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 85 THR OG1 : rot -120:sc= -3.44! USER MOD Set 1.2: A 93 LYS NZ :NH3+ -129:sc= 1.46! (180deg=-0.145) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -108:sc= 0.191 (180deg=0) USER MOD Set 2.2: A 22 GLN : amide:sc= -0.21 K(o=-0.019,f=-0.82) USER MOD Set 3.1: A 3 HIS :FLIP no HE2:sc= -0.0303 F(o=-1.9,f=0.092) USER MOD Set 3.2: A 13 SER OG : rot 6:sc= 0.123 USER MOD Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 64:sc= 0.0353 USER MOD Single : A 8 SER OG : rot 61:sc= 1.13 USER MOD Single : A 12 TYR OH : rot -135:sc= 0.411 USER MOD Single : A 16 MET CE :methyl -132:sc= 0 (180deg=-0.129) USER MOD Single : A 17 GLN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 34 ASN : amide:sc= -5.63! C(o=-5.6!,f=-16!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00658 USER MOD Single : A 44 THR OG1 : rot 61:sc= 0.568 USER MOD Single : A 45 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.031) USER MOD Single : A 46 THR OG1 : rot -156:sc= -1.96! USER MOD Single : A 47 TYR OH : rot -150:sc= -0.42 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 150:sc= 0 USER MOD Single : A 52 ASN : amide:sc=-0.00968 X(o=-0.0097,f=-0.097) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.326 K(o=-0.33,f=-2.8!) 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 -81:sc= -0.319! USER MOD Single : A 71 THR OG1 : rot 161:sc= -0.144 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-4.4!) USER MOD Single : A 83 SER OG : rot -176:sc= -1.9 USER MOD Single : A 84 THR OG1 : rot -60:sc= -6.99! USER MOD Single : A 86 SER OG : rot 180:sc= -0.213 USER MOD Single : A 87 ASN : amide:sc= -0.438 K(o=-0.44,f=-3.1!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.1) USER MOD Single : A 92 GLN :FLIP amide:sc= -3.74! C(o=-4.3!,f=-3.7!) USER MOD Single : A 94 TYR OH : rot 3:sc= 0.276 USER MOD Single : A 95 SER OG : rot 150:sc= -2.6! USER MOD Single : A 98 THR OG1 : rot 134:sc= -0.151 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot -48:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 48.780 0.746 -43.730 1.00 0.00 N ATOM 2 CA TYR A 1 49.722 1.889 -43.611 1.00 0.00 C ATOM 3 C TYR A 1 48.978 3.185 -43.303 1.00 0.00 C ATOM 4 O TYR A 1 48.201 3.676 -44.122 1.00 0.00 O ATOM 5 CB TYR A 1 50.498 2.020 -44.924 1.00 0.00 C ATOM 6 CG TYR A 1 51.045 3.408 -45.175 1.00 0.00 C ATOM 7 CD1 TYR A 1 51.955 3.985 -44.298 1.00 0.00 C ATOM 8 CD2 TYR A 1 50.651 4.141 -46.287 1.00 0.00 C ATOM 9 CE1 TYR A 1 52.458 5.254 -44.523 1.00 0.00 C ATOM 10 CE2 TYR A 1 51.148 5.409 -46.520 1.00 0.00 C ATOM 11 CZ TYR A 1 52.051 5.961 -45.635 1.00 0.00 C ATOM 12 OH TYR A 1 52.547 7.224 -45.863 1.00 0.00 O ATOM 0 H1 TYR A 1 49.313 -0.122 -43.940 1.00 0.00 H new ATOM 0 H2 TYR A 1 48.263 0.628 -42.835 1.00 0.00 H new ATOM 0 H3 TYR A 1 48.104 0.932 -44.498 1.00 0.00 H new ATOM 0 HA TYR A 1 50.410 1.703 -42.787 1.00 0.00 H new ATOM 0 HB2 TYR A 1 51.325 1.309 -44.919 1.00 0.00 H new ATOM 0 HB3 TYR A 1 49.844 1.742 -45.751 1.00 0.00 H new ATOM 0 HD1 TYR A 1 52.275 3.434 -43.426 1.00 0.00 H new ATOM 0 HD2 TYR A 1 49.944 3.712 -46.982 1.00 0.00 H new ATOM 0 HE1 TYR A 1 53.165 5.688 -43.832 1.00 0.00 H new ATOM 0 HE2 TYR A 1 50.831 5.965 -47.390 1.00 0.00 H new ATOM 0 HH TYR A 1 52.160 7.583 -46.689 1.00 0.00 H new ATOM 24 N GLY A 2 49.222 3.735 -42.117 1.00 0.00 N ATOM 25 CA GLY A 2 48.568 4.969 -41.723 1.00 0.00 C ATOM 26 C GLY A 2 47.349 4.732 -40.855 1.00 0.00 C ATOM 27 O GLY A 2 46.316 5.380 -41.030 1.00 0.00 O ATOM 0 H GLY A 2 49.861 3.348 -41.422 1.00 0.00 H new ATOM 0 HA2 GLY A 2 49.278 5.595 -41.183 1.00 0.00 H new ATOM 0 HA3 GLY A 2 48.272 5.520 -42.616 1.00 0.00 H new ATOM 31 N HIS A 3 47.466 3.800 -39.914 1.00 0.00 N ATOM 32 CA HIS A 3 46.366 3.478 -39.016 1.00 0.00 C ATOM 33 C HIS A 3 46.681 3.923 -37.591 1.00 0.00 C ATOM 34 O HIS A 3 47.840 3.924 -37.172 1.00 0.00 O ATOM 35 CB HIS A 3 46.088 1.977 -39.048 1.00 0.00 C ATOM 36 CG HIS A 3 45.133 1.568 -40.127 1.00 0.00 C ATOM 37 ND1 HIS A 3 43.820 1.243 -40.072 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 45.498 1.456 -41.452 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 43.421 0.945 -41.352 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 44.451 1.081 -42.166 1.00 0.00 N flip ATOM 0 H HIS A 3 48.313 3.255 -39.755 1.00 0.00 H new ATOM 0 HA HIS A 3 45.478 4.013 -39.353 1.00 0.00 H new ATOM 0 HB2 HIS A 3 47.029 1.444 -39.186 1.00 0.00 H new ATOM 0 HB3 HIS A 3 45.686 1.670 -38.083 1.00 0.00 H new ATOM 0 HD1 HIS A 3 43.236 1.223 -39.236 1.00 0.00 H new ATOM 0 HD2 HIS A 3 46.486 1.645 -41.845 1.00 0.00 H new ATOM 0 HE1 HIS A 3 42.425 0.647 -41.645 1.00 0.00 H new ATOM 49 N CYS A 4 45.645 4.301 -36.851 1.00 0.00 N ATOM 50 CA CYS A 4 45.812 4.748 -35.471 1.00 0.00 C ATOM 51 C CYS A 4 45.231 3.730 -34.496 1.00 0.00 C ATOM 52 O CYS A 4 44.117 3.247 -34.681 1.00 0.00 O ATOM 53 CB CYS A 4 45.137 6.106 -35.267 1.00 0.00 C ATOM 54 SG CYS A 4 43.748 6.419 -36.408 1.00 0.00 S ATOM 0 H CYS A 4 44.680 4.307 -37.182 1.00 0.00 H new ATOM 0 HA CYS A 4 46.880 4.846 -35.275 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.773 6.170 -34.241 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.881 6.893 -35.391 1.00 0.00 H new ATOM 59 N VAL A 5 45.992 3.403 -33.457 1.00 0.00 N ATOM 60 CA VAL A 5 45.541 2.439 -32.463 1.00 0.00 C ATOM 61 C VAL A 5 45.795 2.943 -31.047 1.00 0.00 C ATOM 62 O VAL A 5 46.849 3.511 -30.758 1.00 0.00 O ATOM 63 CB VAL A 5 46.236 1.076 -32.646 1.00 0.00 C ATOM 64 CG1 VAL A 5 46.250 0.678 -34.115 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.649 1.112 -32.081 1.00 0.00 C ATOM 0 H VAL A 5 46.920 3.790 -33.283 1.00 0.00 H new ATOM 0 HA VAL A 5 44.468 2.314 -32.611 1.00 0.00 H new ATOM 0 HB VAL A 5 45.671 0.325 -32.094 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.745 -0.287 -34.226 1.00 0.00 H new ATOM 0 HG12 VAL A 5 45.226 0.605 -34.482 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.789 1.430 -34.691 1.00 0.00 H new ATOM 0 HG21 VAL A 5 48.122 0.140 -32.221 1.00 0.00 H new ATOM 0 HG22 VAL A 5 48.229 1.875 -32.600 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.610 1.347 -31.017 1.00 0.00 H new ATOM 75 N THR A 6 44.825 2.728 -30.165 1.00 0.00 N ATOM 76 CA THR A 6 44.944 3.157 -28.778 1.00 0.00 C ATOM 77 C THR A 6 46.012 2.351 -28.050 1.00 0.00 C ATOM 78 O THR A 6 45.729 1.679 -27.057 1.00 0.00 O ATOM 79 CB THR A 6 43.607 3.014 -28.028 1.00 0.00 C ATOM 80 OG1 THR A 6 43.066 1.704 -28.233 1.00 0.00 O ATOM 81 CG2 THR A 6 42.608 4.060 -28.501 1.00 0.00 C ATOM 0 H THR A 6 43.947 2.259 -30.387 1.00 0.00 H new ATOM 0 HA THR A 6 45.230 4.209 -28.793 1.00 0.00 H new ATOM 0 HB THR A 6 43.794 3.166 -26.965 1.00 0.00 H new ATOM 0 HG1 THR A 6 43.670 1.036 -27.846 1.00 0.00 H new ATOM 0 HG21 THR A 6 41.671 3.940 -27.958 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.010 5.056 -28.316 1.00 0.00 H new ATOM 0 HG23 THR A 6 42.427 3.934 -29.568 1.00 0.00 H new ATOM 89 N ASP A 7 47.242 2.421 -28.550 1.00 0.00 N ATOM 90 CA ASP A 7 48.355 1.696 -27.948 1.00 0.00 C ATOM 91 C ASP A 7 48.312 0.220 -28.325 1.00 0.00 C ATOM 92 O ASP A 7 49.287 -0.333 -28.833 1.00 0.00 O ATOM 93 CB ASP A 7 48.328 1.848 -26.427 1.00 0.00 C ATOM 94 CG ASP A 7 49.570 2.537 -25.894 1.00 0.00 C ATOM 95 OD1 ASP A 7 49.907 3.627 -26.401 1.00 0.00 O ATOM 96 OD2 ASP A 7 50.205 1.985 -24.971 1.00 0.00 O ATOM 0 H ASP A 7 47.493 2.973 -29.371 1.00 0.00 H new ATOM 0 HA ASP A 7 49.282 2.122 -28.332 1.00 0.00 H new ATOM 0 HB2 ASP A 7 47.446 2.419 -26.137 1.00 0.00 H new ATOM 0 HB3 ASP A 7 48.236 0.864 -25.968 1.00 0.00 H new ATOM 101 N SER A 8 47.173 -0.412 -28.070 1.00 0.00 N ATOM 102 CA SER A 8 46.994 -1.826 -28.378 1.00 0.00 C ATOM 103 C SER A 8 45.621 -2.311 -27.923 1.00 0.00 C ATOM 104 O SER A 8 45.515 -3.138 -27.016 1.00 0.00 O ATOM 105 CB SER A 8 48.089 -2.658 -27.709 1.00 0.00 C ATOM 106 OG SER A 8 47.912 -2.699 -26.303 1.00 0.00 O ATOM 0 H SER A 8 46.357 0.033 -27.650 1.00 0.00 H new ATOM 0 HA SER A 8 47.064 -1.949 -29.459 1.00 0.00 H new ATOM 0 HB2 SER A 8 48.076 -3.672 -28.110 1.00 0.00 H new ATOM 0 HB3 SER A 8 49.066 -2.235 -27.943 1.00 0.00 H new ATOM 0 HG SER A 8 47.051 -3.117 -26.094 1.00 0.00 H new ATOM 112 N GLY A 9 44.572 -1.794 -28.555 1.00 0.00 N ATOM 113 CA GLY A 9 43.224 -2.191 -28.195 1.00 0.00 C ATOM 114 C GLY A 9 42.238 -2.028 -29.335 1.00 0.00 C ATOM 115 O GLY A 9 41.329 -2.843 -29.498 1.00 0.00 O ATOM 0 H GLY A 9 44.631 -1.109 -29.308 1.00 0.00 H new ATOM 0 HA2 GLY A 9 43.231 -3.232 -27.873 1.00 0.00 H new ATOM 0 HA3 GLY A 9 42.890 -1.597 -27.344 1.00 0.00 H new ATOM 119 N VAL A 10 42.412 -0.973 -30.121 1.00 0.00 N ATOM 120 CA VAL A 10 41.524 -0.708 -31.247 1.00 0.00 C ATOM 121 C VAL A 10 42.310 -0.357 -32.505 1.00 0.00 C ATOM 122 O VAL A 10 43.494 -0.030 -32.439 1.00 0.00 O ATOM 123 CB VAL A 10 40.546 0.440 -30.930 1.00 0.00 C ATOM 124 CG1 VAL A 10 39.587 0.663 -32.088 1.00 0.00 C ATOM 125 CG2 VAL A 10 39.785 0.149 -29.645 1.00 0.00 C ATOM 0 H VAL A 10 43.158 -0.288 -30.000 1.00 0.00 H new ATOM 0 HA VAL A 10 40.959 -1.623 -31.423 1.00 0.00 H new ATOM 0 HB VAL A 10 41.121 1.355 -30.787 1.00 0.00 H new ATOM 0 HG11 VAL A 10 38.905 1.478 -31.844 1.00 0.00 H new ATOM 0 HG12 VAL A 10 40.152 0.919 -32.984 1.00 0.00 H new ATOM 0 HG13 VAL A 10 39.015 -0.247 -32.267 1.00 0.00 H new ATOM 0 HG21 VAL A 10 39.098 0.969 -29.435 1.00 0.00 H new ATOM 0 HG22 VAL A 10 39.221 -0.777 -29.758 1.00 0.00 H new ATOM 0 HG23 VAL A 10 40.490 0.046 -28.820 1.00 0.00 H new ATOM 135 N VAL A 11 41.641 -0.427 -33.653 1.00 0.00 N ATOM 136 CA VAL A 11 42.274 -0.118 -34.929 1.00 0.00 C ATOM 137 C VAL A 11 41.551 1.021 -35.639 1.00 0.00 C ATOM 138 O VAL A 11 40.427 0.860 -36.114 1.00 0.00 O ATOM 139 CB VAL A 11 42.307 -1.349 -35.852 1.00 0.00 C ATOM 140 CG1 VAL A 11 42.942 -0.998 -37.189 1.00 0.00 C ATOM 141 CG2 VAL A 11 43.054 -2.494 -35.184 1.00 0.00 C ATOM 0 H VAL A 11 40.660 -0.695 -33.724 1.00 0.00 H new ATOM 0 HA VAL A 11 43.297 0.187 -34.710 1.00 0.00 H new ATOM 0 HB VAL A 11 41.282 -1.670 -36.037 1.00 0.00 H new ATOM 0 HG11 VAL A 11 42.956 -1.881 -37.828 1.00 0.00 H new ATOM 0 HG12 VAL A 11 42.363 -0.211 -37.671 1.00 0.00 H new ATOM 0 HG13 VAL A 11 43.962 -0.651 -37.027 1.00 0.00 H new ATOM 0 HG21 VAL A 11 43.068 -3.357 -35.850 1.00 0.00 H new ATOM 0 HG22 VAL A 11 44.077 -2.185 -34.969 1.00 0.00 H new ATOM 0 HG23 VAL A 11 42.553 -2.762 -34.254 1.00 0.00 H new ATOM 151 N TYR A 12 42.210 2.172 -35.705 1.00 0.00 N ATOM 152 CA TYR A 12 41.645 3.350 -36.353 1.00 0.00 C ATOM 153 C TYR A 12 42.441 3.716 -37.600 1.00 0.00 C ATOM 154 O TYR A 12 43.321 2.971 -38.031 1.00 0.00 O ATOM 155 CB TYR A 12 41.642 4.536 -35.386 1.00 0.00 C ATOM 156 CG TYR A 12 40.733 4.357 -34.197 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.353 4.381 -34.341 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.260 4.163 -32.928 1.00 0.00 C ATOM 159 CE1 TYR A 12 38.520 4.216 -33.250 1.00 0.00 C ATOM 160 CE2 TYR A 12 40.435 3.995 -31.832 1.00 0.00 C ATOM 161 CZ TYR A 12 39.066 4.022 -31.999 1.00 0.00 C ATOM 162 OH TYR A 12 38.241 3.856 -30.909 1.00 0.00 O ATOM 0 H TYR A 12 43.142 2.315 -35.315 1.00 0.00 H new ATOM 0 HA TYR A 12 40.621 3.116 -36.644 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.659 4.704 -35.031 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.341 5.433 -35.928 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.923 