USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 495 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 4 HIS : no HD1:sc= -6.21! C(o=-12!,f=-35!) USER MOD Set 1.2: A 47 SER OG : rot 166:sc= -1.19! USER MOD Set 1.3: A 64 TYR OH : rot 78:sc= -4.27! USER MOD Set 2.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.00442 X(o=-0.0044,f=-0.31) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= -0.153 (180deg=-0.927) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.16) USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= -0.319 (180deg=-1.47!) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc=0.000127 (180deg=1.12e-05) USER MOD Single : A 44 SER OG : rot 180:sc= -0.107 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 MET CE :methyl 165:sc= -0.0111 (180deg=-0.0385) USER MOD Single : A 50 THR OG1 : rot -137:sc= -2.7! USER MOD Single : A 54 THR OG1 : rot -50:sc= -1.74 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -0.229 (180deg=-1.15!) USER MOD Single : A 58 THR OG1 : rot 130:sc= -0.671 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -17.278 -16.595 -21.726 1.00 0.00 N ATOM 21 CA PRO A 2 -18.107 -15.682 -22.565 1.00 0.00 C ATOM 22 C PRO A 2 -17.418 -14.340 -22.794 1.00 0.00 C ATOM 23 O PRO A 2 -16.705 -13.842 -21.923 1.00 0.00 O ATOM 24 CB PRO A 2 -19.402 -15.500 -21.762 1.00 0.00 C ATOM 25 CG PRO A 2 -19.431 -16.619 -20.772 1.00 0.00 C ATOM 26 CD PRO A 2 -17.979 -17.004 -20.503 1.00 0.00 C ATOM 0 HA PRO A 2 -18.281 -16.092 -23.560 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.417 -14.533 -21.259 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.274 -15.533 -22.415 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.926 -16.309 -19.852 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.990 -17.468 -21.164 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.585 -16.492 -19.625 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.876 -18.074 -20.321 1.00 0.00 H new ATOM 34 N LYS A 3 -17.635 -13.762 -23.969 1.00 0.00 N ATOM 35 CA LYS A 3 -17.028 -12.478 -24.300 1.00 0.00 C ATOM 36 C LYS A 3 -18.033 -11.349 -24.103 1.00 0.00 C ATOM 37 O LYS A 3 -19.112 -11.355 -24.693 1.00 0.00 O ATOM 38 CB LYS A 3 -16.541 -12.487 -25.749 1.00 0.00 C ATOM 39 CG LYS A 3 -15.458 -13.554 -25.916 1.00 0.00 C ATOM 40 CD LYS A 3 -14.462 -13.110 -26.990 1.00 0.00 C ATOM 41 CE LYS A 3 -13.415 -12.186 -26.365 1.00 0.00 C ATOM 42 NZ LYS A 3 -12.670 -11.478 -27.443 1.00 0.00 N ATOM 0 H LYS A 3 -18.222 -14.158 -24.704 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.179 -12.315 -23.636 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.374 -12.690 -26.422 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.146 -11.507 -26.017 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.941 -13.713 -24.970 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.910 -14.505 -26.196 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.977 -13.980 -27.433 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.985 -12.593 -27.794 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.898 -11.463 -25.708 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.725 -12.764 -25.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.958 -10.850 -27.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.197 -12.175 -28.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.334 -10.914 -28.011 1.00 0.00 H new ATOM 56 N HIS A 4 -17.671 -10.380 -23.267 1.00 0.00 N ATOM 57 CA HIS A 4 -18.552 -9.252 -23.001 1.00 0.00 C ATOM 58 C HIS A 4 -17.952 -7.967 -23.556 1.00 0.00 C ATOM 59 O HIS A 4 -16.754 -7.718 -23.416 1.00 0.00 O ATOM 60 CB HIS A 4 -18.769 -9.103 -21.495 1.00 0.00 C ATOM 61 CG HIS A 4 -20.227 -8.850 -21.217 1.00 0.00 C ATOM 62 ND1 HIS A 4 -21.021 -9.766 -20.546 1.00 0.00 N ATOM 63 CD2 HIS A 4 -21.048 -7.790 -21.515 1.00 0.00 C ATOM 64 CE1 HIS A 4 -22.258 -9.248 -20.462 1.00 0.00 C ATOM 65 NE2 HIS A 4 -22.331 -8.044 -21.037 1.00 0.00 N ATOM 0 H HIS A 4 -16.782 -10.354 -22.767 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.508 -9.438 -23.490 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.441 -10.006 -20.979 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.167 -8.280 -21.110 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -20.745 -6.896 -22.040 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -23.092 -9.744 -19.988 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -23.150 -7.441 -21.110 1.00 0.00 H new ATOM 73 N GLU A 5 -18.790 -7.149 -24.183 1.00 0.00 N ATOM 74 CA GLU A 5 -18.323 -5.891 -24.747 1.00 0.00 C ATOM 75 C GLU A 5 -18.948 -4.713 -24.012 1.00 0.00 C ATOM 76 O GLU A 5 -20.167 -4.643 -23.851 1.00 0.00 O ATOM 77 CB GLU A 5 -18.682 -5.816 -26.233 1.00 0.00 C ATOM 78 CG GLU A 5 -17.478 -6.248 -27.071 1.00 0.00 C ATOM 79 CD GLU A 5 -17.839 -6.226 -28.553 1.00 0.00 C ATOM 80 OE1 GLU A 5 -18.072 -5.146 -29.070 1.00 0.00 O ATOM 81 OE2 GLU A 5 -17.877 -7.290 -29.148 1.00 0.00 O ATOM 0 H GLU A 5 -19.785 -7.332 -24.312 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.240 -5.844 -24.634 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.536 -6.460 -26.445 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.976 -4.800 -26.496 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.636 -5.582 -26.883 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.163 -7.250 -26.780 1.00 0.00 H new ATOM 88 N PHE A 6 -18.105 -3.785 -23.574 1.00 0.00 N ATOM 89 CA PHE A 6 -18.578 -2.607 -22.862 1.00 0.00 C ATOM 90 C PHE A 6 -17.898 -1.360 -23.417 1.00 0.00 C ATOM 91 O PHE A 6 -16.705 -1.376 -23.718 1.00 0.00 O ATOM 92 CB PHE A 6 -18.277 -2.745 -21.365 1.00 0.00 C ATOM 93 CG PHE A 6 -19.567 -2.919 -20.597 1.00 0.00 C ATOM 94 CD1 PHE A 6 -20.410 -4.000 -20.879 1.00 0.00 C ATOM 95 CD2 PHE A 6 -19.915 -2.002 -19.599 1.00 0.00 C ATOM 96 CE1 PHE A 6 -21.602 -4.164 -20.162 1.00 0.00 C ATOM 97 CE2 PHE A 6 -21.107 -2.164 -18.884 1.00 0.00 C ATOM 98 CZ PHE A 6 -21.951 -3.246 -19.165 1.00 0.00 C ATOM 0 H PHE A 6 -17.094 -3.826 -23.700 1.00 0.00 H new ATOM 0 HA PHE A 6 -19.655 -2.516 -22.999 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -17.623 -3.600 -21.194 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -17.747 -1.862 -21.008 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -20.141 -4.708 -21.649 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -19.263 -1.169 -19.380 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -22.252 -4.999 -20.379 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -21.376 -1.455 -18.115 1.00 0.00 H new ATOM 0 HZ PHE A 6 -22.870 -3.372 -18.613 1.00 0.00 H new ATOM 108 N SER A 7 -18.663 -0.282 -23.561 1.00 0.00 N ATOM 109 CA SER A 7 -18.113 0.958 -24.095 1.00 0.00 C ATOM 110 C SER A 7 -18.073 2.041 -23.024 1.00 0.00 C ATOM 111 O SER A 7 -19.110 2.469 -22.518 1.00 0.00 O ATOM 112 CB SER A 7 -18.957 1.438 -25.273 1.00 0.00 C ATOM 113 OG SER A 7 -18.666 2.807 -25.529 1.00 0.00 O ATOM 0 H SER A 7 -19.653 -0.242 -23.319 1.00 0.00 H new ATOM 0 HA SER A 7 -17.095 0.761 -24.430 1.00 0.00 H new ATOM 0 HB2 SER A 7 -18.744 0.837 -26.157 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.017 1.314 -25.051 1.00 0.00 H new ATOM 0 HG SER A 7 -19.204 3.120 -26.286 1.00 0.00 H new ATOM 119 N VAL A 8 -16.867 2.483 -22.685 1.00 0.00 N ATOM 120 CA VAL A 8 -16.702 3.520 -21.674 1.00 0.00 C ATOM 121 C VAL A 8 -15.777 4.624 -22.173 1.00 0.00 C ATOM 122 O VAL A 8 -14.690 4.352 -22.683 1.00 0.00 O ATOM 123 CB VAL A 8 -16.121 2.911 -20.399 1.00 0.00 C ATOM 124 CG1 VAL A 8 -14.740 2.324 -20.695 1.00 0.00 C ATOM 125 CG2 VAL A 8 -15.995 3.995 -19.324 1.00 0.00 C ATOM 0 H VAL A 8 -15.996 2.143 -23.092 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.681 3.952 -21.465 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.782 2.121 -20.042 