USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 THR OG1 : rot 180:sc= -1.74 USER MOD Set 1.2: A 18 ASN : amide:sc= -2.24 K(o=-4,f=-1.5) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -154:sc= -0.913 (180deg=-2.8!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 12 THR OG1 : rot 164:sc= -12.1! USER MOD Single : A 14 ASN : amide:sc= -1.1 X(o=-1.1,f=-1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 150:sc= 0.156 (180deg=-0.587) USER MOD Single : A 24 LYS NZ :NH3+ -144:sc= -0.155 (180deg=-0.735) USER MOD Single : A 25 THR OG1 : rot 155:sc= -3.4! USER MOD Single : A 29 TYR OH : rot 53:sc= -2.32! USER MOD Single : A 31 ASN : amide:sc= -4.56! C(o=-4.6!,f=-4.1!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.06! C(o=-2.1!,f=-1.1!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -88:sc= 0.529 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000711 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 8.124 -10.562 0.534 1.00 0.00 N ATOM 33 CA VAL A 3 6.681 -10.218 0.580 1.00 0.00 C ATOM 34 C VAL A 3 6.170 -10.429 2.007 1.00 0.00 C ATOM 35 O VAL A 3 5.176 -9.863 2.412 1.00 0.00 O ATOM 36 CB VAL A 3 5.906 -11.118 -0.385 1.00 0.00 C ATOM 37 CG1 VAL A 3 4.601 -10.433 -0.788 1.00 0.00 C ATOM 38 CG2 VAL A 3 6.751 -11.370 -1.637 1.00 0.00 C ATOM 0 HA VAL A 3 6.538 -9.178 0.286 1.00 0.00 H new ATOM 0 HB VAL A 3 5.684 -12.066 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.050 -11.075 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.997 -10.250 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.824 -9.485 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.200 -12.011 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.972 -10.420 -2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.684 -11.858 -1.354 1.00 0.00 H new ATOM 48 N GLU A 4 6.851 -11.234 2.777 1.00 0.00 N ATOM 49 CA GLU A 4 6.409 -11.471 4.179 1.00 0.00 C ATOM 50 C GLU A 4 6.401 -10.139 4.929 1.00 0.00 C ATOM 51 O GLU A 4 5.450 -9.800 5.604 1.00 0.00 O ATOM 52 CB GLU A 4 7.375 -12.438 4.864 1.00 0.00 C ATOM 53 CG GLU A 4 6.580 -13.531 5.579 1.00 0.00 C ATOM 54 CD GLU A 4 7.346 -13.995 6.818 1.00 0.00 C ATOM 55 OE1 GLU A 4 8.563 -13.915 6.801 1.00 0.00 O ATOM 56 OE2 GLU A 4 6.703 -14.423 7.763 1.00 0.00 O ATOM 0 H GLU A 4 7.693 -11.737 2.495 1.00 0.00 H new ATOM 0 HA GLU A 4 5.408 -11.902 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.044 -12.883 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.999 -11.901 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.599 -13.152 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.413 -14.372 4.906 1.00 0.00 H new ATOM 63 N SER A 5 7.453 -9.378 4.806 1.00 0.00 N ATOM 64 CA SER A 5 7.504 -8.063 5.501 1.00 0.00 C ATOM 65 C SER A 5 6.713 -7.043 4.687 1.00 0.00 C ATOM 66 O SER A 5 6.005 -6.216 5.228 1.00 0.00 O ATOM 67 CB SER A 5 8.957 -7.604 5.626 1.00 0.00 C ATOM 68 OG SER A 5 9.554 -8.238 6.751 1.00 0.00 O ATOM 0 H SER A 5 8.279 -9.610 4.254 1.00 0.00 H new ATOM 0 HA SER A 5 7.072 -8.155 6.498 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.508 -7.852 4.719 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.000 -6.521 5.739 1.00 0.00 H new ATOM 0 HG SER A 5 10.486 -7.948 6.834 1.00 0.00 H new ATOM 74 N CYS A 6 6.821 -7.097 3.389 1.00 0.00 N ATOM 75 CA CYS A 6 6.063 -6.133 2.547 1.00 0.00 C ATOM 76 C CYS A 6 4.577 -6.260 2.870 1.00 0.00 C ATOM 77 O CYS A 6 3.805 -5.341 2.675 1.00 0.00 O ATOM 78 CB CYS A 6 6.296 -6.451 1.070 1.00 0.00 C ATOM 79 SG CYS A 6 7.162 -5.068 0.290 1.00 0.00 S ATOM 0 H CYS A 6 7.399 -7.764 2.877 1.00 0.00 H new ATOM 0 HA CYS A 6 6.400 -5.117 2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.882 -7.364 0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.344 -6.628 0.570 1.00 0.00 H new ATOM 84 N LEU A 7 4.172 -7.395 3.370 1.00 0.00 N ATOM 85 CA LEU A 7 2.739 -7.591 3.715 1.00 0.00 C ATOM 86 C LEU A 7 2.573 -7.469 5.230 1.00 0.00 C ATOM 87 O LEU A 7 1.521 -7.120 5.726 1.00 0.00 O ATOM 88 CB LEU A 7 2.290 -8.966 3.231 1.00 0.00 C ATOM 89 CG LEU A 7 2.531 -9.055 1.723 1.00 0.00 C ATOM 90 CD1 LEU A 7 2.108 -10.432 1.207 1.00 0.00 C ATOM 91 CD2 LEU A 7 1.714 -7.968 1.022 1.00 0.00 C ATOM 0 H LEU A 7 4.775 -8.197 3.554 1.00 0.00 H new ATOM 0 HA LEU A 7 2.123 -6.833 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.843 -9.749 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.234 -9.120 3.455 1.00 0.00 H new ATOM 0 HG LEU A 7 3.591 -8.911 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.283 -10.487 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.691 -11.204 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.049 -10.587 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.880 -8.025 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.655 -8.115 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.024 -6.988 1.386 1.00 0.00 H new ATOM 103 N ALA A 8 3.626 -7.705 5.963 1.00 0.00 N ATOM 104 CA ALA A 8 3.557 -7.550 7.442 1.00 0.00 C ATOM 105 C ALA A 8 3.612 -6.049 7.752 1.00 0.00 C ATOM 106 O ALA A 8 3.517 -5.626 8.887 1.00 0.00 O ATOM 107 CB ALA A 8 4.745 -8.258 8.097 1.00 0.00 C ATOM 0 H ALA A 8 4.533 -7.999 5.600 1.00 0.00 H new ATOM 0 HA ALA A 8 2.639 -7.991 7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.687 -8.140 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.720 -9.318 7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.675 -7.821 7.733 1.00 0.00 H new ATOM 113 N LYS A 9 3.763 -5.257 6.719 1.00 0.00 N ATOM 114 CA LYS A 9 3.820 -3.777 6.846 1.00 0.00 C ATOM 115 C LYS A 9 2.717 -3.285 7.794 1.00 0.00 C ATOM 116 O LYS A 9 1.955 -4.074 8.313 1.00 0.00 O ATOM 117 CB LYS A 9 3.578 -3.222 5.438 1.00 0.00 C ATOM 118 CG LYS A 9 4.914 -2.858 4.790 1.00 0.00 C ATOM 119 CD LYS A 9 4.661 -2.245 3.411 1.00 0.00 C ATOM 120 CE LYS A 9 5.878 -1.420 2.983 1.00 0.00 C ATOM 121 NZ LYS A 9 6.351 -0.592 4.129 1.00 0.00 N ATOM 0 H LYS A 9 3.852 -5.594 5.760 1.00 0.00 H new ATOM 0 HA LYS A 9 4.778 -3.449 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.058 -3.962 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.936 -2.343 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.456 -2.152 5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.539 -3.746 4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.468 -3.032 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.773 -1.613 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.677 -2.080 2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.617 -0.778 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.845 0.249 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.536 -0.296 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.003 -1.151 4.716 1.00 0.00 H new ATOM 135 N PRO A 10 2.634 -1.983 7.965 1.00 0.00 N ATOM 136 CA PRO A 10 1.597 -1.379 8.818 1.00 0.00 C ATOM 137 C PRO A 10 0.246 -1.467 8.098 1.00 0.00 C ATOM 138 O PRO A 10 -0.778 -1.069 8.614 1.00 0.00 O ATOM 139 CB PRO A 10 2.071 0.065 9.007 1.00 0.00 C ATOM 140 CG PRO A 10 3.038 0.362 7.839 1.00 0.00 C ATOM 141 CD PRO A 10 3.540 -1.002 7.325 1.00 0.00 C ATOM 0 HA PRO A 10 1.459 -1.873 9.780 