4.531 -35.320 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.332 4.143 -32.795 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.448 4.239 -33.377 1.00 0.00 H new ATOM 0 HE2 TYR A 12 40.860 3.843 -30.851 1.00 0.00 H new ATOM 0 HH TYR A 12 38.573 4.396 -30.162 1.00 0.00 H new ATOM 172 N SER A 13 42.131 4.876 -38.167 1.00 0.00 N ATOM 173 CA SER A 13 42.818 5.357 -39.356 1.00 0.00 C ATOM 174 C SER A 13 43.023 6.864 -39.279 1.00 0.00 C ATOM 175 O SER A 13 42.121 7.602 -38.885 1.00 0.00 O ATOM 176 CB SER A 13 42.027 4.995 -40.613 1.00 0.00 C ATOM 177 OG SER A 13 42.221 3.637 -40.966 1.00 0.00 O ATOM 0 H SER A 13 41.405 5.502 -37.819 1.00 0.00 H new ATOM 0 HA SER A 13 43.794 4.875 -39.408 1.00 0.00 H new ATOM 0 HB2 SER A 13 40.966 5.182 -40.445 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.337 5.636 -41.438 1.00 0.00 H new ATOM 0 HG SER A 13 42.745 3.189 -40.269 1.00 0.00 H new ATOM 183 N VAL A 14 44.219 7.307 -39.651 1.00 0.00 N ATOM 184 CA VAL A 14 44.568 8.725 -39.623 1.00 0.00 C ATOM 185 C VAL A 14 43.354 9.616 -39.878 1.00 0.00 C ATOM 186 O VAL A 14 43.080 10.000 -41.015 1.00 0.00 O ATOM 187 CB VAL A 14 45.660 9.045 -40.664 1.00 0.00 C ATOM 188 CG1 VAL A 14 45.347 8.369 -41.989 1.00 0.00 C ATOM 189 CG2 VAL A 14 45.812 10.548 -40.847 1.00 0.00 C ATOM 0 H VAL A 14 44.970 6.699 -39.978 1.00 0.00 H new ATOM 0 HA VAL A 14 44.946 8.934 -38.622 1.00 0.00 H new ATOM 0 HB VAL A 14 46.608 8.654 -40.295 1.00 0.00 H new ATOM 0 HG11 VAL A 14 46.128 8.606 -42.712 1.00 0.00 H new ATOM 0 HG12 VAL A 14 45.301 7.290 -41.845 1.00 0.00 H new ATOM 0 HG13 VAL A 14 44.387 8.726 -42.362 1.00 0.00 H new ATOM 0 HG21 VAL A 14 46.588 10.748 -41.586 1.00 0.00 H new ATOM 0 HG22 VAL A 14 44.867 10.970 -41.190 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.090 11.004 -39.897 1.00 0.00 H new ATOM 199 N GLY A 15 42.638 9.952 -38.807 1.00 0.00 N ATOM 200 CA GLY A 15 41.472 10.809 -38.931 1.00 0.00 C ATOM 201 C GLY A 15 40.213 10.210 -38.328 1.00 0.00 C ATOM 202 O GLY A 15 39.129 10.774 -38.469 1.00 0.00 O ATOM 0 H GLY A 15 42.845 9.646 -37.856 1.00 0.00 H new ATOM 0 HA2 GLY A 15 41.679 11.763 -38.446 1.00 0.00 H new ATOM 0 HA3 GLY A 15 41.296 11.019 -39.986 1.00 0.00 H new ATOM 206 N MET A 16 40.349 9.072 -37.654 1.00 0.00 N ATOM 207 CA MET A 16 39.201 8.419 -37.035 1.00 0.00 C ATOM 208 C MET A 16 39.108 8.778 -35.557 1.00 0.00 C ATOM 209 O MET A 16 39.961 8.390 -34.759 1.00 0.00 O ATOM 210 CB MET A 16 39.295 6.904 -37.197 1.00 0.00 C ATOM 211 CG MET A 16 39.049 6.425 -38.619 1.00 0.00 C ATOM 212 SD MET A 16 37.415 5.695 -38.835 1.00 0.00 S ATOM 213 CE MET A 16 37.676 4.068 -38.131 1.00 0.00 C ATOM 0 H MET A 16 41.236 8.586 -37.523 1.00 0.00 H new ATOM 0 HA MET A 16 38.301 8.772 -37.537 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.284 6.574 -36.878 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.571 6.431 -36.533 1.00 0.00 H new ATOM 0 HG2 MET A 16 39.161 7.265 -39.305 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.809 5.691 -38.887 1.00 0.00 H new ATOM 0 HE1 MET A 16 37.284 3.311 -38.810 1.00 0.00 H new ATOM 0 HE2 MET A 16 38.743 3.903 -37.981 1.00 0.00 H new ATOM 0 HE3 MET A 16 37.160 3.999 -37.173 1.00 0.00 H new ATOM 223 N GLN A 17 38.066 9.520 -35.197 1.00 0.00 N ATOM 224 CA GLN A 17 37.864 9.931 -33.813 1.00 0.00 C ATOM 225 C GLN A 17 37.146 8.844 -33.021 1.00 0.00 C ATOM 226 O GLN A 17 36.413 8.032 -33.585 1.00 0.00 O ATOM 227 CB GLN A 17 37.058 11.231 -33.757 1.00 0.00 C ATOM 228 CG GLN A 17 37.644 12.347 -34.604 1.00 0.00 C ATOM 229 CD GLN A 17 36.643 13.452 -34.885 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.648 14.051 -35.960 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.778 13.725 -33.915 1.00 0.00 N ATOM 0 H GLN A 17 37.349 9.849 -35.844 1.00 0.00 H new ATOM 0 HA GLN A 17 38.843 10.097 -33.365 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.039 11.031 -34.089 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.996 11.566 -32.722 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.511 12.768 -34.095 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.998 11.934 -35.548 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.811 13.202 -33.040 1.00 0.00 H new ATOM 0 HE22 GLN A 17 35.080 14.458 -34.045 1.00 0.00 H new ATOM 240 N TRP A 18 37.359 8.838 -31.710 1.00 0.00 N ATOM 241 CA TRP A 18 36.730 7.854 -30.838 1.00 0.00 C ATOM 242 C TRP A 18 36.721 8.339 -29.392 1.00 0.00 C ATOM 243 O TRP A 18 37.081 9.481 -29.107 1.00 0.00 O ATOM 244 CB TRP A 18 37.448 6.508 -30.944 1.00 0.00 C ATOM 245 CG TRP A 18 38.825 6.513 -30.356 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.157 6.303 -29.050 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.056 6.737 -31.053 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.518 6.380 -28.890 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.093 6.649 -30.105 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.384 7.006 -32.386 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.432 6.818 -30.449 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.713 7.173 -32.724 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.722 7.078 -31.760 1.00 0.00 C ATOM 0 H TRP A 18 37.963 9.504 -31.228 1.00 0.00 H new ATOM 0 HA TRP A 18 35.697 7.724 -31.162 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.851 5.747 -30.442 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.512 6.222 -31.994 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.451 6.105 -28.257 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.020 6.257 -28.010 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.612 7.082 -33.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.213 6.746 -29.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.977 7.381 -33.750 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.752 7.213 -32.057 1.00 0.00 H new ATOM 264 N LEU A 19 36.304 7.466 -28.480 1.00 0.00 N ATOM 265 CA LEU A 19 36.243 7.816 -27.065 1.00 0.00 C ATOM 266 C LEU A 19 37.023 6.818 -26.217 1.00 0.00 C ATOM 267 O LEU A 19 37.221 5.669 -26.613 1.00 0.00 O ATOM 268 CB LEU A 19 34.786 7.869 -26.598 1.00 0.00 C ATOM 269 CG LEU A 19 34.510 8.837 -25.445 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.497 10.274 -25.945 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.191 8.496 -24.769 1.00 0.00 C ATOM 0 H LEU A 19 36.004 6.515 -28.694 1.00 0.00 H new ATOM 0 HA LEU A 19 36.698 8.799 -26.941 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.159 8.148 -27.445 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.482 6.868 -26.293 1.00 0.00 H new ATOM 0 HG LEU A 19 35.310 8.736 -24.712 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.299 10.948 -25.111 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.465 10.515 -26.385 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.717 10.390 -26.698 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.010 9.194 -23.951 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.381 8.569 -25.494 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.236 7.480 -24.376 1.00 0.00 H new ATOM 283 N LYS A 20 37.462 7.268 -25.047 1.00 0.00 N ATOM 284 CA LYS A 20 38.221 6.419 -24.136 1.00 0.00 C ATOM 285 C LYS A 20 37.868 6.728 -22.684 1.00 0.00 C ATOM 286 O LYS A 20 37.308 7.783 -22.383 1.00 0.00 O ATOM 287 CB LYS A 20 39.723 6.607 -24.364 1.00 0.00 C ATOM 288 CG LYS A 20 40.513 5.308 -24.325 1.00 0.00 C ATOM 289 CD LYS A 20 41.972 5.557 -23.981 1.00 0.00 C ATOM 290 CE LYS A 20 42.134 6.017 -22.541 1.00 0.00 C ATOM 291 NZ LYS A 20 42.356 4.873 -21.614 1.00 0.00 N ATOM 0 H LYS A 20 37.305 8.217 -24.707 1.00 0.00 H new ATOM 0 HA LYS A 20 37.959 5.381 -24.340 1.00 0.00 H new ATOM 0 HB2 LYS A 20 39.878 7.088 -25.330 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.115 7.284 -23.605 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.074 4.635 -23.589 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.445 4.810 -25.292 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.545 4.643 -24.139 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.382 6.311 -24.653 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.974 6.708 -22.473 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.244 6.566 -22.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 41.504 4.723 -21.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 42.556 4.014 -22.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.163 5.082 -20.992 1.00 0.00 H new ATOM 305 N THR A 21 38.199 5.803 -21.788 1.00 0.00 N ATOM 306 CA THR A 21 37.914 5.979 -20.367 1.00 0.00 C ATOM 307 C THR A 21 38.991 5.332 -19.504 1.00 0.00 C ATOM 308 O THR A 21 39.678 4.408 -19.940 1.00 0.00 O ATOM 309 CB THR A 21 36.547 5.379 -19.990 1.00 0.00 C ATOM 310 OG1 THR A 21 35.728 5.246 -21.158 1.00 0.00 O ATOM 311 CG2 THR A 21 35.837 6.249 -18.963 1.00 0.00 C ATOM 0 H THR A 21 38.664 4.925 -22.020 1.00 0.00 H new ATOM 0 HA THR A 21 37.898 7.053 -20.181 1.00 0.00 H new ATOM 0 HB THR A 21 36.717 4.395 -19.554 1.00 0.00 H new ATOM 0 HG1 THR A 21 34.862 4.862 -20.908 1.00 0.00 H new ATOM 0 HG21 THR A 21 34.874 5.804 -18.713 1.00 0.00 H new ATOM 0 HG22 THR A 21 36.448 6.322 -18.063 1.00 0.00 H new ATOM 0 HG23 THR A 21 35.680 7.245 -19.376 1.00 0.00 H new ATOM 319 N GLN A 22 39.133 5.824 -18.278 1.00 0.00 N ATOM 320 CA GLN A 22 40.124 5.291 -17.350 1.00 0.00 C ATOM 321 C GLN A 22 39.445 4.567 -16.190 1.00 0.00 C ATOM 322 O GLN A 22 39.996 4.476 -15.094 1.00 0.00 O ATOM 323 CB GLN A 22 41.013 6.415 -16.815 1.00 0.00 C ATOM 324 CG GLN A 22 42.072 6.876 -17.803 1.00 0.00 C ATOM 325 CD GLN A 22 43.465 6.414 -17.421 1.00 0.00 C ATOM 326 OE1 GLN A 22 43.810 6.356 -16.241 1.00 0.00 O ATOM 327 NE2 GLN A 22 44.273 6.084 -18.422 1.00 0.00 N ATOM 0 H GLN A 22 38.574 6.591 -17.904 1.00 0.00 H new ATOM 0 HA GLN A 22 40.744 4.576 -17.891 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.386 7.265 -16.544 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.503 6.076 -15.902 1.00 0.00 H new ATOM 0 HG2 GLN A 22 41.827 6.498 -18.796 1.00 0.00 H new ATOM 0 HG3 GLN A 22 42.058 7.964 -17.864 1.00 0.00 H new ATOM 0 HE21 GLN A 22 43.944 6.148 -19.385 1.00 0.00 H new ATOM 0 HE22 GLN A 22 45.223 5.767 -18.227 1.00 0.00 H new ATOM 336 N GLY A 23 38.246 4.053 -16.444 1.00 0.00 N ATOM 337 CA GLY A 23 37.511 3.343 -15.415 1.00 0.00 C ATOM 338 C GLY A 23 36.791 4.278 -14.462 1.00 0.00 C ATOM 339 O GLY A 23 36.160 3.833 -13.504 1.00 0.00 O ATOM 0 H GLY A 23 37.771 4.116 -17.344 1.00 0.00 H new ATOM 0 HA2 GLY A 23 36.785 2.679 -15.885 1.00 0.00 H new ATOM 0 HA3 GLY A 23 38.199 2.714 -14.850 1.00 0.00 H new ATOM 343 N ASN A 24 36.888 5.577 -14.725 1.00 0.00 N ATOM 344 CA ASN A 24 36.241 6.576 -13.880 1.00 0.00 C ATOM 345 C ASN A 24 36.148 7.921 -14.593 1.00 0.00 C ATOM 346 O ASN A 24 35.152 8.634 -14.465 1.00 0.00 O ATOM 347 CB ASN A 24 37.010 6.736 -12.568 1.00 0.00 C ATOM 348 CG ASN A 24 36.112 6.617 -11.351 1.00 0.00 C ATOM 349 OD1 ASN A 24 35.479 7.588 -10.936 1.00 0.00 O ATOM 350 ND2 ASN A 24 36.053 5.422 -10.775 1.00 0.00 N ATOM 0 H ASN A 24 37.407 5.963 -15.514 1.00 0.00 H new ATOM 0 HA ASN A 24 35.230 6.231 -13.665 1.00 0.00 H new ATOM 0 HB2 ASN A 24 37.792 5.979 -12.514 1.00 0.00 H new ATOM 0 HB3 ASN A 24 37.505 7.707 -12.557 1.00 0.00 H new ATOM 0 HD21 ASN A 24 35.465 5.280 -9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 24 36.595 4.646 -11.154 1.00 0.00 H new ATOM 357 N LYS A 25 37.192 8.266 -15.339 1.00 0.00 N ATOM 358 CA LYS A 25 37.227 9.529 -16.066 1.00 0.00 C ATOM 359 C LYS A 25 37.043 9.308 -17.564 1.00 0.00 C ATOM 360 O LYS A 25 37.527 8.322 -18.120 1.00 0.00 O ATOM 361 CB LYS A 25 38.550 10.251 -15.806 1.00 0.00 C ATOM 362 CG LYS A 25 39.112 10.007 -14.416 1.00 0.00 C ATOM 363 CD LYS A 25 38.299 10.726 -13.352 1.00 0.00 C ATOM 364 CE LYS A 25 39.045 11.930 -12.800 1.00 0.00 C ATOM 365 NZ LYS A 25 38.168 13.130 -12.707 1.00 0.00 N ATOM 0 H LYS A 25 38.025 7.689 -15.456 1.00 0.00 H new ATOM 0 HA LYS A 25 36.403 10.146 -15.708 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.282 9.929 -16.547 1.00 0.00 H new ATOM 0 HB3 LYS A 25 38.404 11.322 -15.947 1.00 0.00 H new ATOM 0 HG2 LYS A 25 39.120 8.937 -14.208 1.00 0.00 H new ATOM 0 HG3 LYS A 25 40.147 10.347 -14.376 1.00 0.00 H new ATOM 0 HD2 LYS A 25 37.348 11.049 -13.776 1.00 0.00 H new ATOM 0 HD3 LYS A 25 38.069 10.036 -12.540 1.00 0.00 H new ATOM 0 HE2 LYS A 25 39.440 11.691 -11.813 1.00 0.00 H new ATOM 0 HE3 LYS A 25 39.899 12.153 -13.