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.326 1.890 -19.785 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.829 1.551 -21.458 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.079 3.113 -21.054 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.580 3.559 -18.415 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.336 4.786 -19.681 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.979 4.412 -19.110 1.00 0.00 H new ATOM 135 N ASP A 9 -16.207 5.870 -22.003 1.00 0.00 N ATOM 136 CA ASP A 9 -15.396 7.005 -22.419 1.00 0.00 C ATOM 137 C ASP A 9 -14.483 7.420 -21.273 1.00 0.00 C ATOM 138 O ASP A 9 -14.951 7.874 -20.230 1.00 0.00 O ATOM 139 CB ASP A 9 -16.294 8.180 -22.816 1.00 0.00 C ATOM 140 CG ASP A 9 -15.625 8.995 -23.918 1.00 0.00 C ATOM 141 OD1 ASP A 9 -14.441 8.802 -24.135 1.00 0.00 O ATOM 142 OD2 ASP A 9 -16.308 9.800 -24.530 1.00 0.00 O ATOM 0 H ASP A 9 -17.104 6.117 -21.584 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.794 6.717 -23.281 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.260 7.811 -23.160 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.485 8.812 -21.949 1.00 0.00 H new ATOM 147 N MET A 10 -13.180 7.246 -21.462 1.00 0.00 N ATOM 148 CA MET A 10 -12.226 7.592 -20.418 1.00 0.00 C ATOM 149 C MET A 10 -12.202 9.097 -20.180 1.00 0.00 C ATOM 150 O MET A 10 -11.834 9.872 -21.064 1.00 0.00 O ATOM 151 CB MET A 10 -10.827 7.118 -20.813 1.00 0.00 C ATOM 152 CG MET A 10 -10.898 5.683 -21.340 1.00 0.00 C ATOM 153 SD MET A 10 -9.913 4.601 -20.276 1.00 0.00 S ATOM 154 CE MET A 10 -10.236 3.057 -21.162 1.00 0.00 C ATOM 0 H MET A 10 -12.765 6.873 -22.316 1.00 0.00 H new ATOM 0 HA MET A 10 -12.536 7.098 -19.497 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.412 7.776 -21.576 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.160 7.167 -19.953 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.934 5.343 -21.363 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.526 5.641 -22.364 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.714 2.238 -20.668 1.00 0.00 H new ATOM 0 HE2 MET A 10 -11.307 2.856 -21.164 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.882 3.146 -22.189 1.00 0.00 H new ATOM 164 N THR A 11 -12.584 9.502 -18.975 1.00 0.00 N ATOM 165 CA THR A 11 -12.594 10.914 -18.617 1.00 0.00 C ATOM 166 C THR A 11 -11.496 11.204 -17.600 1.00 0.00 C ATOM 167 O THR A 11 -10.810 12.222 -17.678 1.00 0.00 O ATOM 168 CB THR A 11 -13.955 11.298 -18.032 1.00 0.00 C ATOM 169 OG1 THR A 11 -14.986 10.777 -18.858 1.00 0.00 O ATOM 170 CG2 THR A 11 -14.073 12.820 -17.964 1.00 0.00 C ATOM 0 H THR A 11 -12.890 8.874 -18.231 1.00 0.00 H new ATOM 0 HA THR A 11 -12.413 11.504 -19.515 1.00 0.00 H new ATOM 0 HB THR A 11 -14.049 10.885 -17.028 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.859 11.020 -18.484 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.043 13.091 -17.547 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.281 13.218 -17.330 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.979 13.237 -18.967 1.00 0.00 H new ATOM 178 N CYS A 12 -11.341 10.292 -16.646 1.00 0.00 N ATOM 179 CA CYS A 12 -10.329 10.437 -15.609 1.00 0.00 C ATOM 180 C CYS A 12 -9.071 9.658 -15.979 1.00 0.00 C ATOM 181 O CYS A 12 -8.406 9.101 -15.113 1.00 0.00 O ATOM 182 CB CYS A 12 -10.882 9.937 -14.272 1.00 0.00 C ATOM 183 SG CYS A 12 -11.490 11.345 -13.309 1.00 0.00 S ATOM 0 H CYS A 12 -11.904 9.445 -16.571 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.069 11.491 -15.517 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.688 9.224 -14.443 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.104 9.412 -13.718 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.962 10.923 -12.174 1.00 0.00 H new ATOM 189 N GLY A 13 -8.755 9.634 -17.274 1.00 0.00 N ATOM 190 CA GLY A 13 -7.571 8.926 -17.758 1.00 0.00 C ATOM 191 C GLY A 13 -6.591 8.659 -16.623 1.00 0.00 C ATOM 192 O GLY A 13 -6.127 7.533 -16.441 1.00 0.00 O ATOM 0 H GLY A 13 -9.300 10.094 -18.003 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.869 7.982 -18.215 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.082 9.516 -18.534 1.00 0.00 H new ATOM 196 N GLY A 14 -6.292 9.700 -15.854 1.00 0.00 N ATOM 197 CA GLY A 14 -5.378 9.567 -14.727 1.00 0.00 C ATOM 198 C GLY A 14 -5.965 8.637 -13.672 1.00 0.00 C ATOM 199 O GLY A 14 -5.332 7.664 -13.264 1.00 0.00 O ATOM 0 H GLY A 14 -6.667 10.639 -15.989 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.420 9.177 -15.072 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.185 10.547 -14.290 1.00 0.00 H new ATOM 203 N CYS A 15 -7.185 8.943 -13.238 1.00 0.00 N ATOM 204 CA CYS A 15 -7.856 8.126 -12.234 1.00 0.00 C ATOM 205 C CYS A 15 -8.595 6.961 -12.888 1.00 0.00 C ATOM 206 O CYS A 15 -8.565 5.837 -12.387 1.00 0.00 O ATOM 207 CB CYS A 15 -8.844 8.981 -11.439 1.00 0.00 C ATOM 208 SG CYS A 15 -8.247 9.173 -9.741 1.00 0.00 S ATOM 0 H CYS A 15 -7.725 9.745 -13.564 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.100 7.724 -11.560 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.956 9.958 -11.909 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.828 8.513 -11.439 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.086 9.902 -9.066 1.00 0.00 H new ATOM 214 N ALA A 16 -9.261 7.237 -14.007 1.00 0.00 N ATOM 215 CA ALA A 16 -10.008 6.201 -14.716 1.00 0.00 C ATOM 216 C ALA A 16 -9.107 5.012 -15.042 1.00 0.00 C ATOM 217 O ALA A 16 -9.558 3.867 -15.051 1.00 0.00 O ATOM 218 CB ALA A 16 -10.586 6.767 -16.016 1.00 0.00 C ATOM 0 H ALA A 16 -9.299 8.160 -14.439 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.819 5.865 -14.070 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.141 5.987 -16.537 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.255 7.596 -15.786 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.774 7.121 -16.651 1.00 0.00 H new ATOM 224 N GLU A 17 -7.835 5.289 -15.315 1.00 0.00 N ATOM 225 CA GLU A 17 -6.891 4.225 -15.643 1.00 0.00 C ATOM 226 C GLU A 17 -6.681 3.304 -14.447 1.00 0.00 C ATOM 227 O GLU A 17 -6.700 2.081 -14.584 1.00 0.00 O ATOM 228 CB GLU A 17 -5.549 4.822 -16.069 1.00 0.00 C ATOM 229 CG GLU A 17 -4.494 3.715 -16.121 1.00 0.00 C ATOM 230 CD GLU A 17 -3.657 3.853 -17.388 1.00 0.00 C ATOM 231 OE1 GLU A 17 -4.205 3.661 -18.460 1.00 0.00 O ATOM 232 OE2 GLU A 17 -2.480 4.150 -17.267 1.00 0.00 O ATOM 0 H GLU A 17 -7.438 6.228 -15.316 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.306 3.645 -16.467 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.643 5.296 -17.046 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.244 5.598 -15.366 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.851 3.772 -15.242 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.978 2.739 -16.099 1.00 0.00 H new ATOM 239 N ALA A 18 -6.487 3.898 -13.274 1.00 0.00 N ATOM 240 CA ALA A 18 -6.283 3.115 -12.061 1.00 0.00 C ATOM 241 C ALA A 18 -7.545 2.326 -11.737 1.00 0.00 C ATOM 242 O ALA A 18 -7.485 1.251 -11.139 1.00 0.00 O ATOM 243 CB ALA A 18 -5.934 4.037 -10.892 1.00 0.00 C ATOM 0 H ALA A 18 -6.467 4.909 -13.138 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.458 2.422 -12.223 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.784 3.442 -9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.020 4.585 -11.121 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.749 4.742 -10.729 1.00 0.00 H new ATOM 249 N VAL A 19 -8.684 2.871 -12.144 1.00 0.00 N ATOM 250 CA VAL A 19 -9.967 2.223 -11.907 1.00 0.00 C ATOM 251 C VAL A 19 -10.059 0.923 -12.699 1.00 0.00 C ATOM 252 O VAL A 19 -10.621 -0.066 -12.226 1.00 0.00 O ATOM 253 CB VAL A 19 -11.103 3.163 -12.312 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.335 2.347 -12.711 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.457 4.066 -11.130 1.00 0.00 C ATOM 