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.227 0.755 8.998 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.572 0.187 9.967 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.531 0.912 7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.871 0.980 8.173 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.489 -1.062 6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.579 -1.176 7.605 1.00 0.00 H new ATOM 149 N HIS A 11 0.257 -2.023 6.913 1.00 0.00 N ATOM 150 CA HIS A 11 -0.981 -2.212 6.118 1.00 0.00 C ATOM 151 C HIS A 11 -1.497 -0.909 5.531 1.00 0.00 C ATOM 152 O HIS A 11 -1.140 0.182 5.928 1.00 0.00 O ATOM 153 CB HIS A 11 -2.081 -2.853 6.963 1.00 0.00 C ATOM 154 CG HIS A 11 -2.095 -4.337 6.705 1.00 0.00 C ATOM 155 ND1 HIS A 11 -3.274 -5.042 6.524 1.00 0.00 N ATOM 156 CD2 HIS A 11 -1.083 -5.264 6.591 1.00 0.00 C ATOM 157 CE1 HIS A 11 -2.948 -6.330 6.313 1.00 0.00 C ATOM 158 NE2 HIS A 11 -1.626 -6.521 6.344 1.00 0.00 N ATOM 0 H HIS A 11 1.103 -2.362 6.455 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.717 -2.875 5.294 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.906 -2.656 8.021 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.049 -2.418 6.714 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.029 -5.048 6.680 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.669 -7.116 6.139 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.123 -7.399 6.215 1.00 0.00 H new ATOM 166 N THR A 12 -2.354 -1.078 4.575 1.00 0.00 N ATOM 167 CA THR A 12 -3.009 0.029 3.840 1.00 0.00 C ATOM 168 C THR A 12 -2.825 1.406 4.498 1.00 0.00 C ATOM 169 O THR A 12 -2.396 2.335 3.847 1.00 0.00 O ATOM 170 CB THR A 12 -4.485 -0.359 3.717 1.00 0.00 C ATOM 171 OG1 THR A 12 -5.015 0.056 2.478 1.00 0.00 O ATOM 172 CG2 THR A 12 -5.301 0.239 4.863 1.00 0.00 C ATOM 0 H THR A 12 -2.645 -2.001 4.254 1.00 0.00 H new ATOM 0 HA THR A 12 -2.543 0.151 2.862 1.00 0.00 H new ATOM 0 HB THR A 12 -4.548 -1.446 3.773 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.859 -0.413 2.310 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.346 -0.050 4.755 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.919 -0.132 5.814 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.221 1.326 4.839 1.00 0.00 H new ATOM 180 N GLU A 13 -3.151 1.570 5.750 1.00 0.00 N ATOM 181 CA GLU A 13 -2.990 2.921 6.365 1.00 0.00 C ATOM 182 C GLU A 13 -1.652 3.527 5.933 1.00 0.00 C ATOM 183 O GLU A 13 -0.610 3.239 6.487 1.00 0.00 O ATOM 184 CB GLU A 13 -3.045 2.817 7.889 1.00 0.00 C ATOM 185 CG GLU A 13 -3.058 4.223 8.492 1.00 0.00 C ATOM 186 CD GLU A 13 -4.160 4.314 9.550 1.00 0.00 C ATOM 187 OE1 GLU A 13 -5.089 3.527 9.480 1.00 0.00 O ATOM 188 OE2 GLU A 13 -4.055 5.171 10.414 1.00 0.00 O ATOM 0 H GLU A 13 -3.515 0.843 6.366 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.803 3.564 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.936 2.269 8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.185 2.259 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.090 4.447 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.227 4.964 7.711 1.00 0.00 H new ATOM 195 N ASN A 14 -1.688 4.359 4.928 1.00 0.00 N ATOM 196 CA ASN A 14 -0.448 4.997 4.411 1.00 0.00 C ATOM 197 C ASN A 14 -0.791 5.685 3.093 1.00 0.00 C ATOM 198 O ASN A 14 -1.935 6.009 2.839 1.00 0.00 O ATOM 199 CB ASN A 14 0.620 3.929 4.163 1.00 0.00 C ATOM 200 CG ASN A 14 1.755 4.096 5.175 1.00 0.00 C ATOM 201 OD1 ASN A 14 1.877 3.322 6.104 1.00 0.00 O ATOM 202 ND2 ASN A 14 2.598 5.082 5.033 1.00 0.00 N ATOM 0 H ASN A 14 -2.541 4.627 4.436 