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 38.713 13.930 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 37.811 13.373 -13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 37.366 12.926 -12.077 1.00 0.00 H new ATOM 379 N GLN A 26 36.345 10.235 -18.212 1.00 0.00 N ATOM 380 CA GLN A 26 36.102 10.147 -19.647 1.00 0.00 C ATOM 381 C GLN A 26 37.226 10.824 -20.423 1.00 0.00 C ATOM 382 O GLN A 26 38.021 11.572 -19.853 1.00 0.00 O ATOM 383 CB GLN A 26 34.759 10.790 -20.001 1.00 0.00 C ATOM 384 CG GLN A 26 33.821 9.865 -20.755 1.00 0.00 C ATOM 385 CD GLN A 26 32.566 9.537 -19.969 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.405 8.423 -19.473 1.00 0.00 O ATOM 387 NE2 GLN A 26 31.670 10.510 -19.853 1.00 0.00 N ATOM 0 H GLN A 26 35.937 11.056 -17.765 1.00 0.00 H new ATOM 0 HA GLN A 26 36.072 9.093 -19.925 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.271 11.120 -19.084 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.940 11.680 -20.604 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.542 10.330 -21.701 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.345 8.941 -20.997 1.00 0.00 H new ATOM 0 HE21 GLN A 26 31.846 11.419 -20.281 1.00 0.00 H new ATOM 0 HE22 GLN A 26 30.806 10.349 -19.336 1.00 0.00 H new ATOM 396 N MET A 27 37.291 10.562 -21.724 1.00 0.00 N ATOM 397 CA MET A 27 38.325 11.153 -22.564 1.00 0.00 C ATOM 398 C MET A 27 38.115 10.806 -24.034 1.00 0.00 C ATOM 399 O MET A 27 38.030 9.634 -24.401 1.00 0.00 O ATOM 400 CB MET A 27 39.706 10.676 -22.111 1.00 0.00 C ATOM 401 CG MET A 27 40.804 11.708 -22.309 1.00 0.00 C ATOM 402 SD MET A 27 42.310 10.997 -23.002 1.00 0.00 S ATOM 403 CE MET A 27 43.559 11.906 -22.095 1.00 0.00 C ATOM 0 H MET A 27 36.643 9.947 -22.217 1.00 0.00 H new ATOM 0 HA MET A 27 38.261 12.236 -22.459 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.659 10.406 -21.056 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.966 9.771 -22.660 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.442 12.496 -22.969 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.035 12.175 -21.352 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.549 11.579 -22.412 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.449 12.972 -22.293 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.440 11.721 -21.027 1.00 0.00 H new ATOM 413 N LEU A 28 38.045 11.835 -24.872 1.00 0.00 N ATOM 414 CA LEU A 28 37.860 11.645 -26.306 1.00 0.00 C ATOM 415 C LEU A 28 39.211 11.622 -27.013 1.00 0.00 C ATOM 416 O LEU A 28 39.964 12.592 -26.957 1.00 0.00 O ATOM 417 CB LEU A 28 36.989 12.762 -26.883 1.00 0.00 C ATOM 418 CG LEU A 28 36.388 12.467 -28.257 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.873 12.580 -28.209 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.964 13.409 -29.303 1.00 0.00 C ATOM 0 H LEU A 28 38.114 12.811 -24.582 1.00 0.00 H new ATOM 0 HA LEU A 28 37.359 10.690 -26.467 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.178 12.967 -26.185 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.588 13.670 -26.952 1.00 0.00 H new ATOM 0 HG LEU A 28 36.647 11.446 -28.537 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.461 12.367 -29.195 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.477 11.864 -27.488 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.593 13.590 -27.909 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.525 13.185 -30.275 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.735 14.439 -29.030 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.045 13.279 -29.354 1.00 0.00 H new ATOM 432 N CYS A 29 39.515 10.506 -27.667 1.00 0.00 N ATOM 433 CA CYS A 29 40.784 10.356 -28.371 1.00 0.00 C ATOM 434 C CYS A 29 40.605 10.482 -29.881 1.00 0.00 C ATOM 435 O CYS A 29 39.633 9.983 -30.447 1.00 0.00 O ATOM 436 CB CYS A 29 41.409 9.002 -28.032 1.00 0.00 C ATOM 437 SG CYS A 29 42.469 9.014 -26.551 1.00 0.00 S ATOM 0 H CYS A 29 38.901 9.693 -27.724 1.00 0.00 H new ATOM 0 HA CYS A 29 41.446 11.158 -28.044 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.612 8.273 -27.888 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.999 8.664 -28.884 1.00 0.00 H new ATOM 442 N THR A 30 41.563 11.142 -30.530 1.00 0.00 N ATOM 443 CA THR A 30 41.527 11.326 -31.977 1.00 0.00 C ATOM 444 C THR A 30 42.918 11.175 -32.572 1.00 0.00 C ATOM 445 O THR A 30 43.907 11.610 -31.982 1.00 0.00 O ATOM 446 CB THR A 30 40.971 12.707 -32.373 1.00 0.00 C ATOM 447 OG1 THR A 30 39.620 12.844 -31.914 1.00 0.00 O ATOM 448 CG2 THR A 30 41.022 12.892 -33.887 1.00 0.00 C ATOM 0 H THR A 30 42.375 11.558 -30.074 1.00 0.00 H new ATOM 0 HA THR A 30 40.863 10.556 -32.371 1.00 0.00 H new ATOM 0 HB THR A 30 41.589 13.473 -31.905 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.276 13.725 -32.169 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.625 13.873 -34.147 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.054 12.816 -34.228 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.423 12.119 -34.368 1.00 0.00 H new ATOM 456 N CYS A 31 42.991 10.559 -33.744 1.00 0.00 N ATOM 457 CA CYS A 31 44.264 10.357 -34.415 1.00 0.00 C ATOM 458 C CYS A 31 44.377 11.264 -35.633 1.00 0.00 C ATOM 459 O CYS A 31 43.758 11.019 -36.668 1.00 0.00 O ATOM 460 CB CYS A 31 44.422 8.892 -34.817 1.00 0.00 C ATOM 461 SG CYS A 31 43.075 8.251 -35.854 1.00 0.00 S ATOM 0 H CYS A 31 42.184 10.192 -34.248 1.00 0.00 H new ATOM 0 HA CYS A 31 45.067 10.615 -33.724 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.364 8.774 -35.352 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.490 8.285 -33.914 1.00 0.00 H new ATOM 466 N LEU A 32 45.165 12.325 -35.491 1.00 0.00 N ATOM 467 CA LEU A 32 45.358 13.289 -36.569 1.00 0.00 C ATOM 468 C LEU A 32 46.358 12.771 -37.602 1.00 0.00 C ATOM 469 O LEU A 32 45.996 12.002 -38.491 1.00 0.00 O ATOM 470 CB LEU A 32 45.830 14.631 -36.001 1.00 0.00 C ATOM 471 CG LEU A 32 46.659 14.538 -34.719 1.00 0.00 C ATOM 472 CD1 LEU A 32 47.779 15.563 -34.729 1.00 0.00 C ATOM 473 CD2 LEU A 32 45.773 14.728 -33.496 1.00 0.00 C ATOM 0 H LEU A 32 45.681 12.539 -34.638 1.00 0.00 H new ATOM 0 HA LEU A 32 44.400 13.432 -37.069 1.00 0.00 H new ATOM 0 HB2 LEU A 32 46.421 15.142 -36.761 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.956 15.253 -35.806 1.00 0.00 H new ATOM 0 HG LEU A 32 47.105 13.545 -34.671 1.00 0.00 H new ATOM 0 HD11 LEU A 32 48.356 15.480 -33.808 1.00 0.00 H new ATOM 0 HD12 LEU A 32 48.431 15.382 -35.584 1.00 0.00 H new ATOM 0 HD13 LEU A 32 47.355 16.564 -34.802 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.380 14.659 -32.593 1.00 0.00 H new ATOM 0 HD22 LEU A 32 45.298 15.708 -33.540 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.006 13.953 -33.478 1.00 0.00 H new ATOM 485 N GLY A 33 47.615 13.196 -37.487 1.00 0.00 N ATOM 486 CA GLY A 33 48.630 12.759 -38.427 1.00 0.00 C ATOM 487 C GLY A 33 49.963 12.486 -37.762 1.00 0.00 C ATOM 488 O GLY A 33 50.598 11.464 -38.021 1.00 0.00 O ATOM 0 H GLY A 33 47.946 13.833 -36.762 1.00 0.00 H new ATOM 0 HA2 GLY A 33 48.288 11.855 -38.931 1.00 0.00 H new ATOM 0 HA3 GLY A 33 48.761 13.522 -39.195 1.00 0.00 H new ATOM 492 N ASN A 34 50.385 13.402 -36.899 1.00 0.00 N ATOM 493 CA ASN A 34 51.651 13.256 -36.190 1.00 0.00 C ATOM 494 C ASN A 34 51.504 12.269 -35.039 1.00 0.00 C ATOM 495 O ASN A 34 52.494 11.771 -34.502 1.00 0.00 O ATOM 496 CB ASN A 34 52.132 14.610 -35.663 1.00 0.00 C ATOM 497 CG ASN A 34 50.992 15.480 -35.173 1.00 0.00 C ATOM 498 OD1 ASN A 34 50.042 15.747 -35.907 1.00 0.00 O ATOM 499 ND2 ASN A 34 51.085 15.932 -33.926 1.00 0.00 N ATOM 0 H ASN A 34 49.870 14.253 -36.673 1.00 0.00 H new ATOM 0 HA ASN A 34 52.393 12.872 -36.890 1.00 0.00 H new ATOM 0 HB2 ASN A 34 52.838 14.449 -34.848 1.00 0.00 H new ATOM 0 HB3 ASN A 34 52.671 15.133 -36.453 1.00 0.00 H new ATOM 0 HD21 ASN A 34 50.350 16.526 -33.543 1.00 0.00 H new ATOM 0 HD22 ASN A 34 51.892 15.685 -33.353 1.00 0.00 H new ATOM 506 N GLY A 35 50.259 11.991 -34.667 1.00 0.00 N ATOM 507 CA GLY A 35 49.997 11.063 -33.586 1.00 0.00 C ATOM 508 C GLY A 35 48.523 10.969 -33.251 1.00 0.00 C ATOM 509 O GLY A 35 47.670 11.101 -34.129 1.00 0.00 O ATOM 0 H GLY A 35 49.426 12.393 -35.097 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.368 10.076 -33.860 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.549 11.376 -32.700 1.00 0.00 H new ATOM 513 N VAL A 36 48.222 10.745 -31.978 1.00 0.00 N ATOM 514 CA VAL A 36 46.839 10.639 -31.526 1.00 0.00 C ATOM 515 C VAL A 36 46.605 11.500 -30.289 1.00 0.00 C ATOM 516 O VAL A 36 47.154 11.235 -29.220 1.00 0.00 O ATOM 517 CB VAL A 36 46.457 9.175 -31.218 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.166 9.109 -30.416 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.335 8.377 -32.506 1.00 0.00 C ATOM 0 H VAL A 36 48.917 10.633 -31.240 1.00 0.00 H new ATOM 0 HA VAL A 36 46.206 10.999 -32.337 1.00 0.00 H new ATOM 0 HB VAL A 36 47.249 8.733 -30.614 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.918 8.068 -30.211 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.295 9.643 -29.475 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.359 9.569 -30.987 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.065 7.347 -32.272 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.564 8.820 -33.137 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.288 8.391 -33.034 1.00 0.00 H new ATOM 529 N SER A 37 45.785 12.535 -30.446 1.00 0.00 N ATOM 530 CA SER A 37 45.475 13.440 -29.346 1.00 0.00 C ATOM 531 C SER A 37 44.070 13.186 -28.816 1.00 0.00 C ATOM 532 O SER A 37 43.196 12.720 -29.547 1.00 0.00 O ATOM 533 CB SER A 37 45.606 14.894 -29.803 1.00 0.00 C ATOM 534 OG SER A 37 45.576 15.780 -28.698 1.00 0.00 O ATOM 0 H SER A 37 45.323 12.767 -31.325 1.00 0.00 H new ATOM 0 HA SER A 37 46.187 13.254 -28.542 1.00 0.00 H new ATOM 0 HB2 SER A 37 46.539 15.023 -30.352 1.00 0.00 H new ATOM 0 HB3 SER A 37 44.796 15.137 -30.490 1.00 0.00 H new ATOM 0 HG SER A 37 45.663 16.703 -29.016 1.00 0.00 H new ATOM 540 N CYS A 38 43.858 13.491 -27.542 1.00 0.00 N ATOM 541 CA CYS A 38 42.557 13.289 -26.919 1.00 0.00 C ATOM 542 C CYS A 38 42.176 14.477 -26.044 1.00 0.00 C ATOM 543 O CYS A 38 43.035 15.256 -25.628 1.00 0.00 O ATOM 544 CB CYS A 38 42.567 12.008 -26.085 