0 H VAL A 19 -8.745 3.760 -12.640 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.054 1.991 -10.846 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.783 3.770 -13.159 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.141 3.022 -12.999 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.086 1.700 -13.552 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.656 1.737 -11.867 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.267 4.738 -11.415 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.774 3.453 -10.286 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.583 4.652 -10.845 1.00 0.00 H new ATOM 265 N SER A 20 -9.508 0.932 -13.911 1.00 0.00 N ATOM 266 CA SER A 20 -9.539 -0.251 -14.763 1.00 0.00 C ATOM 267 C SER A 20 -8.888 -1.435 -14.057 1.00 0.00 C ATOM 268 O SER A 20 -9.375 -2.560 -14.141 1.00 0.00 O ATOM 269 CB SER A 20 -8.805 0.030 -16.074 1.00 0.00 C ATOM 270 OG SER A 20 -8.045 -1.113 -16.442 1.00 0.00 O ATOM 0 H SER A 20 -9.039 1.739 -14.321 1.00 0.00 H new ATOM 0 HA SER A 20 -10.580 -0.496 -14.976 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.520 0.273 -16.860 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.151 0.894 -15.960 1.00 0.00 H new ATOM 0 HG SER A 20 -7.575 -0.936 -17.283 1.00 0.00 H new ATOM 276 N ARG A 21 -7.795 -1.175 -13.350 1.00 0.00 N ATOM 277 CA ARG A 21 -7.102 -2.232 -12.623 1.00 0.00 C ATOM 278 C ARG A 21 -8.026 -2.819 -11.561 1.00 0.00 C ATOM 279 O ARG A 21 -8.057 -4.031 -11.343 1.00 0.00 O ATOM 280 CB ARG A 21 -5.841 -1.675 -11.961 1.00 0.00 C ATOM 281 CG ARG A 21 -4.895 -1.139 -13.040 1.00 0.00 C ATOM 282 CD ARG A 21 -3.855 -0.221 -12.396 1.00 0.00 C ATOM 283 NE ARG A 21 -3.174 0.565 -13.417 1.00 0.00 N ATOM 284 CZ ARG A 21 -2.321 0.002 -14.267 1.00 0.00 C ATOM 285 NH1 ARG A 21 -2.073 -1.278 -14.193 1.00 0.00 N ATOM 286 NH2 ARG A 21 -1.728 0.729 -15.174 1.00 0.00 N ATOM 0 H ARG A 21 -7.372 -0.251 -13.265 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.817 -3.016 -13.325 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.104 -0.879 -11.264 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.346 -2.455 -11.382 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.400 -1.966 -13.549 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.460 -0.593 -13.795 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.339 0.442 -11.679 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.129 -0.815 -11.840 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.355 1.567 -13.481 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.534 -1.847 -13.483 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.418 -1.709 -14.846 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.919 1.729 -15.231 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.073 0.297 -15.826 1.00 0.00 H new ATOM 300 N VAL A 22 -8.781 -1.942 -10.911 1.00 0.00 N ATOM 301 CA VAL A 22 -9.719 -2.353 -9.872 1.00 0.00 C ATOM 302 C VAL A 22 -10.731 -3.359 -10.427 1.00 0.00 C ATOM 303 O VAL A 22 -11.406 -4.054 -9.668 1.00 0.00 O ATOM 304 CB VAL A 22 -10.437 -1.119 -9.300 1.00 0.00 C ATOM 305 CG1 VAL A 22 -11.896 -1.082 -9.767 1.00 0.00 C ATOM 306 CG2 VAL A 22 -10.401 -1.174 -7.771 1.00 0.00 C ATOM 0 H VAL A 22 -8.762 -0.937 -11.086 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.165 -2.841 -9.070 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.929 -0.223 -9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.388 -0.202 -9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.929 -1.037 -10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.410 -1.980 -9.425 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.909 -0.300 -7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.903 -2.079 -7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.365 -1.182 -7.432 1.00 0.00 H new ATOM 316 N LEU A 23 -10.843 -3.416 -11.751 1.00 0.00 N ATOM 317 CA LEU A 23 -11.792 -4.324 -12.393 1.00 0.00 C ATOM 318 C LEU A 23 -11.530 -5.766 -11.977 1.00 0.00 C ATOM 319 O LEU A 23 -12.462 -6.561 -11.857 1.00 0.00 O ATOM 320 CB LEU A 23 -11.674 -4.218 -13.918 1.00 0.00 C ATOM 321 CG LEU A 23 -12.508 -5.319 -14.579 1.00 0.00 C ATOM 322 CD1 LEU A 23 -13.968 -5.194 -14.139 1.00 0.00 C ATOM 323 CD2 LEU A 23 -12.425 -5.175 -16.101 1.00 0.00 C ATOM 0 H LEU A 23 -10.294 -2.849 -12.397 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.795 -4.038 -12.077 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.017 -3.239 -14.252 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.630 -4.309 -14.219 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.121 -6.293 -14.280 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.559 -5.979 -14.611 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.031 -5.294 -13.055 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.356 -4.220 -14.436 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.018 -5.958 -16.573 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.811 -4.199 -16.396 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.386 -5.265 -16.419 1.00 0.00 H new ATOM 335 N ASN A 24 -10.266 -6.103 -11.757 1.00 0.00 N ATOM 336 CA ASN A 24 -9.920 -7.458 -11.356 1.00 0.00 C ATOM 337 C ASN A 24 -10.725 -7.866 -10.125 1.00 0.00 C ATOM 338 O ASN A 24 -11.039 -9.041 -9.938 1.00 0.00 O ATOM 339 CB ASN A 24 -8.425 -7.547 -11.041 1.00 0.00 C ATOM 340 CG ASN A 24 -7.612 -7.428 -12.326 1.00 0.00 C ATOM 341 OD1 ASN A 24 -7.883 -8.128 -13.302 1.00 0.00 O ATOM 342 ND2 ASN A 24 -6.626 -6.577 -12.384 1.00 0.00 N ATOM 0 H ASN A 24 -9.474 -5.466 -11.848 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.156 -8.134 -12.178 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.143 -6.754 -10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.205 -8.494 -10.548 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.077 -6.490 -13.239 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.404 -5.998 -11.574 1.00 0.00 H new ATOM 349 N LYS A 25 -11.055 -6.885 -9.289 1.00 0.00 N ATOM 350 CA LYS A 25 -11.823 -7.154 -8.078 1.00 0.00 C ATOM 351 C LYS A 25 -13.251 -7.579 -8.418 1.00 0.00 C ATOM 352 O LYS A 25 -13.766 -8.548 -7.858 1.00 0.00 O ATOM 353 CB LYS A 25 -11.855 -5.897 -7.205 1.00 0.00 C ATOM 354 CG LYS A 25 -12.610 -6.182 -5.904 1.00 0.00 C ATOM 355 CD LYS A 25 -13.253 -4.889 -5.394 1.00 0.00 C ATOM 356 CE LYS A 25 -12.161 -3.879 -5.036 1.00 0.00 C ATOM 357 NZ LYS A 25 -12.568 -3.113 -3.824 1.00 0.00 N ATOM 0 H LYS A 25 -10.805 -5.906 -9.426 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.342 -7.969 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.838 -5.573 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.338 -5.082 -7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.375 -6.939 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.927 -6.581 -5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.911 -4.473 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.870 -5.098 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.219 -4.396 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.994 -3.198 -5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.825 -2.427 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.457 -2.608 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.706 -3.769 -3.029 1.00 0.00 H new ATOM 371 N LEU A 26 -13.889 -6.849 -9.327 1.00 0.00 N ATOM 372 CA LEU A 26 -15.259 -7.163 -9.720 1.00 0.00 C ATOM 373 C LEU A 26 -15.292 -8.278 -10.761 1.00 0.00 C ATOM 374 O LEU A 26 -16.155 -9.156 -10.715 1.00 0.00 O ATOM 375 CB LEU A 26 -15.933 -5.914 -10.293 1.00 0.00 C ATOM 376 CG LEU A 26 -17.279 -5.691 -9.605 1.00 0.00 C ATOM 377 CD1 LEU A 26 -18.093 -6.986 -9.633 1.00 0.00 C ATOM 378 CD2 LEU A 26 -17.046 -5.267 -8.153 1.00 0.00 C ATOM 0 H LEU A 26 -13.484 -6.042 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.796 -7.501 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.292 -5.045 -10.148 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -16.078 -6.028 -11.367 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.827 -4.909 -10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.052 -6.823 -9.142 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.261 -7.288 -10.667 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.546 -7.771 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.006 -5.108 -7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.496 -6.049 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.470 -4.342 -8.132 1.00 0.00 H new ATOM 390 N GLY A 27 -14.360 -8.232 -11.705 1.00 0.00 N ATOM 391 CA GLY A 27 -14.309 -9.237 -12.759 1.00 0.00 C ATOM 392 C GLY A 27 -13.268 -10.312 -12.464 1.00 0.00 C ATOM 393 O GLY A 27 -13.582 -11.502 -12.454 1.00 0.00 O ATOM 0 H GLY A 27 -13.635 -7.516 -11.763 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.290 -9.700 -12.868 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.076 -8.756 -13.709 1.00 0.00 H new ATOM 397 N GLY A 28 -12.028 -9.891 -12.242 1.00 0.00 N ATOM 398 CA GLY A 28 -10.956 -10.841 -11.969 1.00 0.00 C ATOM 399 C GLY A 28 -10.745 -11.747 -13.175 1.00 0.00 C ATOM 400 O GLY A 28 -10.226 -12.857 -13.055 1.00 0.00 O ATOM 0 H GLY A 28 -11.742 -8.912 -12.245 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.034 -10.306 -11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.204 -11.440 -11.093 1.00 0.00 H new ATOM 404 N VAL A 29 -11.162 -11.258 -14.338 1.00 0.00 N ATOM 405 CA VAL A 29 -11.031 -12.018 -15.576 1.00 0.00 C ATOM 406 C VAL A 29 -10.188 -11.252 -16.590 1.00 0.00 C ATOM 407 O VAL A 29 -9.774 -10.121 -16.340 1.00 0.00 O ATOM 408 CB VAL A 29 -12.419 -12.290 -16.161 1.00 0.00 C ATOM 409 CG1 VAL A 29 -13.198 -13.209 -15.220 1.00 0.00 C ATOM 410 CG2 VAL A 29 -13.172 -10.966 -16.320 1.00 0.00 C ATOM 0 H VAL A 29 -11.593 -10.340 -14.449 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.535 -12.963 -15.354 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.316 -12.770 -17.134 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.186 -13.403 -15.636 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.662 -14.151 -15.105 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.302 -12.729 -14.247 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.161 -11.158 -16.737 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.275 -10.487 -15.346 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.617 -10.310 -16.990 1.00 0.00 H new ATOM 420 N LYS A 30 -9.938 -11.879 -17.734 1.00 0.00 N ATOM 421 CA LYS A 30 -9.145 -11.250 -18.780 1.00 0.00 C ATOM 422 C LYS A 30 -9.797 -9.950 -19.235 1.00 0.00 C ATOM 423 O LYS A 30 -11.017 -9.872 -19.385 1.00 0.00 O ATOM 424 CB LYS A 30 -9.004 -12.197 -19.972 1.00 0.00 C ATOM 425 CG LYS A 30 -7.602 -12.063 -20.566 1.00 0.00 C ATOM 426 CD LYS A 30 -7.496 -12.924 -21.825 1.00 0.00 C ATOM 427 CE LYS A 30 -6.028 -13.048 -22.236 1.00 0.00 C ATOM 428 NZ LYS A 30 -5.272 -13.766 -21.171 1.00 0.00 N ATOM 0 H LYS A 30 -10.271 -12.816 -17.959 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.157 -11.027 -18.377 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.180 -13.225 -19.656 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.754 -11.963 -20.727 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.396 -11.020 -20.808 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.855 -12.374 -19.836 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.917 -13.912 -21.639 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.075 -12.477 -22.634 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.948 -13.587 -23.180 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.600 -12.059 -22.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.433 -14.219 -21.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.973 -13.089 -20.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.881 -14.492 -20.742 1.00 0.00 H new ATOM 442 N TYR A 31 -8.973 -8.933 -19.448 1.00 0.00 N ATOM 443 CA TYR A 31 -9.472 -7.632 -19.885 1.00 0.00 C ATOM 444 C TYR A 31 -8.489 -6.974 -20.850 1.00 0.00 C ATOM 445 O TYR A 31 -7.309 -7.325 -20.886 1.00 0.00 O ATOM 446 CB TYR A 31 -9.683 -6.723 -18.672 1.00 0.00 C ATOM 447 CG TYR A 31 -8.353 -6.453 -18.008 1.00 0.00 C ATOM 448 CD1 TYR A 31 -7.689 -7.480 -17.327 1.00 0.00 C ATOM 449 CD2 TYR A 31 -7.785 -5.174 -18.071 1.00 0.00 C ATOM 450 CE1 TYR A 31 -6.457 -7.229 -16.710 1.00 0.00 C ATOM 451 CE2 TYR A 31 -6.553 -4.924 -17.454 1.00 0.00 C ATOM 452 CZ TYR A 31 -5.889 -5.951 -16.774 1.00 0.00 C ATOM 453 OH TYR A 31 -4.676 -5.704 -16.165 1.00 0.00 O ATOM 0 H TYR A 31 -7.961 -8.981 -19.327 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.421 -7.782 -20.400 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.144 -5.785 -18.983 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.366 -7.195 -17.965 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.127 -8.466 -17.277 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.297 -4.381 -18.595 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.945 -8.022 -16.185 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.115 -3.938 -17.503 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.424 -4.767 -16.306 1.00 0.00 H new ATOM 463 N ASP A 32 -8.984 -6.016 -21.628 1.00 0.00 N ATOM 464 CA ASP A 32 -8.141 -5.311 -22.588 1.00 0.00 C ATOM 465 C ASP A 32 -8.523 -3.834 -22.646 1.00 0.00 C ATOM 466 O ASP A 32 -9.702 -3.486 -22.577 1.00 0.00 O ATOM 467 CB ASP A 32 -8.291 -5.936 -23.977 1.00 0.00 C ATOM 468 CG ASP A 32 -7.415 -7.180 -24.085 1.00 0.00 C ATOM 469 OD1 ASP A 32 -6.891 -7.602 -23.066 1.00 0.00 O ATOM 470 OD2 ASP A 32 -7.278 -7.691 -25.185 1.00 0.00 O ATOM 0 H ASP A 32 -9.957 -5.712 -21.613 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.103 -5.396 -22.266 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.334 -6.198 -24.156 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.008 -5.214 -24.743 1.00 0.00 H new ATOM 475 N ILE A 33 -7.519 -2.968 -22.761 1.00 0.00 N ATOM 476 CA ILE A 33 -7.762 -1.533 -22.815 1.00 0.00 C ATOM 477 C ILE A 33 -7.323 -0.952 -24.157 1.00 0.00 C ATOM 478 O ILE A 33 -6.156 -1.058 -24.537 1.00 0.00 O ATOM 479 CB ILE A 33 -6.993 -0.844 -21.689 1.00 0.00 C ATOM 480 CG1 ILE A 33 -5.718 -1.635 -21.387 1.00 0.00 C ATOM 481 CG2 ILE A 33 -7.864 -0.785 -20.433 1.00 0.00 C ATOM 482 CD1 ILE A 33 -4.920 -0.921 -20.295 1.00 0.00 C ATOM 0 H ILE A 33 -6.536 -3.235 -22.818 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.832 -1.361 -22.698 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.732 0.169 -21.996 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.972 -2.645 -21.065 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.114 -1.730 -22.290 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.313 -0.293 -19.631 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.773 -0.223 -20.647 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.127 -1.797 -20.125 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.012 -1.485 -20.080 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.654 0.080 -20.634 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.525 -0.849 -19.391 1.00 0.00 H new ATOM 494 N ASP A 34 -8.261 -0.331 -24.868 1.00 0.00 N ATOM 495 CA ASP A 34 -7.954 0.271 -26.162 1.00 0.00 C ATOM 496 C ASP A 34 -8.133 1.787 -26.101 1.00 0.00 C ATOM 497 O ASP A 34 -9.251 2.295 -26.177 1.00 0.00 O ATOM 498 CB ASP A 34 -8.866 -0.312 -27.243 1.00 0.00 C ATOM 499 CG ASP A 34 -9.025 -1.815 -27.032 1.00 0.00 C ATOM 500 OD1 ASP A 34 -8.031 -2.461 -26.745 1.00 0.00 O ATOM 501 OD2 ASP A 34 -10.139 -2.297 -27.164 1.00 0.00 O ATOM 0 H ASP A 34 -9.232 -0.232 -24.573 