 30.923 -29.540 1.00 0.00 C ATOM 1443 OD1 ASP A 99 28.698 30.449 -29.361 1.00 0.00 O ATOM 1444 OD2 ASP A 99 30.071 32.150 -29.584 1.00 0.00 O ATOM 0 H ASP A 99 29.438 29.422 -27.837 1.00 0.00 H new ATOM 0 HA ASP A 99 30.008 28.092 -30.081 1.00 0.00 H new ATOM 0 HB2 ASP A 99 31.842 30.306 -29.109 1.00 0.00 H new ATOM 0 HB3 ASP A 99 31.326 29.975 -30.751 1.00 0.00 H new ATOM 1449 N HIS A 100 32.701 27.983 -28.158 1.00 0.00 N ATOM 1450 CA HIS A 100 33.944 27.259 -27.926 1.00 0.00 C ATOM 1451 C HIS A 100 34.834 27.300 -29.164 1.00 0.00 C ATOM 1452 O HIS A 100 35.752 28.115 -29.254 1.00 0.00 O ATOM 1453 CB HIS A 100 33.651 25.807 -27.540 1.00 0.00 C ATOM 1454 CG HIS A 100 34.158 25.435 -26.182 1.00 0.00 C ATOM 1455 ND1 HIS A 100 34.231 26.328 -25.134 1.00 0.00 N ATOM 1456 CD2 HIS A 100 34.619 24.256 -25.700 1.00 0.00 C ATOM 1457 CE1 HIS A 100 34.715 25.716 -24.068 1.00 0.00 C ATOM 1458 NE2 HIS A 100 34.959 24.458 -24.385 1.00 0.00 N ATOM 0 H HIS A 100 32.505 28.714 -27.474 1.00 0.00 H new ATOM 0 HA HIS A 100 34.471 27.745 -27.105 1.00 0.00 H new ATOM 0 HB2 HIS A 100 32.574 25.641 -27.575 1.00 0.00 H new ATOM 0 HB3 HIS A 100 34.100 25.145 -28.280 1.00 0.00 H new ATOM 0 HD2 HIS A 100 34.703 23.329 -26.248 1.00 0.00 H new ATOM 0 HE1 HIS A 100 34.883 26.168 -23.102 1.00 0.00 H new ATOM 0 HE2 HIS A 100 35.338 23.751 -23.755 1.00 0.00 H new ATOM 1467 N THR A 101 34.556 26.415 -30.114 1.00 0.00 N ATOM 1468 CA THR A 101 35.331 26.349 -31.347 1.00 0.00 C ATOM 1469 C THR A 101 34.432 26.484 -32.571 1.00 0.00 C ATOM 1470 O THR A 101 33.282 25.999 -32.516 1.00 0.00 O ATOM 1471 CB THR A 101 36.116 25.028 -31.445 1.00 0.00 C ATOM 1472 OG1 THR A 101 36.419 24.736 -32.815 1.00 0.00 O ATOM 1473 CG2 THR A 101 35.318 23.883 -30.840 1.00 0.00 C ATOM 1474 OXT THR A 101 34.884 27.073 -33.575 1.00 0.00 O ATOM 0 H THR A 101 33.800 25.733 -30.054 1.00 0.00 H new ATOM 0 HA THR A 101 36.034 27.182 -31.323 1.00 0.00 H new ATOM 0 HB THR A 101 37.045 25.139 -30.887 1.00 0.00 H new ATOM 0 HG1 THR A 101 36.919 23.895 -32.867 1.00 0.00 H new ATOM 0 HG21 THR A 101 35.890 22.959 -30.919 1.00 0.00 H new ATOM 0 HG22 THR A 101 35.116 24.095 -29.790 1.00 0.00 H new ATOM 0 HG23 THR A 101 34.375 23.773 -31.376 1.00 0.00 H new TER 1482 THR A 101