1.00 0.00 C ATOM 545 SG CYS A 38 43.604 10.680 -26.777 1.00 0.00 S ATOM 0 H CYS A 38 44.569 13.878 -26.921 1.00 0.00 H new ATOM 0 HA CYS A 38 41.814 13.197 -27.711 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.919 12.244 -25.081 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.545 11.643 -25.987 1.00 0.00 H new ATOM 550 N GLN A 39 40.883 14.609 -25.765 1.00 0.00 N ATOM 551 CA GLN A 39 40.387 15.702 -24.937 1.00 0.00 C ATOM 552 C GLN A 39 39.945 15.187 -23.571 1.00 0.00 C ATOM 553 O GLN A 39 38.892 14.561 -23.443 1.00 0.00 O ATOM 554 CB GLN A 39 39.222 16.408 -25.632 1.00 0.00 C ATOM 555 CG GLN A 39 39.629 17.153 -26.893 1.00 0.00 C ATOM 556 CD GLN A 39 38.461 17.861 -27.552 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.192 17.667 -28.738 1.00 0.00 O ATOM 558 NE2 GLN A 39 37.761 18.688 -26.785 1.00 0.00 N ATOM 0 H GLN A 39 40.160 13.972 -26.100 1.00 0.00 H new ATOM 0 HA GLN A 39 41.198 16.415 -24.792 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.460 15.671 -25.885 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.766 17.111 -24.935 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.400 17.883 -26.647 1.00 0.00 H new ATOM 0 HG3 GLN A 39 40.069 16.450 -27.600 1.00 0.00 H new ATOM 0 HE21 GLN A 39 38.020 18.818 -25.807 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.965 19.193 -27.174 1.00 0.00 H new ATOM 567 N GLU A 40 40.758 15.451 -22.554 1.00 0.00 N ATOM 568 CA GLU A 40 40.454 15.013 -21.198 1.00 0.00 C ATOM 569 C GLU A 40 39.006 15.323 -20.834 1.00 0.00 C ATOM 570 O GLU A 40 38.565 16.468 -20.926 1.00 0.00 O ATOM 571 CB GLU A 40 41.399 15.680 -20.200 1.00 0.00 C ATOM 572 CG GLU A 40 42.229 14.690 -19.402 1.00 0.00 C ATOM 573 CD GLU A 40 43.712 15.004 -19.442 1.00 0.00 C ATOM 574 OE1 GLU A 40 44.382 14.581 -20.408 1.00 0.00 O ATOM 575 OE2 GLU A 40 44.203 15.672 -18.508 1.00 0.00 O ATOM 0 H GLU A 40 41.633 15.967 -22.644 1.00 0.00 H new ATOM 0 HA GLU A 40 40.595 13.933 -21.154 1.00 0.00 H new ATOM 0 HB2 GLU A 40 42.067 16.353 -20.737 1.00 0.00 H new ATOM 0 HB3 GLU A 40 40.816 16.292 -19.512 1.00 0.00 H new ATOM 0 HG2 GLU A 40 41.890 14.689 -18.366 1.00 0.00 H new ATOM 0 HG3 GLU A 40 42.064 13.686 -19.792 1.00 0.00 H new ATOM 582 N THR A 41 38.275 14.293 -20.420 1.00 0.00 N ATOM 583 CA THR A 41 36.877 14.449 -20.039 1.00 0.00 C ATOM 584 C THR A 41 35.973 14.481 -21.265 1.00 0.00 C ATOM 585 O THR A 41 34.977 13.759 -21.334 1.00 0.00 O ATOM 586 CB THR A 41 36.657 15.735 -19.222 1.00 0.00 C ATOM 587 OG1 THR A 41 37.640 15.830 -18.183 1.00 0.00 O ATOM 588 CG2 THR A 41 35.263 15.755 -18.611 1.00 0.00 C ATOM 0 H THR A 41 38.629 13.340 -20.340 1.00 0.00 H new ATOM 0 HA THR A 41 36.620 13.587 -19.423 1.00 0.00 H new ATOM 0 HB THR A 41 36.755 16.588 -19.894 1.00 0.00 H new ATOM 0 HG1 THR A 41 37.494 16.652 -17.669 1.00 0.00 H new ATOM 0 HG21 THR A 41 35.130 16.673 -18.038 1.00 0.00 H new ATOM 0 HG22 THR A 41 34.517 15.711 -19.405 1.00 0.00 H new ATOM 0 HG23 THR A 41 35.142 14.895 -17.952 1.00 0.00 H new ATOM 596 N ALA A 42 36.325 15.321 -22.231 1.00 0.00 N ATOM 597 CA ALA A 42 35.544 15.446 -23.455 1.00 0.00 C ATOM 598 C ALA A 42 34.381 16.415 -23.267 1.00 0.00 C ATOM 599 O ALA A 42 34.381 17.514 -23.824 1.00 0.00 O ATOM 600 CB ALA A 42 35.032 14.083 -23.894 1.00 0.00 C ATOM 0 H ALA A 42 37.146 15.925 -22.190 1.00 0.00 H new ATOM 0 HA ALA A 42 36.194 15.846 -24.233 1.00 0.00 H new ATOM 0 HB1 ALA A 42 34.450 14.190 -24.809 1.00 0.00 H new ATOM 0 HB2 ALA A 42 35.877 13.419 -24.077 1.00 0.00 H new ATOM 0 HB3 ALA A 42 34.402 13.662 -23.111 1.00 0.00 H new ATOM 606 N VAL A 43 33.391 16.000 -22.483 1.00 0.00 N ATOM 607 CA VAL A 43 32.220 16.831 -22.226 1.00 0.00 C ATOM 608 C VAL A 43 32.614 18.170 -21.613 1.00 0.00 C ATOM 609 O VAL A 43 33.796 18.449 -21.410 1.00 0.00 O ATOM 610 CB VAL A 43 31.225 16.124 -21.289 1.00 0.00 C ATOM 611 CG1 VAL A 43 30.878 14.744 -21.824 1.00 0.00 C ATOM 612 CG2 VAL A 43 31.788 16.031 -19.879 1.00 0.00 C ATOM 0 H VAL A 43 33.376 15.094 -22.015 1.00 0.00 H new ATOM 0 HA VAL A 43 31.741 17.005 -23.190 1.00 0.00 H new ATOM 0 HB VAL A 43 30.310 16.715 -21.250 1.00 0.00 H new ATOM 0 HG11 VAL A 43 30.173 14.259 -21.149 1.00 0.00 H new ATOM 0 HG12 VAL A 43 30.427 14.840 -22.812 1.00 0.00 H new ATOM 0 HG13 VAL A 43 31.785 14.143 -21.896 1.00 0.00 H new ATOM 0 HG21 VAL A 43 31.069 15.528 -19.233 1.00 0.00 H new ATOM 0 HG22 VAL A 43 32.719 15.465 -19.896 1.00 0.00 H new ATOM 0 HG23 VAL A 43 31.980 17.034 -19.497 1.00 0.00 H new ATOM 622 N THR A 44 31.615 18.995 -21.322 1.00 0.00 N ATOM 623 CA THR A 44 31.853 20.306 -20.734 1.00 0.00 C ATOM 624 C THR A 44 31.236 20.405 -19.343 1.00 0.00 C ATOM 625 O THR A 44 30.815 19.403 -18.767 1.00 0.00 O ATOM 626 CB THR A 44 31.283 21.431 -21.618 1.00 0.00 C ATOM 627 OG1 THR A 44 30.531 20.870 -22.701 1.00 0.00 O ATOM 628 CG2 THR A 44 32.400 22.305 -22.169 1.00 0.00 C ATOM 0 H THR A 44 30.632 18.778 -21.484 1.00 0.00 H new ATOM 0 HA THR A 44 32.934 20.427 -20.659 1.00 0.00 H new ATOM 0 HB THR A 44 30.629 22.049 -21.004 1.00 0.00 H new ATOM 0 HG1 THR A 44 29.782 20.349 -22.344 1.00 0.00 H new ATOM 0 HG21 THR A 44 31.973 23.092 -22.790 1.00 0.00 H new ATOM 0 HG22 THR A 44 32.952 22.754 -21.343 1.00 0.00 H new ATOM 0 HG23 THR A 44 33.076 21.696 -22.769 1.00 0.00 H new ATOM 636 N GLN A 45 31.189 21.620 -18.807 1.00 0.00 N ATOM 637 CA GLN A 45 30.628 21.851 -17.482 1.00 0.00 C ATOM 638 C GLN A 45 29.174 22.302 -17.575 1.00 0.00 C ATOM 639 O GLN A 45 28.850 23.243 -18.300 1.00 0.00 O ATOM 640 CB GLN A 45 31.455 22.899 -16.733 1.00 0.00 C ATOM 641 CG GLN A 45 32.790 23.212 -17.393 1.00 0.00 C ATOM 642 CD GLN A 45 33.752 23.917 -16.458 1.00 0.00 C ATOM 643 OE1 GLN A 45 34.305 24.965 -16.792 1.00 0.00 O ATOM 644 NE2 GLN A 45 33.959 23.342 -15.278 1.00 0.00 N ATOM 0 H GLN A 45 31.533 22.461 -19.271 1.00 0.00 H new ATOM 0 HA GLN A 45 30.660 20.911 -16.932 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.875 23.818 -16.654 1.00 0.00 H new ATOM 0 HB3 GLN A 45 31.636 22.548 -15.717 1.00 0.00 H new ATOM 0 HG2 GLN A 45 33.244 22.285 -17.744 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.620 23.836 -18.271 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.479 22.473 -15.043 1.00 0.00 H new ATOM 0 HE22 GLN A 45 34.598 23.769 -14.607 1.00 0.00 H new ATOM 653 N THR A 46 28.301 21.624 -16.837 1.00 0.00 N ATOM 654 CA THR A 46 26.880 21.956 -16.836 1.00 0.00 C ATOM 655 C THR A 46 26.541 22.908 -15.695 1.00 0.00 C ATOM 656 O THR A 46 27.219 22.925 -14.666 1.00 0.00 O ATOM 657 CB THR A 46 26.006 20.695 -16.714 1.00 0.00 C ATOM 658 OG1 THR A 46 26.130 20.135 -15.402 1.00 0.00 O ATOM 659 CG2 THR A 46 26.404 19.657 -17.751 1.00 0.00 C ATOM 0 H THR A 46 28.552 20.842 -16.232 1.00 0.00 H new ATOM 0 HA THR A 46 26.669 22.442 -17.788 1.00 0.00 H new ATOM 0 HB THR A 46 24.969 20.983 -16.889 1.00 0.00 H new ATOM 0 HG1 THR A 46 25.908 19.181 -15.431 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.772 18.775 -17.644 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.279 20.074 -18.750 1.00 0.00 H new ATOM 0 HG23 THR A 46 27.447 19.376 -17.603 1.00 0.00 H new ATOM 667 N TYR A 47 25.490 23.699 -15.882 1.00 0.00 N ATOM 668 CA TYR A 47 25.064 24.655 -14.866 1.00 0.00 C ATOM 669 C TYR A 47 23.597 24.451 -14.502 1.00 0.00 C ATOM 670 O TYR A 47 23.204 24.625 -13.349 1.00 0.00 O ATOM 671 CB TYR A 47 25.279 26.085 -15.359 1.00 0.00 C ATOM 672 CG TYR A 47 25.004 26.268 -16.834 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.703 26.256 -17.323 1.00 0.00 C ATOM 674 CD2 TYR A 47 26.042 26.452 -17.738 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.446 26.424 -18.670 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.793 26.621 -19.087 1.00 0.00 C ATOM 677 CZ TYR A 47 24.494 26.606 -19.548 1.00 0.00 C ATOM 678 OH TYR A 47 24.240 26.773 -20.889 1.00 0.00 O ATOM 0 H TYR A 47 24.918 23.697 -16.726 1.00 0.00 H new ATOM 0 HA TYR A 47 25.668 24.487 -13.974 1.00 0.00 H new ATOM 0 HB2 TYR A 47 24.633 26.756 -14.792 1.00 0.00 H new ATOM 0 HB3 TYR A 47 26.307 26.381 -15.151 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.880 26.113 -16.639 1.00 0.00 H new ATOM 0 HD2 TYR A 47 27.061 26.463 -17.381 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.429 26.413 -19.034 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.612 26.764 -19.776 1.00 0.00 H new ATOM 0 HH TYR A 47 24.989 26.417 -21.411 1.00 0.00 H new ATOM 688 N GLY A 48 22.791 24.083 -15.492 1.00 0.00 N ATOM 689 CA GLY A 48 21.376 23.865 -15.252 1.00 0.00 C ATOM 690 C GLY A 48 20.720 23.034 -16.337 1.00 0.00 C ATOM 691 O GLY A 48 21.089 21.879 -16.552 1.00 0.00 O ATOM 0 H GLY A 48 23.091 23.932 -16.455 1.00 0.00 H new ATOM 0 HA2 GLY A 48 21.247 23.367 -14.291 1.00 0.00 H new ATOM 0 HA3 GLY A 48 20.871 24.828 -15.182 1.00 0.00 H new ATOM 695 N GLY A 49 19.743 23.622 -17.021 1.00 0.00 N ATOM 696 CA GLY A 49 19.049 22.912 -18.079 1.00 0.00 C ATOM 697 C GLY A 49 17.772 22.255 -17.595 1.00 0.00 C ATOM 698 O GLY A 49 16.918 22.907 -16.994 1.00 0.00 O ATOM 0 H GLY A 49 19.420 24.576 -16.861 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.814 23.607 -18.885 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.709 22.152 -18.496 1.00 0.00 H new ATOM 702 N ASN A 50 17.640 20.960 -17.859 1.00 0.00 N ATOM 703 CA ASN A 50 16.458 20.214 -17.447 1.00 0.00 C ATOM 704 C ASN A 50 16.772 19.304 -16.262 1.00 0.00 C ATOM 705 O ASN A 50 15.873 18.701 -15.674 1.00 0.00 O ATOM 706 CB ASN A 50 15.920 19.384 -18.614 1.00 0.00 C ATOM 707 CG ASN A 50 14.518 19.795 -19.017 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.333 20.595 -19.935 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.521 19.249 -18.331 1.00 0.00 N ATOM 0 H ASN A 50 18.337 20.406 -18.356 1.00 0.00 H new ATOM 0 HA ASN A 50 15.697 20.931 -17.139 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.587 19.490 -19.470 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.921 18.330 -18.338 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.555 19.488 -18.557 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.721 18.591 -17.578 1.00 0.00 H new ATOM 716 N SER A 51 18.053 19.209 -15.916 1.00 0.00 N ATOM 717 CA SER A 51 18.484 18.372 -14.802 1.00 0.00 C ATOM 718 C SER A 51 19.060 19.220 -13.673 1.00 0.00 C ATOM 719 O SER A 51 18.891 18.888 -12.500 1.00 0.00 O ATOM 720 CB SER A 51 19.524 17.356 -15.274 1.00 0.00 C ATOM 721 OG SER A 51 20.431 17.034 -14.234 1.00 0.00 O ATOM 0 H SER A 51 18.810 19.701 -16.391 1.00 0.00 H new ATOM 0 HA SER A 51 17.612 17.840 -14.422 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.023 16.451 -15.617 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.071 17.760 -16.126 1.00 0.00 H new ATOM 0 HG SER A 51 20.749 16.114 -14.350 1.00 0.00 H new ATOM 727 N ASN A 52 19.741 20.309 -14.054 1.00 0.00 N ATOM 728 CA ASN A 52 20.370 21.246 -13.119 1.00 0.00 C ATOM 729 C ASN A 52 21.891 21.169 -13.216 1.00 0.00 C ATOM 730 O ASN A 52 22.591 22.137 -12.925 1.00 0.00 O ATOM 731 CB ASN A 52 19.936 20.981 -11.684 1.00 0.00 C ATOM 732 CG ASN A 52 20.531 21.971 -10.703 1.00 0.00 C ATOM 733 OD1 ASN A 52 21.620 21.757 -10.171 1.00 0.00 O ATOM 734 ND2 ASN A 52 19.818 23.064 -10.458 1.00 0.00 N ATOM 0 H ASN A 52 19.871 20.565 -15.033 1.00 0.00 H new ATOM 0 HA ASN A 52 20.043 22.247 -13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.849 21.024 -11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.231 19.971 -11.400 1.00 0.00 H new ATOM 0 HD21 ASN A 52 20.169 23.766 -9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.920 23.201 -10.921 1.00 0.00 H new ATOM 741 N GLY A 53 22.394 20.010 -13.630 1.00 0.00 N ATOM 742 CA GLY A 53 23.829 19.831 -13.759 1.00 0.00 C ATOM 743 C GLY A 53 24.305 18.502 -13.203 1.00 0.00 C ATOM 744 O GLY A 53 24.693 18.412 -12.039 1.00 0.00 O ATOM 0 H GLY A 53 21.835 19.193 -13.878 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.107 19.901 -14.811 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.340 20.642 -13.240 1.00 0.00 H new ATOM 748 N GLU A 54 24.277 17.470 -14.040 1.00 0.00 N ATOM 749 CA GLU A 54 24.712 16.141 -13.629 1.00 0.00 C ATOM 750 C GLU A 54 25.515 15.469 -14.743 1.00 0.00 C ATOM 751 O GLU A 54 25.517 15.930 -15.885 1.00 0.00 O ATOM 752 CB GLU A 54 23.496 15.289 -13.222 1.00 0.00 C ATOM 753 CG GLU A 54 23.240 14.077 -14.109 1.00 0.00 C ATOM 754 CD GLU A 54 22.231 13.119 -13.508 1.00 0.00 C ATOM 755 OE1 GLU A 54 22.618 12.331 -12.618 1.00 0.00 O ATOM 756 OE2 GLU A 54 21.054 13.156 -13.923 1.00 0.00 O ATOM 0 H GLU A 54 23.958 17.529 -15.007 1.00 0.00 H new ATOM 0 HA GLU A 54 25.366 16.235 -12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.636 14.948 -12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 54 22.608 15.921 -13.229 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.882 14.413 -15.082 1.00 0.00 H new ATOM 0 HG3 GLU A 54 24.179 13.551 -14.279 1.00 0.00 H new ATOM 763 N PRO A 55 26.207 14.367 -14.420 1.00 0.00 N ATOM 764 CA PRO A 55 27.019 13.625 -15.388 1.00 0.00 C ATOM 765 C PRO A 55 26.229 13.239 -16.634 1.00 0.00 C ATOM 766 O PRO A 55 25.206 12.559 -16.549 1.00 0.00 O ATOM 767 CB PRO A 55 27.459 12.369 -14.620 1.00 0.00 C ATOM 768 CG PRO A 55 26.614 12.333 -13.389 1.00 0.00 C ATOM 769 CD PRO A 55 26.256 13.757 -13.086 1.00 0.00 C ATOM 0 HA PRO A 55 27.853 14.224 -15.753 1.00 0.00 H new ATOM 0 HB2 PRO A 55 27.314 11.471 -15.221 1.00 0.00 H new ATOM 0 HB3 PRO A 55 28.518 12.415 -14.367 1.00 0.00 H new ATOM 0 HG2 PRO A 55 25.719 11.732 -13.549 1.00 0.00 H new ATOM 0 HG3 PRO A 55 27.156 11.882 -12.558 1.00 0.00 H new ATOM 0 HD2 PRO A 55 25.299 13.833 -12.570 1.00 0.00 H new ATOM 0 HD3 PRO A 55 27.000 14.235 -12.449 1.00 0.00 H new ATOM 777 N CYS A 56 26.713 13.677 -17.793 1.00 0.00 N ATOM 778 CA CYS A 56 26.055 13.379 -19.061 1.00 0.00 C ATOM 779 C CYS A 56 26.137 11.890 -19.378 1.00 0.00 C ATOM 780 O CYS A 56 26.831 11.137 -18.695 1.00 0.00 O ATOM 781 CB CYS A 56 26.688 14.191 -20.191 1.00 0.00 C ATOM 782 SG CYS A 56 27.076 15.914 -19.742 1.00 0.00 S ATOM 0 H CYS A 56 27.559 14.240 -17.880 1.00 0.00 H new ATOM 0 HA CYS A 56 25.004 13.655 -18.972 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.604 13.695 -20.511 1.00 0.00 H new ATOM 0 HB3 CYS A 56 26.011 14.193 -21.046 1.00 0.00 H new ATOM 787 N VAL A 57 25.420 11.471 -20.414 1.00 0.00 N ATOM 788 CA VAL A 57 25.407 10.071 -20.817 1.00 0.00 C ATOM 789 C VAL A 57 25.677 9.918 -22.310 1.00 0.00 C ATOM 790 O VAL A 57 24.807 9.492 -23.070 1.00 0.00 O ATOM 791 CB VAL A 57 24.059 9.404 -20.481 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.954 9.949 -21.370 1.00 0.00 C ATOM 793 CG2 VAL A 57 24.164 7.892 -20.618 1.00 0.00 C ATOM 0 H VAL A 57 24.840 12.081 -20.990 1.00 0.00 H new ATOM 0 HA VAL A 57 26.202 9.577 -20.258 1.00 0.00 H new ATOM 0 HB VAL A 57 23.808 9.638 -19.446 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.011 9.465 -21.116 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.862 11.024 -21.218 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.195 9.749 -22.414 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.203 7.437 -20.377 1.00 0.00 H new ATOM 0 HG22 VAL A 57 24.439 7.638 -21.642 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.925 7.517 -19.934 1.00 0.00 H new ATOM 803 N LEU A 58 26.892 10.259 -22.729 1.00 0.00 N ATOM 804 CA LEU A 58 27.265 10.145 -24.134 1.00 0.00 C ATOM 805 C LEU A 58 28.455 9.207 -24.312 1.00 0.00 C ATOM 806 O LEU A 58 29.052 8.754 -23.335 1.00 0.00 O ATOM 807 CB LEU A 58 27.605 11.514 -24.734 1.00 0.00 C ATOM 808 CG LEU A 58 27.182 12.730 -23.907 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.957 12.793 -22.603 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.391 14.004 -24.708 1.00 0.00 C ATOM 0 H LEU A 58 27.630 10.614 -22.121 1.00 0.00 H new ATOM 0 HA LEU A 58 26.404 9.733 -24.660 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.683 11.563 -24.891 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.136 11.585 -25.715 1.00 0.00 H new ATOM 0 HG LEU A 58 26.123 12.632 -23.668 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.639 13.666 -22.033 1.00 0.00 H new ATOM 0 HD12 LEU A 58 27.766 11.891 -22.022 1.00 0.00 H new ATOM 0 HD13 LEU A 58 29.023 12.868 -22.817 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.087 14.863 -24.111 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.444 14.100 -24.971 1.00 0.00 H new ATOM 0 HD23 LEU A 58 26.792 13.964 -25.618 1.00 0.00 H new ATOM 822 N PRO A 59 28.813 8.902 -25.570 1.00 0.00 N ATOM 823 CA PRO A 59 28.116 9.427 -26.752 1.00 0.00 C ATOM 824 C PRO A 59 26.659 8.989 -26.820 1.00 0.00 C ATOM 825 O PRO A 59 26.352 7.802 -26.703 1.00 0.00 O ATOM 826 CB PRO A 59 28.892 8.827 -27.928 1.00 0.00 C ATOM 827 CG PRO A 59 30.212 8.440 -27.359 1.00 0.00 C ATOM 828 CD PRO A 59 29.929 8.023 -25.946 1.00 0.00 C ATOM 0 HA PRO A 59 28.090 10.517 -26.744 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.373 7.964 -28.344 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.007 9.550 -28.736 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.661 7.625 -27.927 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.913 9.274 -27.390 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.655 6.970 -25.881 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.795 8.168 -25.300 1.00 0.00 H new ATOM 836 N PHE A 60 25.763 9.950 -27.019 1.00 0.00 N ATOM 837 CA PHE A 60 24.339 9.649 -27.114 1.00 0.00 C ATOM 838 C PHE A 60 23.848 9.846 -28.542 1.00 0.00 C ATOM 839 O PHE A 60 24.617 10.221 -29.426 1.00 0.00 O ATOM 840 CB PHE A 60 23.534 10.532 -26.159 1.00 0.00 C ATOM 841 CG PHE A 60 23.897 11.985 -26.235 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.842 12.667 -27.440 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.296 12.671 -25.099 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.178 14.004 -27.510 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.633 14.008 -25.163 1.00 0.00 C ATOM 846 CZ PHE A 60 24.574 14.676 -26.371 1.00 0.00 C ATOM 0 H PHE A 60 25.996 10.938 -27.117 1.00 0.00 H new ATOM 0 HA PHE A 60 24.193 8.607 -26.831 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.473 10.419 -26.381 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.686 10.181 -25.138 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.533 12.147 -28.334 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.344 12.153 -24.152 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.131 14.524 -28.455 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.942 14.531 -24.270 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.837 15.722 -26.424 1.00 0.00 H new ATOM 856 N THR A 61 22.563 9.596 -28.765 1.00 0.00 N ATOM 857 CA THR A 61 21.980 9.754 -30.089 1.00 0.00 C ATOM 858 C THR A 61 20.811 10.731 -30.059 1.00 0.00 C ATOM 859 O THR A 61 19.881 10.578 -29.266 1.00 0.00 O ATOM 860 CB THR A 61 21.497 8.407 -30.658 1.00 0.00 C ATOM 861 OG1 THR A 61 22.145 7.327 -29.977 1.00 0.00 O ATOM 862 CG2 THR A 61 21.782 8.317 -32.150 1.00 0.00 C ATOM 0 H THR A 61 21.908 9.284 -28.048 1.00 0.00 H new ATOM 0 HA THR A 61 22.764 10.149 -30.735 1.00 0.00 H new ATOM 0 HB THR A 61 20.420 8.338 -30.505 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.831 6.474 -30.343 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.432 7.357 -32.530 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.264 9.123 -32.669 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.855 8.406 -32.322 1.00 0.00 H new ATOM 870 N TYR A 62 20.865 11.733 -30.927 1.00 0.00 N ATOM 871 CA TYR A 62 19.811 12.735 -31.001 1.00 0.00 C ATOM 872 C TYR A 62 19.564 13.159 -32.444 1.00 0.00 C ATOM 873 O TYR A 62 20.493 13.530 -33.160 1.00 0.00 O ATOM 874 CB TYR A 62 20.175 13.956 -30.157 1.00 0.00 C ATOM 875 CG TYR A 62 19.180 15.087 -30.276 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.941 15.015 -29.652 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.479 16.224 -31.014 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.027 16.045 -29.760 1.00 0.00 C ATOM 879 CE2 TYR A 62 18.571 17.260 -31.126 1.00 0.00 C ATOM 880 CZ TYR A 62 17.347 17.166 -30.497 1.00 0.00 C ATOM 881 OH TYR A 62 16.440 18.194 -30.608 1.00 0.00 O ATOM 0 H TYR A 62 21.628 11.873 -31.590 1.00 0.00 H new ATOM 0 HA TYR A 62 18.897 12.290 -30.608 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.250 13.656 -29.112 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.159 14.315 -30.457 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.688 14.139 -29.073 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.436 16.300 -31.508 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.067 15.973 -29.270 1.00 0.00 H new ATOM 0 HE2 TYR A 62 18.819 18.139 -31.703 1.00 0.00 H new ATOM 0 HH TYR A 62 15.885 18.229 -29.801 1.00 0.00 H new ATOM 891 N ASN A 63 18.305 13.098 -32.863 1.00 0.00 N ATOM 892 CA ASN A 63 17.933 13.475 -34.220 1.00 0.00 C ATOM 893 C ASN A 63 18.430 12.444 -35.231 1.00 0.00 C ATOM 894 O ASN A 63 18.254 12.613 -36.438 1.00 0.00 O ATOM 895 CB ASN A 63 18.497 14.855 -34.562 1.00 0.00 C ATOM 896 CG ASN A 63 17.442 15.940 -34.495 1.00 0.00 C ATOM 897 OD1 ASN A 63 16.244 15.660 -34.511 1.00 0.00 O ATOM 898 ND2 ASN A 63 17.885 17.188 -34.416 1.00 0.00 N ATOM 0 H ASN A 63 17.525 12.791 -32.282 1.00 0.00 H new ATOM 0 HA ASN A 63 16.845 13.511 -34.273 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.306 15.095 -33.873 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.927 14.831 -35.563 1.00 0.00 H new ATOM 0 HD21 ASN A 63 17.223 17.962 -34.366 1.00 0.00 H new ATOM 0 HD22 ASN A 63 18.888 17.373 -34.406 1.00 0.00 H new ATOM 905 N GLY A 64 19.046 11.376 -34.733 1.00 0.00 N ATOM 906 CA GLY A 64 19.550 10.337 -35.612 1.00 0.00 C ATOM 907 C GLY A 64 21.064 10.254 -35.617 1.00 0.00 C ATOM 908 O GLY A 64 21.635 9.268 -36.082 1.00 0.00 O ATOM 0 H GLY A 64 19.205 11.212 -33.739 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.139 9.376 -35.303 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.198 10.523 -36.627 1.00 0.00 H new ATOM 912 N ARG A 65 21.719 11.290 -35.102 1.00 0.00 N ATOM 913 CA ARG A 65 23.177 11.322 -35.057 1.00 0.00 C ATOM 914 C ARG A 65 23.690 11.021 -33.654 1.00 0.00 C ATOM 915 O ARG A 65 22.926 10.627 -32.774 1.00 0.00 O ATOM 916 CB ARG A 65 23.696 12.682 -35.524 1.00 0.00 C ATOM 917 CG ARG A 65 23.261 13.836 -34.637 1.00 0.00 C ATOM 918 CD ARG A 65 22.317 14.774 -35.370 1.00 0.00 C ATOM 919 NE ARG A 65 22.957 16.044 -35.703 1.00 0.00 N ATOM 920 CZ ARG A 65 22.587 16.807 -36.725 1.00 0.00 C ATOM 921 NH1 ARG A 65 21.582 16.434 -37.505 1.00 0.00 N ATOM 922 NH2 ARG A 65 23.222 17.946 -36.969 1.00 0.00 N ATOM 0 H ARG A 65 21.265 12.116 -34.711 1.00 0.00 H new ATOM 0 HA ARG A 65 23.549 10.550 -35.730 1.00 0.00 H new