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.916 0.048 -26.409 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.841 0.174 -27.210 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.446 -0.117 -28.230 1.00 0.00 H new ATOM 506 N LEU A 35 -7.021 2.500 -25.956 1.00 0.00 N ATOM 507 CA LEU A 35 -7.052 3.957 -25.877 1.00 0.00 C ATOM 508 C LEU A 35 -7.623 4.588 -27.149 1.00 0.00 C ATOM 509 O LEU A 35 -8.544 5.402 -27.083 1.00 0.00 O ATOM 510 CB LEU A 35 -5.636 4.491 -25.638 1.00 0.00 C ATOM 511 CG LEU A 35 -5.534 5.070 -24.225 1.00 0.00 C ATOM 512 CD1 LEU A 35 -4.081 5.448 -23.933 1.00 0.00 C ATOM 513 CD2 LEU A 35 -6.414 6.318 -24.121 1.00 0.00 C ATOM 0 H LEU A 35 -6.088 2.094 -25.891 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.704 4.227 -25.046 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.908 3.690 -25.766 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.398 5.259 -26.374 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.869 4.326 -23.502 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.008 5.861 -22.927 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.452 4.561 -24.008 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.746 6.192 -24.656 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.342 6.731 -23.115 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.078 7.062 -24.844 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.450 6.051 -24.330 1.00 0.00 H new ATOM 525 N PRO A 36 -7.082 4.257 -28.296 1.00 0.00 N ATOM 526 CA PRO A 36 -7.541 4.835 -29.594 1.00 0.00 C ATOM 527 C PRO A 36 -8.982 4.462 -29.938 1.00 0.00 C ATOM 528 O PRO A 36 -9.624 5.135 -30.743 1.00 0.00 O ATOM 529 CB PRO A 36 -6.566 4.269 -30.632 1.00 0.00 C ATOM 530 CG PRO A 36 -5.926 3.081 -29.993 1.00 0.00 C ATOM 531 CD PRO A 36 -5.979 3.299 -28.483 1.00 0.00 C ATOM 0 HA PRO A 36 -7.541 5.924 -29.558 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.090 3.986 -31.545 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.819 5.012 -30.911 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.451 2.166 -30.269 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.895 2.971 -30.330 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.167 2.366 -27.952 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.037 3.697 -28.104 1.00 0.00 H new ATOM 539 N ASN A 37 -9.486 3.392 -29.335 1.00 0.00 N ATOM 540 CA ASN A 37 -10.852 2.958 -29.608 1.00 0.00 C ATOM 541 C ASN A 37 -11.783 3.333 -28.458 1.00 0.00 C ATOM 542 O ASN A 37 -13.004 3.261 -28.591 1.00 0.00 O ATOM 543 CB ASN A 37 -10.888 1.443 -29.821 1.00 0.00 C ATOM 544 CG ASN A 37 -10.908 1.128 -31.313 1.00 0.00 C ATOM 545 OD1 ASN A 37 -11.777 1.612 -32.039 1.00 0.00 O ATOM 546 ND2 ASN A 37 -9.997 0.342 -31.817 1.00 0.00 N ATOM 0 H ASN A 37 -8.979 2.816 -28.663 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.194 3.462 -30.512 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.018 0.981 -29.355 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.770 1.020 -29.340 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.004 0.127 -32.814 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.278 -0.058 -31.214 1.00 0.00 H new ATOM 553 N LYS A 38 -11.202 3.730 -27.332 1.00 0.00 N ATOM 554 CA LYS A 38 -12.000 4.106 -26.170 1.00 0.00 C ATOM 555 C LYS A 38 -12.989 2.998 -25.831 1.00 0.00 C ATOM 556 O LYS A 38 -14.132 3.261 -25.457 1.00 0.00 O ATOM 557 CB LYS A 38 -12.761 5.402 -26.451 1.00 0.00 C ATOM 558 CG LYS A 38 -11.907 6.320 -27.325 1.00 0.00 C ATOM 559 CD LYS A 38 -12.202 7.779 -26.972 1.00 0.00 C ATOM 560 CE LYS A 38 -11.868 8.673 -28.166 1.00 0.00 C ATOM 561 NZ LYS A 38 -10.747 8.069 -28.940 1.00 0.00 N ATOM 0 H LYS A 38 -10.193 3.800 -27.198 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.330 4.259 -25.324 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.704 5.181 -26.951 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.007 5.901 -25.514 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.849 6.104 -27.173 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.121 6.139 -28.378 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.252 7.893 -26.702 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.615 8.080 -26.104 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.744 8.788 -28.804 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.591 9.669 -27.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.264 8.810 -29.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.071 7.627 -28.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.122 7.348 -29.589 1.00 0.00 H new ATOM 575 N LYS A 39 -12.538 1.757 -25.968 1.00 0.00 N ATOM 576 CA LYS A 39 -13.386 0.610 -25.677 1.00 0.00 C ATOM 577 C LYS A 39 -12.613 -0.427 -24.875 1.00 0.00 C ATOM 578 O LYS A 39 -11.395 -0.548 -25.009 1.00 0.00 O ATOM 579 CB LYS A 39 -13.882 -0.021 -26.981 1.00 0.00 C ATOM 580 CG LYS A 39 -15.010 -1.007 -26.674 1.00 0.00 C ATOM 581 CD LYS A 39 -14.753 -2.324 -27.408 1.00 0.00 C ATOM 582 CE LYS A 39 -14.856 -2.097 -28.917 1.00 0.00 C ATOM 583 NZ LYS A 39 -16.261 -2.328 -29.361 1.00 0.00 N ATOM 0 H LYS A 39 -11.595 1.521 -26.277 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.240 0.951 -25.092 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.237 0.754 -27.660 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.062 -0.535 -27.484 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.071 -1.183 -25.600 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.968 -0.588 -26.983 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.765 -2.707 -27.154 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.477 -3.075 -27.093 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.548 -1.081 -29.164 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.181 -2.772 -29.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.324 -2.207 -30.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.551 -3.294 -29.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.890 -1.644 -28.893 1.00 0.00 H new ATOM 597 N VAL A 40 -13.324 -1.172 -24.040 1.00 0.00 N ATOM 598 CA VAL A 40 -12.693 -2.191 -23.221 1.00 0.00 C ATOM 599 C VAL A 40 -13.334 -3.552 -23.473 1.00 0.00 C ATOM 600 O VAL A 40 -14.535 -3.730 -23.261 1.00 0.00 O ATOM 601 CB VAL A 40 -12.838 -1.822 -21.744 1.00 0.00 C ATOM 602 CG1 VAL A 40 -11.607 -1.039 -21.286 1.00 0.00 C ATOM 603 CG2 VAL A 40 -14.086 -0.957 -21.558 1.00 0.00 C ATOM 0 H VAL A 40 -14.333 -1.089 -23.914 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.637 -2.248 -23.484 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.929 -2.732 -21.151 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.713 -0.777 -20.233 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.716 -1.652 -21.420 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.514 -0.129 -21.878 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.192 -0.692 -20.506 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.991 -0.049 -22.153 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -14.966 -1.513 -21.883 1.00 0.00 H new ATOM 613 N CYS A 41 -12.528 -4.510 -23.918 1.00 0.00 N ATOM 614 CA CYS A 41 -13.034 -5.852 -24.182 1.00 0.00 C ATOM 615 C CYS A 41 -12.727 -6.758 -22.998 1.00 0.00 C ATOM 616 O CYS A 41 -11.565 -7.032 -22.700 1.00 0.00 O ATOM 617 CB CYS A 41 -12.385 -6.417 -25.447 1.00 0.00 C ATOM 618 SG CYS A 41 -12.939 -8.123 -25.698 1.00 0.00 S ATOM 0 H CYS A 41 -11.533 -4.385 -24.102 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.113 -5.803 -24.328 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -12.651 -5.806 -26.309 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -11.299 -6.385 -25.357 1.00 0.00 H new ATOM 0 HG CYS A 41 -12.390 -8.604 -26.774 1.00 0.00 H new ATOM 624 N ILE A 42 -13.772 -7.206 -22.313 1.00 0.00 N ATOM 625 CA ILE A 