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.064 5.717 5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.182 2.935 4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.008 4.016 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.359 5.203 5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.496 5.732 4.253 1.00 0.00 H new ATOM 209 N SER A 15 0.169 5.910 2.243 1.00 0.00 N ATOM 210 CA SER A 15 -0.163 6.570 0.959 1.00 0.00 C ATOM 211 C SER A 15 1.063 6.627 0.055 1.00 0.00 C ATOM 212 O SER A 15 2.068 5.989 0.299 1.00 0.00 O ATOM 213 CB SER A 15 -0.654 7.986 1.243 1.00 0.00 C ATOM 214 OG SER A 15 0.244 8.619 2.146 1.00 0.00 O ATOM 0 H SER A 15 1.151 5.670 2.380 1.00 0.00 H new ATOM 0 HA SER A 15 -0.940 5.998 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.717 8.555 0.315 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.657 7.958 1.669 1.00 0.00 H new ATOM 0 HG SER A 15 -0.066 9.530 2.331 1.00 0.00 H new ATOM 220 N PHE A 16 0.975 7.387 -1.000 1.00 0.00 N ATOM 221 CA PHE A 16 2.115 7.495 -1.942 1.00 0.00 C ATOM 222 C PHE A 16 1.706 8.416 -3.098 1.00 0.00 C ATOM 223 O PHE A 16 0.557 8.448 -3.498 1.00 0.00 O ATOM 224 CB PHE A 16 2.446 6.100 -2.474 1.00 0.00 C ATOM 225 CG PHE A 16 3.281 6.200 -3.728 1.00 0.00 C ATOM 226 CD1 PHE A 16 4.596 6.675 -3.660 1.00 0.00 C ATOM 227 CD2 PHE A 16 2.740 5.809 -4.958 1.00 0.00 C ATOM 228 CE1 PHE A 16 5.370 6.761 -4.824 1.00 0.00 C ATOM 229 CE2 PHE A 16 3.514 5.893 -6.120 1.00 0.00 C ATOM 230 CZ PHE A 16 4.830 6.369 -6.054 1.00 0.00 C ATOM 0 H PHE A 16 0.155 7.941 -1.249 1.00 0.00 H new ATOM 0 HA PHE A 16 2.992 7.907 -1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.985 5.533 -1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.525 5.556 -2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.014 6.975 -2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.725 5.443 -5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.384 7.130 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.097 5.591 -7.069 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.427 6.433 -6.952 1.00 0.00 H new ATOM 240 N THR A 17 2.623 9.168 -3.644 1.00 0.00 N ATOM 241 CA THR A 17 2.250 10.072 -4.772 1.00 0.00 C ATOM 242 C THR A 17 2.729 9.465 -6.087 1.00 0.00 C ATOM 243 O THR A 17 3.385 8.449 -6.104 1.00 0.00 O ATOM 244 CB THR A 17 2.859 11.469 -4.578 1.00 0.00 C ATOM 245 OG1 THR A 17 3.483 11.888 -5.788 1.00 0.00 O ATOM 246 CG2 THR A 17 3.891 11.447 -3.444 1.00 0.00 C ATOM 0 H THR A 17 3.603 9.197 -3.363 1.00 0.00 H new ATOM 0 HA THR A 17 1.165 10.178 -4.794 1.00 0.00 H new ATOM 0 HB THR A 17 2.065 12.168 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.870 12.780 -5.665 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.314 12.444 -3.318 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.407 11.138 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.686 10.743 -3.690 1.00 0.00 H new ATOM 254 N ASN A 18 2.382 10.060 -7.196 1.00 0.00 N ATOM 255 CA ASN A 18 2.797 9.476 -8.499 1.00 0.00 C ATOM 256 C ASN A 18 2.138 8.100 -8.624 1.00 0.00 C ATOM 257 O ASN A 18 2.523 7.278 -9.431 1.00 0.00 O ATOM 258 CB ASN A 18 4.321 9.320 -8.539 1.00 0.00 C ATOM 259 CG ASN A 18 4.981 10.624 -8.090 1.00 0.00 C ATOM 260 OD1 ASN A 18 6.091 10.618 -7.596 1.00 0.00 O ATOM 261 ND2 ASN A 18 4.343 11.752 -8.246 1.00 0.00 N ATOM 0 H ASN A 18 1.834 10.918 -7.255 1.00 0.00 H new ATOM 0 HA ASN A 18 2.493 10.125 -9.320 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.630 8.501 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.644 9.065 -9.548 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.776 12.628 -7.953 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.411 11.758 -8.661 1.00 0.00 H new ATOM 268 N VAL A 19 1.147 7.853 -7.808 1.00 0.00 N ATOM 269 CA VAL A 19 0.441 6.543 -7.831 1.00 0.00 C ATOM 270 C VAL A 19 0.218 6.071 -9.268 1.00 0.00 C ATOM 271 O VAL A 19 0.294 6.834 -10.210 1.00 0.00 O ATOM 272 CB VAL A 19 -0.916 6.705 -7.149 1.00 0.00 C ATOM 273 CG1 VAL A 19 -1.507 5.329 -6.846 1.00 0.00 C ATOM 274 CG2 VAL A 19 -0.742 7.487 -5.846 1.00 0.00 C ATOM 0 H VAL A 19 0.794 8.515 -7.117 1.00 0.00 H new ATOM 0 HA VAL A 19 1.051 5.805 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.591 7.248 -7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.475 5.448 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.634 4.775 -7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.834 4.781 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.710 7.603 -5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.066 6.946 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.326 8.470 -6.065 1.00 0.00 H new ATOM 284 N TRP A 20 -0.081 4.810 -9.428 1.00 0.00 N ATOM 285 CA TRP A 20 -0.342 4.258 -10.784 1.00 0.00 C ATOM 286 C TRP A 20 -1.484 3.240 -10.674 1.00 0.00 C ATOM 287 O TRP A 20 -2.013 3.002 -9.605 1.00 0.00 O ATOM 288 CB TRP A 20 0.943 3.598 -11.341 1.00 0.00 C ATOM 289 CG TRP A 20 0.908 2.102 -11.181 1.00 0.00 C ATOM 290 CD1 TRP A 20 0.336 1.238 -12.053 1.00 0.00 C ATOM 291 CD2 TRP A 20 1.465 1.286 -10.110 1.00 0.00 C ATOM 292 NE1 TRP A 20 0.480 -0.050 -11.573 1.00 0.00 N ATOM 293 CE2 TRP A 20 1.179 -0.074 -10.384 1.00 0.00 C ATOM 294 CE3 TRP A 20 2.179 1.592 -8.938 1.00 0.00 C ATOM 295 CZ2 TRP A 20 1.588 -1.093 -9.524 1.00 0.00 C ATOM 296 CZ3 TRP A 20 2.593 0.567 -8.072 1.00 0.00 C ATOM 297 CH2 TRP A 20 2.298 -0.772 -8.365 1.00 0.00 C ATOM 0 H TRP A 20 -0.156 4.134 -8.668 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.630 5.052 -11.473 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.055 3.850 -12.396 1.00 0.00 H new ATOM 0 HB3 TRP A 20 1.814 4.000 -10.823 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.154 1.512 -12.976 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.115 -0.880 -12.040 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.410 2.620 -8.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.357 -2.123 -9.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.142 0.812 -7.175 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.620 -1.555 -7.694 1.00 0.00 H new ATOM 308 N LYS A 21 -1.852 2.628 -11.757 1.00 0.00 N ATOM 309 CA LYS A 21 -2.937 1.614 -11.709 1.00 0.00 C ATOM 310 C LYS A 21 -2.633 0.519 -12.726 1.00 0.00 C ATOM 311 O LYS A 21 -2.402 0.786 -13.889 1.00 0.00 O ATOM 312 CB LYS A 21 -4.279 2.261 -12.047 1.00 0.00 C ATOM 313 CG LYS A 21 -5.396 1.256 -11.771 1.00 0.00 C ATOM 314 CD LYS A 21 -6.451 1.349 -12.875 1.00 0.00 C ATOM 315 CE LYS A 21 -6.101 0.371 -13.998 1.00 0.00 C ATOM 316 NZ LYS A 21 -6.677 -0.969 -13.688 1.00 0.00 N ATOM 0 H LYS A 21 -1.447 2.786 -12.680 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.993 1.191 -10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.425 3.161 -11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.297 2.567 -13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.988 0.246 -11.727 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.850 1.459 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.437 1.118 -12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.496 2.366 -13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.492 0.736 -14.948 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.019 0.297 -14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.901 -1.464 -14.