ATOM 0 HB2 ARG A 65 24.785 12.653 -35.560 1.00 0.00 H new ATOM 0 HB3 ARG A 65 23.348 12.865 -36.541 1.00 0.00 H new ATOM 0 HG2 ARG A 65 22.769 13.446 -33.746 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.138 14.389 -34.301 1.00 0.00 H new ATOM 0 HD2 ARG A 65 21.966 14.294 -36.284 1.00 0.00 H new ATOM 0 HD3 ARG A 65 21.439 14.961 -34.751 1.00 0.00 H new ATOM 0 HE ARG A 65 23.730 16.362 -35.119 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.091 15.559 -37.321 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.300 17.022 -38.289 1.00 0.00 H new ATOM 0 HH21 ARG A 65 23.996 18.237 -36.371 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.937 18.531 -37.754 1.00 0.00 H new ATOM 936 N THR A 66 24.991 11.207 -33.455 1.00 0.00 N ATOM 937 CA THR A 66 25.611 10.952 -32.159 1.00 0.00 C ATOM 938 C THR A 66 26.573 12.072 -31.775 1.00 0.00 C ATOM 939 O THR A 66 27.107 12.768 -32.639 1.00 0.00 O ATOM 940 CB THR A 66 26.373 9.613 -32.159 1.00 0.00 C ATOM 941 OG1 THR A 66 25.704 8.668 -33.004 1.00 0.00 O ATOM 942 CG2 THR A 66 26.481 9.052 -30.750 1.00 0.00 C ATOM 0 H THR A 66 25.636 11.533 -34.174 1.00 0.00 H new ATOM 0 HA THR A 66 24.805 10.906 -31.427 1.00 0.00 H new ATOM 0 HB THR A 66 27.378 9.793 -32.540 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.196 7.820 -33.000 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.023 8.107 -30.775 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.016 9.760 -30.117 1.00 0.00 H new ATOM 0 HG23 THR A 66 25.482 8.887 -30.347 1.00 0.00 H new ATOM 950 N PHE A 67 26.788 12.242 -30.474 1.00 0.00 N ATOM 951 CA PHE A 67 27.684 13.278 -29.976 1.00 0.00 C ATOM 952 C PHE A 67 28.435 12.802 -28.735 1.00 0.00 C ATOM 953 O PHE A 67 27.828 12.296 -27.788 1.00 0.00 O ATOM 954 CB PHE A 67 26.898 14.551 -29.652 1.00 0.00 C ATOM 955 CG PHE A 67 25.721 14.789 -30.557 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.684 13.871 -30.631 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.650 15.938 -31.331 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.600 14.095 -31.461 1.00 0.00 C ATOM 959 CE2 PHE A 67 24.569 16.166 -32.160 1.00 0.00 C ATOM 960 CZ PHE A 67 23.544 15.245 -32.225 1.00 0.00 C ATOM 0 H PHE A 67 26.353 11.675 -29.746 1.00 0.00 H new ATOM 0 HA PHE A 67 28.412 13.497 -30.757 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.546 14.496 -28.622 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.570 15.407 -29.714 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.723 12.972 -30.034 1.00 0.00 H new ATOM 0 HD2 PHE A 67 26.449 16.663 -31.285 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.799 13.372 -31.512 1.00 0.00 H new ATOM 0 HE2 PHE A 67 24.526 17.065 -32.757 1.00 0.00 H new ATOM 0 HZ PHE A 67 22.698 15.423 -32.873 1.00 0.00 H new ATOM 970 N TYR A 68 29.756 12.975 -28.746 1.00 0.00 N ATOM 971 CA TYR A 68 30.599 12.573 -27.622 1.00 0.00 C ATOM 972 C TYR A 68 30.743 13.719 -26.624 1.00 0.00 C ATOM 973 O TYR A 68 31.695 13.760 -25.844 1.00 0.00 O ATOM 974 CB TYR A 68 31.990 12.158 -28.116 1.00 0.00 C ATOM 975 CG TYR A 68 32.031 10.832 -28.847 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.948 10.387 -29.591 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.165 10.030 -28.797 1.00 0.00 C ATOM 978 CE1 TYR A 68 30.990 9.179 -30.263 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.215 8.822 -29.466 1.00 0.00 C ATOM 980 CZ TYR A 68 32.126 8.400 -30.198 1.00 0.00 C ATOM 981 OH TYR A 68 32.174 7.199 -30.867 1.00 0.00 O ATOM 0 H TYR A 68 30.267 13.392 -29.524 1.00 0.00 H new ATOM 0 HA TYR A 68 30.122 11.725 -27.131 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.372 12.935 -28.778 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.664 12.107 -27.261 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.057 10.994 -29.646 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.021 10.356 -28.226 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.137 8.847 -30.836 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.104 8.211 -29.416 1.00 0.00 H new ATOM 0 HH TYR A 68 33.045 6.776 -30.718 1.00 0.00 H new ATOM 991 N SER A 69 29.798 14.654 -26.661 1.00 0.00 N ATOM 992 CA SER A 69 29.823 15.809 -25.768 1.00 0.00 C ATOM 993 C SER A 69 28.615 16.707 -26.012 1.00 0.00 C ATOM 994 O SER A 69 27.824 16.466 -26.924 1.00 0.00 O ATOM 995 CB SER A 69 31.111 16.611 -25.968 1.00 0.00 C ATOM 996 OG SER A 69 31.998 15.947 -26.852 1.00 0.00 O ATOM 0 H SER A 69 29.004 14.635 -27.301 1.00 0.00 H new ATOM 0 HA SER A 69 29.786 15.443 -24.742 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.870 17.598 -26.364 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.600 16.764 -25.006 1.00 0.00 H new ATOM 0 HG SER A 69 32.494 15.258 -26.362 1.00 0.00 H new ATOM 1002 N CYS A 70 28.480 17.747 -25.193 1.00 0.00 N ATOM 1003 CA CYS A 70 27.370 18.682 -25.324 1.00 0.00 C ATOM 1004 C CYS A 70 27.218 19.138 -26.772 1.00 0.00 C ATOM 1005 O CYS A 70 28.089 18.890 -27.605 1.00 0.00 O ATOM 1006 CB CYS A 70 27.593 19.891 -24.414 1.00 0.00 C ATOM 1007 SG CYS A 70 28.172 19.468 -22.739 1.00 0.00 S ATOM 0 H CYS A 70 29.125 17.962 -24.433 1.00 0.00 H new ATOM 0 HA CYS A 70 26.453 18.174 -25.024 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.321 20.554 -24.881 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.660 20.448 -24.334 1.00 0.00 H new ATOM 1012 N THR A 71 26.105 19.803 -27.064 1.00 0.00 N ATOM 1013 CA THR A 71 25.842 20.291 -28.414 1.00 0.00 C ATOM 1014 C THR A 71 24.736 21.341 -28.418 1.00 0.00 C ATOM 1015 O THR A 71 24.141 21.632 -27.381 1.00 0.00 O ATOM 1016 CB THR A 71 25.446 19.141 -29.359 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.419 19.607 -30.712 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.083 18.581 -28.985 1.00 0.00 C ATOM 0 H THR A 71 25.373 20.016 -26.387 1.00 0.00 H new ATOM 0 HA THR A 71 26.767 20.744 -28.770 1.00 0.00 H new ATOM 0 HB THR A 71 26.188 18.348 -29.262 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.470 18.842 -31.323 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.824 17.770 -29.666 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.113 18.202 -27.964 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.334 19.369 -29.057 1.00 0.00 H new ATOM 1026 N THR A 72 24.469 21.906 -29.589 1.00 0.00 N ATOM 1027 CA THR A 72 23.436 22.926 -29.727 1.00 0.00 C ATOM 1028 C THR A 72 22.528 22.631 -30.918 1.00 0.00 C ATOM 1029 O THR A 72 22.040 23.546 -31.581 1.00 0.00 O ATOM 1030 CB THR A 72 24.051 24.327 -29.901 1.00 0.00 C ATOM 1031 OG1 THR A 72 25.093 24.289 -30.884 1.00 0.00 O ATOM 1032 CG2 THR A 72 24.614 24.837 -28.582 1.00 0.00 C ATOM 0 H THR A 72 24.953 21.676 -30.457 1.00 0.00 H new ATOM 0 HA THR A 72 22.847 22.906 -28.810 1.00 0.00 H new ATOM 0 HB THR A 72 23.264 25.005 -30.232 1.00 0.00 H new ATOM 0 HG1 THR A 72 25.477 25.185 -30.989 1.00 0.00 H new ATOM 0 HG21 THR A 72 25.043 25.828 -28.729 1.00 0.00 H new ATOM 0 HG22 THR A 72 23.815 24.893 -27.843 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.388 24.155 -28.229 1.00 0.00 H new ATOM 1040 N GLU A 73 22.306 21.348 -31.184 1.00 0.00 N ATOM 1041 CA GLU A 73 21.459 20.930 -32.297 1.00 0.00 C ATOM 1042 C GLU A 73 19.998 20.829 -31.868 1.00 0.00 C ATOM 1043 O GLU A 73 19.155 20.334 -32.617 1.00 0.00 O ATOM 1044 CB GLU A 73 21.933 19.583 -32.842 1.00 0.00 C ATOM 1045 CG GLU A 73 23.218 19.672 -33.647 1.00 0.00 C ATOM 1046 CD GLU A 73 23.257 20.893 -34.544 1.00 0.00 C ATOM 1047 OE1 GLU A 73 22.442 20.963 -35.488 1.00 0.00 O ATOM 1048 OE2 GLU A 73 24.103 21.781 -34.303 1.00 0.00 O ATOM 0 H GLU A 73 22.701 20.578 -30.644 1.00 0.00 H new ATOM 0 HA GLU A 73 21.535 21.684 -33.080 1.00 0.00 H new ATOM 0 HB2 GLU A 73 22.082 18.896 -32.009 1.00 0.00 H new ATOM 0 HB3 GLU A 73 21.149 19.158 -33.469 1.00 0.00 H new ATOM 0 HG2 GLU A 73 24.069 19.698 -32.966 1.00 0.00 H new ATOM 0 HG3 GLU A 73 23.325 18.774 -34.256 1.00 0.00 H new ATOM 1055 N GLY A 74 19.707 21.296 -30.660 1.00 0.00 N ATOM 1056 CA GLY A 74 18.347 21.245 -30.154 1.00 0.00 C ATOM 1057 C GLY A 74 17.793 22.619 -29.834 1.00 0.00 C ATOM 1058 O GLY A 74 16.662 22.742 -29.363 1.00 0.00 O ATOM 0 H GLY A 74 20.387 21.709 -30.022 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.707 20.762 -30.892 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.320 20.628 -29.256 1.00 0.00 H new ATOM 1062 N ARG A 75 18.588 23.652 -30.088 1.00 0.00 N ATOM 1063 CA ARG A 75 18.165 25.023 -29.822 1.00 0.00 C ATOM 1064 C ARG A 75 18.526 25.938 -30.986 1.00 0.00 C ATOM 1065 O ARG A 75 19.126 25.504 -31.969 1.00 0.00 O ATOM 1066 CB ARG A 75 18.812 25.539 -28.534 1.00 0.00 C ATOM 1067 CG ARG A 75 20.303 25.259 -28.450 1.00 0.00 C ATOM 1068 CD ARG A 75 20.619 24.198 -27.405 1.00 0.00 C ATOM 1069 NE ARG A 75 19.602 23.148 -27.356 1.00 0.00 N ATOM 1070 CZ ARG A 75 18.609 23.110 -26.470 1.00 0.00 C ATOM 1071 NH1 ARG A 75 18.470 24.075 -25.569 1.00 0.00 N ATOM 1072 NH2 ARG A 75 17.744 22.106 -26.490 1.00 0.00 N ATOM 0 H ARG A 75 19.527 23.567 -30.477 1.00 0.00 H new ATOM 0 HA ARG A 75 17.082 25.025 -29.702 1.00 0.00 H new ATOM 0 HB2 ARG A 75 18.648 26.614 -28.460 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.316 25.081 -27.679 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.667 24.931 -29.424 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.833 26.180 -28.206 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.589 23.752 -27.625 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.700 24.669 -26.425 1.00 0.00 H new ATOM 0 HE ARG A 75 19.657 22.397 -28.044 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.127 24.855 -25.551 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.706 24.037 -24.894 1.00 0.00 H new ATOM 0 HH21 ARG A 75 17.840 21.364 -27.183 1.00 0.00 H new ATOM 0 HH22 ARG A 75 16.983 22.075 -25.812 1.00 0.00 H new ATOM 1086 N GLN A 76 18.158 27.209 -30.866 1.00 0.00 N ATOM 1087 CA GLN A 76 18.443 28.189 -31.907 1.00 0.00 C ATOM 1088 C GLN A 76 19.232 29.368 -31.343 1.00 0.00 C ATOM 1089 O GLN A 76 19.541 30.319 -32.061 1.00 0.00 O ATOM 1090 CB GLN A 76 17.142 28.685 -32.537 1.00 0.00 C ATOM 1091 CG GLN A 76 16.353 27.592 -33.237 1.00 0.00 C ATOM 1092 CD GLN A 76 15.805 28.036 -34.579 1.00 0.00 C ATOM 1093 OE1 GLN A 76 16.293 27.622 -35.630 1.00 0.00 O ATOM 1094 NE2 GLN A 76 14.786 28.886 -34.548 1.00 0.00 N ATOM 0 H GLN A 76 17.662 27.585 -30.058 1.00 0.00 H new ATOM 0 HA GLN A 76 19.048 27.704 -32.673 1.00 0.00 H new ATOM 0 HB2 GLN A 76 16.519 29.132 -31.762 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.372 29.473 -33.255 1.00 0.00 H new ATOM 0 HG2 GLN A 76 16.994 26.722 -33.380 1.00 0.00 H new ATOM 0 HG3 GLN A 76 15.528 27.279 -32.598 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.413 29.203 -33.653 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.376 29.222 -35.419 1.00 0.00 H new ATOM 1103 N ASP A 77 19.556 29.298 -30.055 1.00 0.00 N ATOM 1104 CA ASP A 77 20.309 30.360 -29.399 1.00 0.00 C ATOM 1105 C ASP A 77 21.803 30.067 -29.434 1.00 0.00 C ATOM 1106 O ASP A 77 22.588 30.847 -29.975 1.00 0.00 O ATOM 1107 CB ASP A 77 19.842 30.524 -27.952 1.00 0.00 C ATOM 1108 CG ASP A 77 19.482 31.958 -27.620 1.00 0.00 C ATOM 1109 OD1 ASP A 77 20.256 32.866 -27.990 1.00 0.00 O ATOM 1110 OD2 ASP A 77 18.426 32.174 -26.989 1.00 0.00 O ATOM 0 H ASP A 77 19.309 28.518 -29.446 1.00 0.00 H new ATOM 0 HA ASP A 77 