42 -13.586 -8.063 -21.150 1.00 0.00 C ATOM 626 C ILE A 42 -14.420 -9.333 -21.246 1.00 0.00 C ATOM 627 O ILE A 42 -15.626 -9.282 -21.494 1.00 0.00 O ATOM 628 CB ILE A 42 -13.979 -7.304 -19.884 1.00 0.00 C ATOM 629 CG1 ILE A 42 -13.611 -8.141 -18.654 1.00 0.00 C ATOM 630 CG2 ILE A 42 -15.485 -7.042 -19.896 1.00 0.00 C ATOM 631 CD1 ILE A 42 -14.575 -7.828 -17.507 1.00 0.00 C ATOM 0 H ILE A 42 -14.744 -6.994 -22.539 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.534 -8.346 -21.113 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.447 -6.353 -19.847 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.655 -9.202 -18.899 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.587 -7.926 -18.349 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.767 -6.500 -18.993 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -15.744 -6.447 -20.772 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.019 -7.991 -19.931 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -14.309 -8.426 -16.635 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -14.509 -6.770 -17.255 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -15.594 -8.066 -17.813 1.00 0.00 H new ATOM 643 N GLU A 43 -13.775 -10.469 -21.006 1.00 0.00 N ATOM 644 CA GLU A 43 -14.470 -11.747 -21.023 1.00 0.00 C ATOM 645 C GLU A 43 -14.531 -12.282 -19.599 1.00 0.00 C ATOM 646 O GLU A 43 -13.499 -12.551 -18.986 1.00 0.00 O ATOM 647 CB GLU A 43 -13.731 -12.740 -21.922 1.00 0.00 C ATOM 648 CG GLU A 43 -12.256 -12.355 -22.004 1.00 0.00 C ATOM 649 CD GLU A 43 -11.439 -13.538 -22.512 1.00 0.00 C ATOM 650 OE1 GLU A 43 -12.026 -14.420 -23.118 1.00 0.00 O ATOM 651 OE2 GLU A 43 -10.240 -13.546 -22.286 1.00 0.00 O ATOM 0 H GLU A 43 -12.778 -10.530 -20.799 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.478 -11.613 -21.416 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.832 -13.750 -21.526 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.173 -12.743 -22.918 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.130 -11.502 -22.671 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.896 -12.048 -21.022 1.00 0.00 H new ATOM 658 N SER A 44 -15.737 -12.407 -19.063 1.00 0.00 N ATOM 659 CA SER A 44 -15.894 -12.881 -17.694 1.00 0.00 C ATOM 660 C SER A 44 -16.752 -14.136 -17.630 1.00 0.00 C ATOM 661 O SER A 44 -17.455 -14.478 -18.581 1.00 0.00 O ATOM 662 CB SER A 44 -16.531 -11.788 -16.837 1.00 0.00 C ATOM 663 OG SER A 44 -16.217 -12.020 -15.470 1.00 0.00 O ATOM 0 H SER A 44 -16.609 -12.191 -19.546 1.00 0.00 H new ATOM 0 HA SER A 44 -14.903 -13.126 -17.312 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.165 -10.809 -17.145 1.00 0.00 H new ATOM 0 HB3 SER A 44 -17.612 -11.783 -16.978 1.00 0.00 H new ATOM 0 HG SER A 44 -16.623 -11.319 -14.918 1.00 0.00 H new ATOM 669 N GLU A 45 -16.686 -14.810 -16.488 1.00 0.00 N ATOM 670 CA GLU A 45 -17.453 -16.024 -16.270 1.00 0.00 C ATOM 671 C GLU A 45 -18.893 -15.678 -15.911 1.00 0.00 C ATOM 672 O GLU A 45 -19.810 -16.469 -16.134 1.00 0.00 O ATOM 673 CB GLU A 45 -16.817 -16.822 -15.133 1.00 0.00 C ATOM 674 CG GLU A 45 -15.526 -17.473 -15.630 1.00 0.00 C ATOM 675 CD GLU A 45 -15.851 -18.729 -16.430 1.00 0.00 C ATOM 676 OE1 GLU A 45 -16.229 -18.592 -17.583 1.00 0.00 O ATOM 677 OE2 GLU A 45 -15.721 -19.810 -15.879 1.00 0.00 O ATOM 0 H GLU A 45 -16.105 -14.532 -15.697 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.452 -16.619 -17.183 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.605 -16.167 -14.288 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.509 -17.586 -14.778 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.970 -16.770 -16.250 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.887 -17.726 -14.784 1.00 0.00 H new ATOM 684 N HIS A 46 -19.078 -14.487 -15.354 1.00 0.00 N ATOM 685 CA HIS A 46 -20.406 -14.031 -14.965 1.00 0.00 C ATOM 686 C HIS A 46 -20.826 -12.847 -15.827 1.00 0.00 C ATOM 687 O HIS A 46 -21.941 -12.805 -16.348 1.00 0.00 O ATOM 688 CB HIS A 46 -20.403 -13.616 -13.490 1.00 0.00 C ATOM 689 CG HIS A 46 -21.181 -14.616 -12.679 1.00 0.00 C ATOM 690 ND1 HIS A 46 -20.578 -15.714 -12.084 1.00 0.00 N ATOM 691 CD2 HIS A 46 -22.513 -14.696 -12.353 1.00 0.00 C ATOM 692 CE1 HIS A 46 -21.538 -16.401 -11.436 1.00 0.00 C ATOM 693 NE2 HIS A 46 -22.736 -15.824 -11.568 1.00 0.00 N ATOM 0 H HIS A 46 -18.328 -13.822 -15.162 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.114 -14.847 -15.109 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -19.379 -13.553 -13.122 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -20.842 -12.624 -13.381 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -23.272 -13.991 -12.659 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -21.361 -17.308 -10.877 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -23.623 -16.142 -11.178 1.00 0.00 H new ATOM 701 N SER A 47 -19.918 -11.889 -15.973 1.00 0.00 N ATOM 702 CA SER A 47 -20.184 -10.700 -16.774 1.00 0.00 C ATOM 703 C SER A 47 -21.536 -10.094 -16.414 1.00 0.00 C ATOM 704 O SER A 47 -22.351 -10.721 -15.739 1.00 0.00 O ATOM 705 CB SER A 47 -20.160 -11.053 -18.261 1.00 0.00 C ATOM 706 OG SER A 47 -21.493 -11.220 -18.728 1.00 0.00 O ATOM 0 H SER A 47 -18.991 -11.912 -15.547 1.00 0.00 H new ATOM 0 HA SER A 47 -19.406 -9.967 -16.562 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.661 -10.265 -18.825 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.590 -11.968 -18.420 1.00 0.00 H new ATOM 0 HG SER A 47 -21.498 -11.225 -19.708 1.00 0.00 H new ATOM 712 N MET A 48 -21.762 -8.869 -16.872 1.00 0.00 N ATOM 713 CA MET A 48 -23.017 -8.180 -16.600 1.00 0.00 C ATOM 714 C MET A 48 -23.100 -7.772 -15.133 1.00 0.00 C ATOM 715 O MET A 48 -24.004 -8.189 -14.410 1.00 0.00 O ATOM 716 CB MET A 48 -24.198 -9.088 -16.948 1.00 0.00 C ATOM 717 CG MET A 48 -25.474 -8.252 -17.054 1.00 0.00 C ATOM 718 SD MET A 48 -26.769 -9.001 -16.035 1.00 0.00 S ATOM 719 CE MET A 48 -27.178 -7.524 -15.074 1.00 0.00 C ATOM 0 H MET A 48 -21.097 -8.335 -17.431 1.00 0.00 H new ATOM 0 HA MET A 48 -23.056 -7.282 -17.216 1.00 0.00 H new ATOM 0 HB2 MET A 48 -24.009 -9.602 -17.890 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.317 -9.856 -16.184 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.282 -7.231 -16.725 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.800 -8.196 -18.093 1.00 0.00 H new ATOM 0 HE1 MET A 48 -28.130 -7.673 -14.565 1.00 0.00 H new ATOM 0 HE2 MET A 48 -26.396 -7.342 -14.336 1.00 0.00 H new ATOM 0 HE3 MET A 48 -27.254 -6.665 -15.741 1.00 0.00 H new ATOM 729 N ASP A 49 -22.151 -6.950 -14.707 1.00 0.00 N ATOM 730 CA ASP A 49 -22.114 -6.478 -13.328 1.00 0.00 C ATOM 731 C ASP A 49 -20.726 -5.952 -12.991 1.00 0.00 C ATOM 732 O ASP A 49 -20.579 -4.936 -12.312 1.00 0.00 O ATOM 733 CB ASP A 49 -22.479 -7.616 -12.371 1.00 0.00 C ATOM 734 CG ASP A 49 -23.911 -7.441 -11.876 1.00 0.00 C ATOM 735 OD1 ASP A 49 -24.226 -6.361 -11.402 1.00 0.00 O ATOM 736 OD2 ASP A 49 -24.670 -8.390 -11.975 1.00 0.00 O ATOM 0 H ASP A 49 -21.397 -6.596 -15.295 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.839 -5.671 -13.217 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -22.375 -8.576 -12.877 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -21.792 -7.626 -11.525 1.00 0.00 H new ATOM 741 N THR A 50 -19.707 -6.657 -13.472 1.00 0.00 N ATOM 742 CA THR A 50 -18.327 -6.263 -13.223 1.00 0.00 C ATOM 743 C THR A 50 -17.908 -5.122 -14.149 1.00 0.00 C ATOM 744 O THR A 50 -17.104 -4.270 -13.774 1.00 0.00 O ATOM 745 CB THR A 50 -17.400 -7.464 -13.440 1.00 0.00 C ATOM 746 OG1 THR A 50 -16.079 -7.001 -13.667 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.871 -8.272 -14.654 1.00 0.00 C ATOM 0 H THR A 50 -19.811 -7.501 -14.035 1.00 0.00 H new ATOM 0 HA THR A 50 -18.250 -5.918 -12.192 1.00 0.00 H new ATOM 0 HB THR A 50 -17.421 -8.100 -12.555 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.676 -7.510 -14.401 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.208 -9.124 -14.803 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.887 -8.628 -14.482 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.854 -7.639 -15.541 1.00 0.00 H new ATOM 755 N LEU A 51 -18.445 -5.129 -15.365 1.00 0.00 N ATOM 756 CA LEU A 51 -18.109 -4.107 -16.354 1.00 0.00 C ATOM 757 C LEU A 51 -18.578 -2.709 -15.935 1.00 0.00 C ATOM 758 O LEU A 51 -17.810 -1.748 -15.992 1.00 0.00 O ATOM 759 CB LEU A 51 -18.739 -4.475 -17.699 1.00 0.00 C ATOM 760 CG LEU A 51 -18.983 -5.985 -17.748 1.00 0.00 C ATOM 761 CD1 LEU A 51 -20.367 -6.303 -17.177 1.00 0.00 C ATOM 762 CD2 LEU A 51 -18.912 -6.471 -19.197 1.00 0.00 C ATOM 0 H LEU A 51 -19.113 -5.828 -15.690 1.00 0.00 H new ATOM 0 HA LEU A 51 -17.023 -4.075 -16.436 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.679 -3.939 -17.832 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -18.082 -4.175 -18.515 1.00 0.00 H new ATOM 0 HG LEU A 51 -18.220 -6.489 -17.156 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.537 -7.379 -17.214 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.421 -5.962 -16.143 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.130 -5.795 -17.767 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.086 -7.547 -19.229 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -19.673 -5.962 -19.789 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -17.926 -6.251 -19.607 1.00 0.00 H new ATOM 774 N LEU A 52 -19.847 -2.592 -15.551 1.00 0.00 N ATOM 775 CA LEU A 52 -20.411 -1.296 -15.168 1.00 0.00 C ATOM 776 C LEU A 52 -19.805 -0.746 -13.876 1.00 0.00 C ATOM 777 O LEU A 52 -19.512 0.447 -13.783 1.00 0.00 O ATOM 778 CB LEU A 52 -21.925 -1.422 -14.996 1.00 0.00 C ATOM 779 CG LEU A 52 -22.259 -2.762 -14.337 1.00 0.00 C ATOM 780 CD1 LEU A 52 -23.475 -2.596 -13.425 1.00 0.00 C ATOM 781 CD2 LEU A 52 -22.571 -3.801 -15.414 1.00 0.00 C ATOM 0 H LEU A 52 -20.502 -3.372 -15.496 1.00 0.00 H new ATOM 0 HA LEU A 52 -20.171 -0.597 -15.969 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.301 -0.601 -14.385 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.418 -1.349 -15.965 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.405 -3.095 -13.748 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -23.712 -3.551 -12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -23.253 -1.859 -12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -24.328 -2.260 -14.014 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.808 -4.754 -14.942 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -23.423 -3.467 -16.006 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -21.704 -3.924 -16.063 1.00 0.00 H new ATOM 793 N ALA A 53 -19.644 -1.601 -12.875 1.00 0.00 N ATOM 794 CA ALA A 53 -19.104 -1.159 -11.592 1.00 0.00 C ATOM 795 C ALA A 53 -17.737 -0.497 -11.750 1.00 0.00 C ATOM 796 O ALA A 53 -17.490 0.573 -11.192 1.00 0.00 O ATOM 797 CB ALA A 53 -18.985 -2.352 -10.643 1.00 0.00 C ATOM 0 H ALA A 53 -19.876 -2.593 -12.922 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.791 -0.420 -11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.582 -2.018 -9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.970 -2.793 -10.487 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.319 -3.097 -11.077 1.00 0.00 H new ATOM 803 N THR A 54 -16.847 -1.141 -12.495 1.00 0.00 N ATOM 804 CA THR A 54 -15.505 -0.603 -12.697 1.00 0.00 C ATOM 805 C THR A 54 -15.522 0.659 -13.555 1.00 0.00 C ATOM 806 O THR A 54 -14.885 1.656 -13.220 1.00 0.00 O ATOM 807 CB THR A 54 -14.616 -1.657 -13.357 1.00 0.00 C ATOM 808 OG1 THR A 54 -14.561 -2.808 -12.528 1.00 0.00 O ATOM 809 CG2 THR A 54 -13.205 -1.094 -13.548 1.00 0.00 C ATOM 0 H THR A 54 -17.026 -2.028 -12.966 1.00 0.00 H new ATOM 0 HA THR A 54 -15.106 -0.339 -11.718 1.00 0.00 H new ATOM 0 HB THR A 54 -15.029 -1.926 -14.329 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.340 -2.541 -11.611 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.573 -1.847 -14.019 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.249 -0.209 -14.183 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.787 -0.824 -12.578 1.00 0.00 H new ATOM 817 N LEU A 55 -16.233 0.607 -14.674 1.00 0.00 N ATOM 818 CA LEU A 55 -16.296 1.753 -15.575 1.00 0.00 C ATOM 819 C LEU A 55 -16.965 2.955 -14.908 1.00 0.00 C ATOM 820 O LEU A 55 -16.465 4.077 -14.992 1.00 0.00 O ATOM 821 CB LEU A 55 -17.072 1.367 -16.834 1.00 0.00 C ATOM 822 CG LEU A 55 -16.129 0.699 -17.838 1.00 0.00 C ATOM 823 CD1 LEU A 55 -15.244 -0.321 -17.118 1.00 0.00 C ATOM 824 CD2 LEU A 55 -16.955 -0.015 -18.909 1.00 0.00 C ATOM 0 H LEU A 55 -16.769 -0.206 -14.978 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.276 2.037 -15.835 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.885 0.688 -16.577 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.525 2.253 -17.280 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.500 1.458 -18.302 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.575 -0.794 -17.837 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.656 0.184 -16.352 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.871 -1.081 -16.651 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.287 -0.492 -19.626 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.583 -0.772 -18.439 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -17.584 0.709 -19.426 1.00 0.00 H new ATOM 836 N LYS A 56 -18.096 2.717 -14.251 1.00 0.00 N ATOM 837 CA LYS A 56 -18.824 3.793 -13.581 1.00 0.00 C ATOM 838 C LYS A 56 -18.113 4.232 -12.301 1.00 0.00 C ATOM 839 O LYS A 56 -18.497 5.222 -11.679 1.00 0.00 O ATOM 840 CB LYS A 56 -20.242 3.331 -13.244 1.00 0.00 C ATOM 841 CG LYS A 56 -20.219 2.484 -11.970 1.00 0.00 C ATOM 842 CD LYS A 56 -21.522 1.690 -11.864 1.00 0.00 C ATOM 843 CE LYS A 56 -21.978 1.647 -10.404 1.00 0.00 C ATOM 844 NZ LYS A 56 -22.707 0.372 -10.150 1.00 0.00 N ATOM 0 H LYS A 56 -18.527 1.796 -14.167 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.865 4.644 -14.260 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -20.893 4.194 -13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.652 2.751 -14.071 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -19.367 1.805 -11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.099 3.125 -11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -22.292 2.151 -12.483 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.375 0.677 -12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -21.117 1.725 -9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -22.625 2.498 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -23.018 0.341 -9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -23.537 0.316 -10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -22.076 -0.433 -10.340 1.00 0.00 H new ATOM 858 N LYS A 57 -17.088 3.485 -11.907 1.00 0.00 N ATOM 859 CA LYS A 57 -16.345 3.800 -10.692 1.00 0.00 C ATOM 860 C LYS A 57 -15.806 5.230 -10.722 1.00 0.00 C ATOM 861 O LYS A 57 -15.976 5.980 -9.761 1.00 0.00 O ATOM 862 CB LYS A 57 -15.189 2.815 -10.526 1.00 0.00 C ATOM 863 CG LYS A 57 -15.054 2.425 -9.054 1.00 0.00 C ATOM 864 CD LYS A 57 -16.124 1.391 -8.693 1.00 0.00 C ATOM 865 CE LYS A 57 -16.435 1.480 -7.198 1.00 0.00 C ATOM 866 NZ LYS A 57 -17.020 2.817 -6.891 1.00 0.00 N ATOM 0 H LYS A 57 -16.754 2.662 -12.408 1.00 0.00 H new ATOM 0 HA LYS A 57 -17.027 3.715 -9.846 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.365 1.927 -11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.261 3.265 -10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.061 2.016 -8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.160 3.307 -8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.028 