20.127 31.289 -29.939 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.976 29.885 -27.778 1.00 0.00 H new ATOM 0 HB3 ASP A 77 20.629 30.185 -27.278 1.00 0.00 H new ATOM 1115 N GLY A 78 22.189 28.935 -28.859 1.00 0.00 N ATOM 1116 CA GLY A 78 23.589 28.554 -28.839 1.00 0.00 C ATOM 1117 C GLY A 78 24.048 28.039 -27.488 1.00 0.00 C ATOM 1118 O GLY A 78 25.210 28.203 -27.120 1.00 0.00 O ATOM 0 H GLY A 78 21.558 28.274 -28.406 1.00 0.00 H new ATOM 0 HA2 GLY A 78 23.760 27.784 -29.592 1.00 0.00 H new ATOM 0 HA3 GLY A 78 24.197 29.414 -29.119 1.00 0.00 H new ATOM 1122 N HIS A 79 23.140 27.412 -26.746 1.00 0.00 N ATOM 1123 CA HIS A 79 23.473 26.870 -25.433 1.00 0.00 C ATOM 1124 C HIS A 79 23.739 25.371 -25.517 1.00 0.00 C ATOM 1125 O HIS A 79 22.870 24.599 -25.923 1.00 0.00 O ATOM 1126 CB HIS A 79 22.346 27.143 -24.437 1.00 0.00 C ATOM 1127 CG HIS A 79 21.630 28.436 -24.676 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.274 28.591 -24.485 1.00 0.00 N ATOM 1129 CD2 HIS A 79 22.090 29.640 -25.092 1.00 0.00 C ATOM 1130 CE1 HIS A 79 19.929 29.833 -24.774 1.00 0.00 C ATOM 1131 NE2 HIS A 79 21.014 30.490 -25.144 1.00 0.00 N ATOM 0 H HIS A 79 22.171 27.267 -27.030 1.00 0.00 H new ATOM 0 HA HIS A 79 24.379 27.366 -25.085 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.626 26.326 -24.484 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.758 27.148 -23.428 1.00 0.00 H new ATOM 0 HD2 HIS A 79 23.113 29.885 -25.337 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.931 30.241 -24.718 1.00 0.00 H new ATOM 0 HE2 HIS A 79 21.047 31.471 -25.423 1.00 0.00 H new ATOM 1140 N LEU A 80 24.944 24.966 -25.131 1.00 0.00 N ATOM 1141 CA LEU A 80 25.323 23.559 -25.163 1.00 0.00 C ATOM 1142 C LEU A 80 24.514 22.757 -24.150 1.00 0.00 C ATOM 1143 O LEU A 80 24.229 23.233 -23.051 1.00 0.00 O ATOM 1144 CB LEU A 80 26.818 23.404 -24.877 1.00 0.00 C ATOM 1145 CG LEU A 80 27.723 23.468 -26.109 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.495 24.762 -26.875 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.183 23.338 -25.703 1.00 0.00 C ATOM 0 H LEU A 80 25.675 25.592 -24.792 1.00 0.00 H new ATOM 0 HA LEU A 80 25.110 23.173 -26.160 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.122 24.185 -24.181 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.979 22.450 -24.376 1.00 0.00 H new ATOM 0 HG LEU A 80 27.471 22.634 -26.764 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.148 24.788 -27.747 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.455 24.815 -27.198 1.00 0.00 H new ATOM 0 HD13 LEU A 80 27.718 25.611 -26.229 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.813 23.385 -26.591 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.447 24.152 -25.027 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.337 22.384 -25.199 1.00 0.00 H new ATOM 1159 N TRP A 81 24.144 21.537 -24.526 1.00 0.00 N ATOM 1160 CA TRP A 81 23.364 20.673 -23.648 1.00 0.00 C ATOM 1161 C TRP A 81 23.753 19.209 -23.835 1.00 0.00 C ATOM 1162 O TRP A 81 24.070 18.775 -24.943 1.00 0.00 O ATOM 1163 CB TRP A 81 21.870 20.852 -23.918 1.00 0.00 C ATOM 1164 CG TRP A 81 21.483 20.549 -25.332 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.502 21.413 -26.389 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.020 19.295 -25.847 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.079 20.774 -27.528 1.00 0.00 N ATOM 1168 CE2 TRP A 81 20.779 19.473 -27.222 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.789 18.039 -25.279 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.316 18.442 -28.036 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.329 17.017 -26.088 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.098 17.224 -27.454 1.00 0.00 C ATOM 0 H TRP A 81 24.371 21.125 -25.431 1.00 0.00 H new ATOM 0 HA TRP A 81 23.578 20.958 -22.618 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.306 20.203 -23.247 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.586 21.878 -23.683 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.806 22.448 -26.337 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.001 21.199 -28.452 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.967 17.870 -24.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.136 18.599 -29.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.145 16.043 -25.660 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.740 16.405 -28.060 1.00 0.00 H new ATOM 1183 N CYS A 82 23.720 18.454 -22.743 1.00 0.00 N ATOM 1184 CA CYS A 82 24.061 17.036 -22.776 1.00 0.00 C ATOM 1185 C CYS A 82 23.001 16.210 -22.057 1.00 0.00 C ATOM 1186 O CYS A 82 22.315 16.706 -21.164 1.00 0.00 O ATOM 1187 CB CYS A 82 25.429 16.804 -22.131 1.00 0.00 C ATOM 1188 SG CYS A 82 25.426 16.949 -20.315 1.00 0.00 S ATOM 0 H CYS A 82 23.460 18.802 -21.820 1.00 0.00 H new ATOM 0 HA CYS A 82 24.101 16.719 -23.818 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.785 15.811 -22.405 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.139 17.522 -22.541 1.00 0.00 H new ATOM 1193 N SER A 83 22.871 14.948 -22.452 1.00 0.00 N ATOM 1194 CA SER A 83 21.891 14.056 -21.843 1.00 0.00 C ATOM 1195 C SER A 83 22.444 13.436 -20.565 1.00 0.00 C ATOM 1196 O SER A 83 23.628 13.108 -20.486 1.00 0.00 O ATOM 1197 CB SER A 83 21.488 12.955 -22.826 1.00 0.00 C ATOM 1198 OG SER A 83 21.021 11.805 -22.142 1.00 0.00 O ATOM 0 H SER A 83 23.431 14.520 -23.190 1.00 0.00 H new ATOM 0 HA SER A 83 21.009 14.644 -21.590 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.710 13.326 -23.493 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.342 12.689 -23.449 1.00 0.00 H new ATOM 0 HG SER A 83 20.823 11.097 -22.790 1.00 0.00 H new ATOM 1204 N THR A 84 21.581 13.273 -19.570 1.00 0.00 N ATOM 1205 CA THR A 84 21.988 12.687 -18.300 1.00 0.00 C ATOM 1206 C THR A 84 21.552 11.227 -18.207 1.00 0.00 C ATOM 1207 O THR A 84 21.932 10.513 -17.280 1.00 0.00 O ATOM 1208 CB THR A 84 21.409 13.470 -17.108 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.979 13.443 -17.150 1.00 0.00 O ATOM 1210 CG2 THR A 84 21.891 14.913 -17.127 1.00 0.00 C ATOM 0 H THR A 84 20.597 13.538 -19.618 1.00 0.00 H new ATOM 0 HA THR A 84 23.076 12.740 -18.258 1.00 0.00 H new ATOM 0 HB THR A 84 21.754 12.996 -16.189 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.669 13.851 -17.985 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.470 15.448 -16.276 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.979 14.934 -17.067 1.00 0.00 H new ATOM 0 HG23 THR A 84 21.570 15.392 -18.052 1.00 0.00 H new ATOM 1218 N THR A 85 20.760 10.789 -19.182 1.00 0.00 N ATOM 1219 CA THR A 85 20.279 9.412 -19.222 1.00 0.00 C ATOM 1220 C THR A 85 20.419 8.831 -20.628 1.00 0.00 C ATOM 1221 O THR A 85 20.028 9.459 -21.612 1.00 0.00 O ATOM 1222 CB THR A 85 18.808 9.325 -18.749 1.00 0.00 C ATOM 1223 OG1 THR A 85 18.768 9.153 -17.329 1.00 0.00 O ATOM 1224 CG2 THR A 85 18.059 8.175 -19.412 1.00 0.00 C ATOM 0 H THR A 85 20.437 11.369 -19.956 1.00 0.00 H new ATOM 0 HA THR A 85 20.893 8.823 -18.540 1.00 0.00 H new ATOM 0 HB THR A 85 18.318 10.256 -19.035 1.00 0.00 H new ATOM 0 HG1 THR A 85 18.312 8.313 -17.114 1.00 0.00 H new ATOM 0 HG21 THR A 85 17.031 8.153 -19.050 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.060 8.315 -20.493 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.550 7.233 -19.168 1.00 0.00 H new ATOM 1232 N SER A 86 20.981 7.627 -20.714 1.00 0.00 N ATOM 1233 CA SER A 86 21.172 6.963 -21.999 1.00 0.00 C ATOM 1234 C SER A 86 19.936 7.120 -22.876 1.00 0.00 C ATOM 1235 O SER A 86 20.038 7.451 -24.057 1.00 0.00 O ATOM 1236 CB SER A 86 21.479 5.478 -21.792 1.00 0.00 C ATOM 1237 OG SER A 86 22.214 5.269 -20.599 1.00 0.00 O ATOM 0 H SER A 86 21.311 7.093 -19.910 1.00 0.00 H new ATOM 0 HA SER A 86 22.018 7.433 -22.501 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.548 4.913 -21.752 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.045 5.099 -22.643 1.00 0.00 H new ATOM 0 HG SER A 86 22.395 4.312 -20.490 1.00 0.00 H new ATOM 1243 N ASN A 87 18.770 6.883 -22.287 1.00 0.00 N ATOM 1244 CA ASN A 87 17.512 7.000 -23.012 1.00 0.00 C ATOM 1245 C ASN A 87 16.930 8.401 -22.854 1.00 0.00 C ATOM 1246 O ASN A 87 16.028 8.621 -22.046 1.00 0.00 O ATOM 1247 CB ASN A 87 16.511 5.960 -22.508 1.00 0.00 C ATOM 1248 CG ASN A 87 16.036 5.032 -23.609 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.372 5.214 -24.779 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.251 4.028 -23.238 1.00 0.00 N ATOM 0 H ASN A 87 18.670 6.609 -21.310 1.00 0.00 H new ATOM 0 HA ASN A 87 17.708 6.821 -24.069 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.972 5.372 -21.714 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.652 6.469 -22.070 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.901 3.370 -23.934 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.997 3.915 -22.257 1.00 0.00 H new ATOM 1257 N TYR A 88 17.451 9.345 -23.631 1.00 0.00 N ATOM 1258 CA TYR A 88 16.980 10.721 -23.575 1.00 0.00 C ATOM 1259 C TYR A 88 15.627 10.848 -24.259 1.00 0.00 C ATOM 1260 O TYR A 88 14.859 11.769 -23.978 1.00 0.00 O ATOM 1261 CB TYR A 88 17.991 11.658 -24.237 1.00 0.00 C ATOM 1262 CG TYR A 88 17.451 13.046 -24.496 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.719 13.324 -25.645 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.671 14.078 -23.592 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.224 14.591 -25.885 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.178 15.347 -23.825 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.455 15.599 -24.973 1.00 0.00 C ATOM 1268 OH TYR A 88 15.963 16.862 -25.209 1.00 0.00 O ATOM 0 H TYR A 88 18.198 9.181 -24.305 1.00 0.00 H new ATOM 0 HA TYR A 88 16.872 11.004 -22.528 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.874 11.733 -23.602 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.314 11.221 -25.182 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.535 12.537 -26.361 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.237 13.885 -22.693 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.659 14.791 -26.783 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.358 16.138 -23.112 1.00 0.00 H new ATOM 0 HH TYR A 88 16.213 17.454 -24.469 1.00 0.00 H new ATOM 1278 N GLU A 89 15.341 9.913 -25.158 1.00 0.00 N ATOM 1279 CA GLU A 89 14.080 9.915 -25.884 1.00 0.00 C ATOM 1280 C GLU A 89 12.944 9.429 -24.990 1.00 0.00 C ATOM 1281 O GLU A 89 11.769 9.579 -25.324 1.00 0.00 O ATOM 1282 CB GLU A 89 14.182 9.033 -27.130 1.00 0.00 C ATOM 1283 CG GLU A 89 14.999 9.657 -28.250 1.00 0.00 C ATOM 1284 CD GLU A 89 15.430 8.643 -29.293 1.00 0.00 C ATOM 1285 OE1 GLU A 89 14.719 7.632 -29.468 1.00 0.00 O ATOM 1286 OE2 GLU A 89 16.480 8.861 -29.933 1.00 0.00 O ATOM 0 H GLU A 89 15.966 9.145 -25.400 1.00 0.00 H new ATOM 0 HA GLU A 89 13.865 10.938 -26.193 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.629 8.078 -26.854 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.178 8.821 -27.498 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.412 10.440 -28.730 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.882 10.136 -27.827 1.00 0.00 H new ATOM 1293 N GLN A 90 13.305 8.847 -23.851 1.00 0.00 N ATOM 1294 CA GLN A 90 12.320 8.340 -22.904 1.00 0.00 C ATOM 1295 C GLN A 90 12.132 9.318 -21.749 1.00 0.00 C ATOM 1296 O GLN A 90 11.011 9.717 -21.433 