1.569 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.776 0.389 -8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.132 0.692 -6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.526 1.327 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.721 2.722 -6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.265 3.465 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.482 3.197 -7.741 1.00 0.00 H new ATOM 880 N THR A 58 -15.151 5.605 -11.818 1.00 0.00 N ATOM 881 CA THR A 58 -14.594 6.950 -11.928 1.00 0.00 C ATOM 882 C THR A 58 -15.650 7.938 -12.419 1.00 0.00 C ATOM 883 O THR A 58 -15.380 9.131 -12.554 1.00 0.00 O ATOM 884 CB THR A 58 -13.403 6.946 -12.890 1.00 0.00 C ATOM 885 OG1 THR A 58 -13.162 5.619 -13.338 1.00 0.00 O ATOM 886 CG2 THR A 58 -12.160 7.476 -12.172 1.00 0.00 C ATOM 0 H THR A 58 -14.995 5.008 -12.630 1.00 0.00 H new ATOM 0 HA THR A 58 -14.260 7.263 -10.939 1.00 0.00 H new ATOM 0 HB THR A 58 -13.626 7.585 -13.745 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.094 5.611 -14.316 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.314 7.472 -12.859 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.344 8.494 -11.829 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.935 6.840 -11.316 1.00 0.00 H new ATOM 894 N GLY A 59 -16.853 7.436 -12.677 1.00 0.00 N ATOM 895 CA GLY A 59 -17.941 8.290 -13.142 1.00 0.00 C ATOM 896 C GLY A 59 -17.956 8.387 -14.664 1.00 0.00 C ATOM 897 O GLY A 59 -18.604 9.268 -15.231 1.00 0.00 O ATOM 0 H GLY A 59 -17.099 6.451 -12.573 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.894 7.893 -12.791 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.833 9.286 -12.713 1.00 0.00 H new ATOM 901 N ALA A 60 -17.244 7.480 -15.320 1.00 0.00 N ATOM 902 CA ALA A 60 -17.188 7.478 -16.777 1.00 0.00 C ATOM 903 C ALA A 60 -18.482 6.922 -17.358 1.00 0.00 C ATOM 904 O ALA A 60 -19.084 6.009 -16.793 1.00 0.00 O ATOM 905 CB ALA A 60 -16.006 6.631 -17.255 1.00 0.00 C ATOM 0 H ALA A 60 -16.701 6.742 -14.872 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.059 8.505 -17.119 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -15.972 6.635 -18.344 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.078 7.046 -16.862 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.125 5.607 -16.900 1.00 0.00 H new ATOM 911 N THR A 61 -18.908 7.477 -18.488 1.00 0.00 N ATOM 912 CA THR A 61 -20.135 7.027 -19.134 1.00 0.00 C ATOM 913 C THR A 61 -19.992 5.586 -19.613 1.00 0.00 C ATOM 914 O THR A 61 -19.026 5.242 -20.294 1.00 0.00 O ATOM 915 CB THR A 61 -20.461 7.929 -20.325 1.00 0.00 C ATOM 916 OG1 THR A 61 -21.361 7.256 -21.193 1.00 0.00 O ATOM 917 CG2 THR A 61 -19.173 8.261 -21.080 1.00 0.00 C ATOM 0 H THR A 61 -18.425 8.234 -18.972 1.00 0.00 H new ATOM 0 HA THR A 61 -20.944 7.079 -18.406 1.00 0.00 H new ATOM 0 HB THR A 61 -20.920 8.852 -19.970 1.00 0.00 H new ATOM 0 HG1 THR A 61 -21.572 7.833 -21.956 1.00 0.00 H new ATOM 0 HG21 THR A 61 -19.404 8.904 -21.929 1.00 0.00 H new ATOM 0 HG22 THR A 61 -18.482 8.776 -20.412 1.00 0.00 H new ATOM 0 HG23 THR A 61 -18.713 7.340 -21.437 1.00 0.00 H new ATOM 925 N VAL A 62 -20.957 4.749 -19.252 1.00 0.00 N ATOM 926 CA VAL A 62 -20.927 3.346 -19.649 1.00 0.00 C ATOM 927 C VAL A 62 -22.224 2.954 -20.347 1.00 0.00 C ATOM 928 O VAL A 62 -23.314 3.316 -19.902 1.00 0.00 O ATOM 929 CB VAL A 62 -20.723 2.462 -18.419 1.00 0.00 C ATOM 930 CG1 VAL A 62 -21.923 2.610 -17.482 1.00 0.00 C ATOM 931 CG2 VAL A 62 -20.598 1.003 -18.857 1.00 0.00 C ATOM 0 H VAL A 62 -21.765 5.014 -18.689 1.00 0.00 H new ATOM 0 HA VAL A 62 -20.099 3.204 -20.344 1.00 0.00 H new ATOM 0 HB VAL A 62 -19.815 2.766 -17.899 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -21.779 1.980 -16.604 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -22.015 3.651 -17.171 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -22.831 2.305 -18.002 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -20.452 0.371 -17.981 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -21.507 0.700 -19.376 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.745 0.896 -19.527 1.00 0.00 H new ATOM 941 N SER A 63 -22.102 2.206 -21.440 1.00 0.00 N ATOM 942 CA SER A 63 -23.273 1.765 -22.187 1.00 0.00 C ATOM 943 C SER A 63 -23.241 0.254 -22.381 1.00 0.00 C ATOM 944 O SER A 63 -22.231 -0.305 -22.812 1.00 0.00 O ATOM 945 CB SER A 63 -23.322 2.455 -23.550 1.00 0.00 C ATOM 946 OG SER A 63 -24.310 1.827 -24.357 1.00 0.00 O ATOM 0 H SER A 63 -21.210 1.895 -21.825 1.00 0.00 H new ATOM 0 HA SER A 63 -24.163 2.032 -21.618 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.554 3.513 -23.427 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.348 2.397 -24.036 1.00 0.00 H new ATOM 0 HG SER A 63 -24.346 2.267 -25.232 1.00 0.00 H new ATOM 952 N TYR A 64 -24.350 -0.403 -22.061 1.00 0.00 N ATOM 953 CA TYR A 64 -24.435 -1.851 -22.204 1.00 0.00 C ATOM 954 C TYR A 64 -24.662 -2.231 -23.663 1.00 0.00 C ATOM 955 O TYR A 64 -25.703 -1.921 -24.241 1.00 0.00 O ATOM 956 CB TYR A 64 -25.578 -2.398 -21.349 1.00 0.00 C ATOM 957 CG TYR A 64 -25.211 -3.772 -20.841 1.00 0.00 C ATOM 958 CD1 TYR A 64 -24.929 -4.801 -21.748 1.00 0.00 C ATOM 959 CD2 TYR A 64 -25.151 -4.017 -19.465 1.00 0.00 C ATOM 960 CE1 TYR A 64 -24.586 -6.073 -21.278 1.00 0.00 C ATOM 961 CE2 TYR A 64 -24.809 -5.290 -18.995 1.00 0.00 C ATOM 962 CZ TYR A 64 -24.526 -6.318 -19.901 1.00 0.00 C ATOM 963 OH TYR A 64 -24.188 -7.574 -19.438 1.00 0.00 O ATOM 0 H TYR A 64 -25.196 0.040 -21.704 1.00 0.00 H new ATOM 0 HA TYR A 64 -23.493 -2.285 -21.868 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -25.773 -1.728 -20.511 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -26.495 -2.448 -21.937 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -24.976 -4.612 -22.810 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -25.369 -3.224 -18.765 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -24.367 -6.866 -21.978 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -24.763 -5.479 -17.933 1.00 0.00 H new ATOM 0 HH TYR A 64 -23.218 -7.696 -19.502 1.00 0.00 H new ATOM 973 N LEU A 65 -23.680 -2.906 -24.251 1.00 0.00 N ATOM 974 CA LEU A 65 -23.782 -3.327 -25.643 1.00 0.00 C ATOM 975 C LEU A 65 -24.586 -4.619 -25.750 1.00 0.00 C ATOM 976 O LEU A 65 -25.522 -4.717 -26.543 1.00 0.00 O ATOM 977 CB LEU A 65 -22.385 -3.546 -26.229 1.00 0.00 C ATOM 978 CG LEU A 65 -21.740 -2.196 -26.555 1.00 0.00 C ATOM 979 CD1 LEU A 65 -22.598 -1.448 -27.577 1.00 0.00 C ATOM 980 CD2 LEU A 65 -21.625 -1.361 -25.277 1.00 0.00 C ATOM 0 H LEU A 65 -22.810 -3.172 -23.789 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.291 -2.543 -26.204 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -21.765 -4.093 -25.519 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.451 -4.155 -27.131 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.746 -2.363 -26.971 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -22.136 -0.488 -27.807 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -22.677 -2.040 -28.489 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -23.593 -1.282 -27.165 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -21.166 -0.400 -25.510 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.618 -1.197 -24.859 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -21.009 -1.891 -24.550 1.00 0.00 H new ATOM 992 N GLY A 66 -24.212 -5.607 -24.944 1.00 0.00 N ATOM 993 CA GLY A 66 -24.903 -6.891 -24.953 1.00 0.00 C ATOM 994 C GLY A 66 -23.935 -8.032 -24.657 1.00 0.00 C ATOM 995 O GLY A 66 -23.077 -7.920 -23.782 1.00 0.00 O ATOM 0 H GLY A 66 -23.440 -5.544 -24.281 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -25.701 -6.884 -24.211 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -25.372 -7.049 -25.924 1.00 0.00 H new