1.00 0.00 O ATOM 1297 CB GLN A 90 12.756 6.972 -22.371 1.00 0.00 C ATOM 1298 CG GLN A 90 12.188 6.637 -21.000 1.00 0.00 C ATOM 1299 CD GLN A 90 10.674 6.724 -20.961 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.108 7.612 -20.323 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.010 5.800 -21.645 1.00 0.00 N ATOM 0 H GLN A 90 14.274 8.715 -23.562 1.00 0.00 H new ATOM 0 HA GLN A 90 11.367 8.231 -23.422 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.449 6.202 -23.079 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.844 6.943 -22.320 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.498 5.631 -20.718 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.607 7.319 -20.260 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.520 5.082 -22.160 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.990 5.808 -21.656 1.00 0.00 H new ATOM 1310 N ASP A 91 13.239 9.701 -21.128 1.00 0.00 N ATOM 1311 CA ASP A 91 13.206 10.635 -20.009 1.00 0.00 C ATOM 1312 C ASP A 91 13.214 12.075 -20.508 1.00 0.00 C ATOM 1313 O ASP A 91 12.440 12.911 -20.041 1.00 0.00 O ATOM 1314 CB ASP A 91 14.402 10.397 -19.085 1.00 0.00 C ATOM 1315 CG ASP A 91 13.985 10.175 -17.644 1.00 0.00 C ATOM 1316 OD1 ASP A 91 12.772 10.009 -17.396 1.00 0.00 O ATOM 1317 OD2 ASP A 91 14.870 10.165 -16.763 1.00 0.00 O ATOM 0 H ASP A 91 14.173 9.379 -21.380 1.00 0.00 H new ATOM 0 HA ASP A 91 12.285 10.466 -19.451 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.962 9.530 -19.436 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.074 11.253 -19.138 1.00 0.00 H new ATOM 1322 N GLN A 92 14.091 12.355 -21.466 1.00 0.00 N ATOM 1323 CA GLN A 92 14.201 13.691 -22.038 1.00 0.00 C ATOM 1324 C GLN A 92 14.828 14.666 -21.046 1.00 0.00 C ATOM 1325 O GLN A 92 14.663 15.880 -21.166 1.00 0.00 O ATOM 1326 CB GLN A 92 12.824 14.199 -22.467 1.00 0.00 C ATOM 1327 CG GLN A 92 12.820 14.861 -23.835 1.00 0.00 C ATOM 1328 CD GLN A 92 12.828 13.855 -24.968 1.00 0.00 C ATOM 1329 OE1 GLN A 92 11.665 13.289 -25.266 1.00 0.00 O flip ATOM 1330 NE2 GLN A 92 13.869 13.589 -25.570 1.00 0.00 N flip ATOM 0 H GLN A 92 14.737 11.673 -21.863 1.00 0.00 H new ATOM 0 HA GLN A 92 14.849 13.628 -22.912 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.124 13.364 -22.475 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.462 14.912 -21.726 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.939 15.497 -23.925 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.692 15.510 -23.923 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.741 14.048 -25.308 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.859 12.910 -26.331 1.00 0.00 H new ATOM 1339 N LYS A 93 15.550 14.129 -20.068 1.00 0.00 N ATOM 1340 CA LYS A 93 16.201 14.956 -19.061 1.00 0.00 C ATOM 1341 C LYS A 93 17.673 15.171 -19.415 1.00 0.00 C ATOM 1342 O LYS A 93 18.476 14.236 -19.390 1.00 0.00 O ATOM 1343 CB LYS A 93 16.036 14.320 -17.668 1.00 0.00 C ATOM 1344 CG LYS A 93 17.319 13.792 -17.036 1.00 0.00 C ATOM 1345 CD LYS A 93 17.621 12.375 -17.492 1.00 0.00 C ATOM 1346 CE LYS A 93 18.363 11.597 -16.419 1.00 0.00 C ATOM 1347 NZ LYS A 93 17.513 10.533 -15.817 1.00 0.00 N ATOM 0 H LYS A 93 15.698 13.127 -19.952 1.00 0.00 H new ATOM 0 HA LYS A 93 15.724 15.936 -19.040 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.599 15.061 -16.998 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.323 13.499 -17.744 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.151 14.445 -17.299 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.227 13.814 -15.950 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.690 11.863 -17.737 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.219 12.403 -18.403 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.257 11.147 -16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.695 12.281 -15.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.537 10.615 -14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.534 10.641 -16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.874 9.599 -16.099 1.00 0.00 H new ATOM 1361 N TYR A 94 18.016 16.408 -19.758 1.00 0.00 N ATOM 1362 CA TYR A 94 19.383 16.747 -20.131 1.00 0.00 C ATOM 1363 C TYR A 94 19.963 17.814 -19.209 1.00 0.00 C ATOM 1364 O TYR A 94 19.411 18.101 -18.146 1.00 0.00 O ATOM 1365 CB TYR A 94 19.423 17.238 -21.579 1.00 0.00 C ATOM 1366 CG TYR A 94 18.741 18.573 -21.784 1.00 0.00 C ATOM 1367 CD1 TYR A 94 19.436 19.764 -21.616 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.400 18.640 -22.144 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.815 20.985 -21.803 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.773 19.857 -22.333 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.485 21.026 -22.161 1.00 0.00 C ATOM 1372 OH TYR A 94 16.862 22.239 -22.348 1.00 0.00 O ATOM 0 H TYR A 94 17.365 17.193 -19.785 1.00 0.00 H new ATOM 0 HA TYR A 94 19.990 15.847 -20.033 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.462 17.317 -21.899 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.948 16.495 -22.219 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.478 19.736 -21.335 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.839 17.727 -22.278 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.370 21.902 -21.669 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.731 19.893 -22.614 1.00 0.00 H new ATOM 0 HH TYR A 94 17.513 22.962 -22.232 1.00 0.00 H new ATOM 1382 N SER A 95 21.080 18.397 -19.630 1.00 0.00 N ATOM 1383 CA SER A 95 21.746 19.437 -18.856 1.00 0.00 C ATOM 1384 C SER A 95 22.601 20.315 -19.765 1.00 0.00 C ATOM 1385 O SER A 95 23.310 19.815 -20.638 1.00 0.00 O ATOM 1386 CB SER A 95 22.616 18.811 -17.763 1.00 0.00 C ATOM 1387 OG SER A 95 22.551 17.396 -17.806 1.00 0.00 O ATOM 0 H SER A 95 21.545 18.165 -20.508 1.00 0.00 H new ATOM 0 HA SER A 95 20.983 20.058 -18.387 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.650 19.134 -17.887 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.287 19.164 -16.786 1.00 0.00 H new ATOM 0 HG SER A 95 23.397 17.020 -17.486 1.00 0.00 H new ATOM 1393 N PHE A 96 22.522 21.624 -19.560 1.00 0.00 N ATOM 1394 CA PHE A 96 23.284 22.569 -20.368 1.00 0.00 C ATOM 1395 C PHE A 96 24.777 22.469 -20.075 1.00 0.00 C ATOM 1396 O PHE A 96 25.199 21.721 -19.193 1.00 0.00 O ATOM 1397 CB PHE A 96 22.802 23.997 -20.114 1.00 0.00 C ATOM 1398 CG PHE A 96 21.487 24.311 -20.766 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.304 24.100 -22.123 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.435 24.814 -20.020 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.093 24.387 -22.725 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.222 25.104 -20.615 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.051 24.890 -21.969 1.00 0.00 C ATOM 0 H PHE A 96 21.939 22.055 -18.843 1.00 0.00 H new ATOM 0 HA PHE A 96 23.122 22.316 -21.416 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.713 24.156 -19.039 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.555 24.696 -20.478 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.116 23.707 -22.717 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.564 24.982 -18.961 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.961 24.219 -23.784 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.409 25.497 -20.023 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.104 25.116 -22.436 1.00 0.00 H new ATOM 1413 N CYS A 97 25.568 23.231 -20.822 1.00 0.00 N ATOM 1414 CA CYS A 97 27.016 23.237 -20.649 1.00 0.00 C ATOM 1415 C CYS A 97 27.581 24.633 -20.891 1.00 0.00 C ATOM 1416 O CYS A 97 27.047 25.399 -21.694 1.00 0.00 O ATOM 1417 CB CYS A 97 27.671 22.238 -21.603 1.00 0.00 C ATOM 1418 SG CYS A 97 26.968 20.558 -21.520 1.00 0.00 S ATOM 0 H CYS A 97 25.230 23.854 -21.555 1.00 0.00 H new ATOM 0 HA CYS A 97 27.237 22.944 -19.623 1.00 0.00 H new ATOM 0 HB2 CYS A 97 27.576 22.610 -22.623 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.737 22.186 -21.381 1.00 0.00 H new ATOM 1423 N THR A 98 28.665 24.957 -20.194 1.00 0.00 N ATOM 1424 CA THR A 98 29.303 26.256 -20.332 1.00 0.00 C ATOM 1425 C THR A 98 29.907 26.426 -21.722 1.00 0.00 C ATOM 1426 O THR A 98 29.234 26.875 -22.650 1.00 0.00 O ATOM 1427 CB THR A 98 30.406 26.443 -19.276 1.00 0.00 C ATOM 1428 OG1 THR A 98 31.338 25.357 -19.344 1.00 0.00 O ATOM 1429 CG2 THR A 98 29.814 26.519 -17.878 1.00 0.00 C ATOM 0 H THR A 98 29.119 24.334 -19.526 1.00 0.00 H new ATOM 0 HA THR A 98 28.532 27.012 -20.183 1.00 0.00 H new ATOM 0 HB THR A 98 30.921 27.380 -19.486 1.00 0.00 H new ATOM 0 HG1 THR A 98 32.252 25.709 -19.322 1.00 0.00 H new ATOM 0 HG21 THR A 98 30.615 26.651 -17.150 1.00 0.00 H new ATOM 0 HG22 THR A 98 29.127 27.363 -17.819 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.275 25.597 -17.661 1.00 0.00 H new ATOM 1437 N ASP A 99 31.179 26.065 -21.860 1.00 0.00 N ATOM 1438 CA ASP A 99 31.871 26.177 -23.139 1.00 0.00 C ATOM 1439 C ASP A 99 32.422 27.586 -23.343 1.00 0.00 C ATOM 1440 O ASP A 99 33.606 27.763 -23.629 1.00 0.00 O ATOM 1441 CB ASP A 99 30.926 25.816 -24.287 1.00 0.00 C ATOM 1442 CG ASP A 99 31.555 24.848 -25.269 1.00 0.00 C ATOM 1443 OD1 ASP A 99 32.116 23.827 -24.819 1.00 0.00 O ATOM 1444 OD2 ASP A 99 31.487 25.110 -26.488 1.00 0.00 O ATOM 0 H ASP A 99 31.751 25.693 -21.102 1.00 0.00 H new ATOM 0 HA ASP A 99 32.708 25.479 -23.131 1.00 0.00 H new ATOM 0 HB2 ASP A 99 30.015 25.376 -23.880 1.00 0.00 H new ATOM 0 HB3 ASP A 99 30.634 26.725 -24.813 1.00 0.00 H new ATOM 1449 N HIS A 100 31.556 28.582 -23.194 1.00 0.00 N ATOM 1450 CA HIS A 100 31.957 29.975 -23.364 1.00 0.00 C ATOM 1451 C HIS A 100 31.571 30.803 -22.143 1.00 0.00 C ATOM 1452 O HIS A 100 31.125 30.263 -21.130 1.00 0.00 O ATOM 1453 CB HIS A 100 31.310 30.565 -24.618 1.00 0.00 C ATOM 1454 CG HIS A 100 31.539 29.746 -25.850 1.00 0.00 C ATOM 1455 ND1 HIS A 100 32.787 29.312 -26.244 1.00 0.00 N ATOM 1456 CD2 HIS A 100 30.669 29.277 -26.775 1.00 0.00 C ATOM 1457 CE1 HIS A 100 32.674 28.613 -27.360 1.00 0.00 C ATOM 1458 NE2 HIS A 100 31.401 28.576 -27.702 1.00 0.00 N ATOM 0 H HIS A 100 30.573 28.452 -22.956 1.00 0.00 H new ATOM 0 HA HIS A 100 33.041 30.004 -23.475 1.00 0.00 H new ATOM 0 HB2 HIS A 100 30.237 30.664 -24.451 1.00 0.00 H new ATOM 0 HB3 HIS A 100 31.701 31.569 -24.781 1.00 0.00 H new ATOM 0 HD2 HIS A 100 29.599 29.426 -26.783 1.00 0.00 H new ATOM 0 HE1 HIS A 100 33.487 28.150 -27.900 1.00 0.00 H new ATOM 0 HE2 HIS A 100 31.021 28.103 -28.522 1.00 0.00 H new ATOM 1467 N THR A 101 31.748 32.116 -22.245 1.00 0.00 N ATOM 1468 CA THR A 101 31.420 33.019 -21.148 1.00 0.00 C ATOM 1469 C THR A 101 29.985 33.525 -21.262 1.00 0.00 C ATOM 1470 O THR A 101 29.246 33.020 -22.133 1.00 0.00 O ATOM 1471 CB THR A 101 32.377 34.225 -21.110 1.00 0.00 C ATOM 1472 OG1 THR A 101 31.978 35.139 -20.081 1.00 0.00 O ATOM 1473 CG2 THR A 101 32.396 34.943 -22.451 1.00 0.00 C ATOM 1474 OXT THR A 101 29.610 34.423 -20.477 1.00 0.00 O ATOM 0 H THR A 101 32.117 32.578 -23.076 1.00 0.00 H new ATOM 0 HA THR A 101 31.528 32.449 -20.225 1.00 0.00 H new ATOM 0 HB THR A 101 33.380 33.856 -20.897 1.00 0.00 H new ATOM 0 HG1 THR A 101 31.015 35.310 -20.150 1.00 0.00 H new ATOM 0 HG21 THR A 101 33.079 35.791 -22.400 1.00 0.00 H new ATOM 0 HG22 THR A 101 32.730 34.255 -23.228 1.00 0.00 H new ATOM 0 HG23 THR A 101 31.393 35.298 -22.688 1.00 0.00 H new TER 1482 THR A 101