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.987 -1.526 -13.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.545 -0.852 -13.128 1.00 0.00 H new ATOM 330 N ASP A 22 -2.613 -0.711 -12.301 1.00 0.00 N ATOM 331 CA ASP A 22 -2.306 -1.808 -13.243 1.00 0.00 C ATOM 332 C ASP A 22 -3.577 -2.577 -13.586 1.00 0.00 C ATOM 333 O ASP A 22 -4.372 -2.914 -12.720 1.00 0.00 O ATOM 334 CB ASP A 22 -1.309 -2.761 -12.588 1.00 0.00 C ATOM 335 CG ASP A 22 -0.031 -2.821 -13.427 1.00 0.00 C ATOM 336 OD1 ASP A 22 -0.139 -2.759 -14.641 1.00 0.00 O ATOM 337 OD2 ASP A 22 1.035 -2.925 -12.842 1.00 0.00 O ATOM 0 H ASP A 22 -2.797 -1.000 -11.340 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.884 -1.388 -14.156 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.078 -2.424 -11.578 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.745 -3.756 -12.500 1.00 0.00 H new ATOM 342 N ASP A 23 -3.751 -2.888 -14.842 1.00 0.00 N ATOM 343 CA ASP A 23 -4.934 -3.679 -15.261 1.00 0.00 C ATOM 344 C ASP A 23 -4.573 -5.150 -15.065 1.00 0.00 C ATOM 345 O ASP A 23 -5.423 -6.005 -14.917 1.00 0.00 O ATOM 346 CB ASP A 23 -5.244 -3.413 -16.736 1.00 0.00 C ATOM 347 CG ASP A 23 -6.748 -3.199 -16.910 1.00 0.00 C ATOM 348 OD1 ASP A 23 -7.505 -3.927 -16.287 1.00 0.00 O ATOM 349 OD2 ASP A 23 -7.117 -2.313 -17.662 1.00 0.00 O ATOM 0 H ASP A 23 -3.118 -2.625 -15.597 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.813 -3.408 -14.676 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.699 -2.534 -17.081 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.912 -4.253 -17.346 1.00 0.00 H new ATOM 354 N LYS A 24 -3.294 -5.432 -15.036 1.00 0.00 N ATOM 355 CA LYS A 24 -2.823 -6.822 -14.817 1.00 0.00 C ATOM 356 C LYS A 24 -3.079 -7.165 -13.358 1.00 0.00 C ATOM 357 O LYS A 24 -3.728 -8.140 -13.034 1.00 0.00 O ATOM 358 CB LYS A 24 -1.322 -6.880 -15.095 1.00 0.00 C ATOM 359 CG LYS A 24 -1.083 -7.073 -16.594 1.00 0.00 C ATOM 360 CD LYS A 24 0.099 -8.022 -16.806 1.00 0.00 C ATOM 361 CE LYS A 24 -0.325 -9.452 -16.472 1.00 0.00 C ATOM 362 NZ LYS A 24 0.373 -9.901 -15.234 1.00 0.00 N ATOM 0 H LYS A 24 -2.551 -4.744 -15.157 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.340 -7.523 -15.473 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.844 -5.961 -14.756 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.870 -7.700 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.978 -7.479 -17.066 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.881 -6.112 -17.067 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.443 -7.966 -17.839 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.936 -7.723 -16.175 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.405 -9.499 -16.331 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.083 -10.117 -17.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.606 -10.911 -15.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.248 -9.353 -15.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.247 -9.752 -14.412 1.00 0.00 H new ATOM 376 N THR A 25 -2.594 -6.338 -12.476 1.00 0.00 N ATOM 377 CA THR A 25 -2.827 -6.570 -11.028 1.00 0.00 C ATOM 378 C THR A 25 -4.304 -6.317 -10.757 1.00 0.00 C ATOM 379 O THR A 25 -4.920 -6.950 -9.923 1.00 0.00 O ATOM 380 CB THR A 25 -1.980 -5.593 -10.206 1.00 0.00 C ATOM 381 OG1 THR A 25 -2.301 -4.261 -10.585 1.00 0.00 O ATOM 382 CG2 THR A 25 -0.495 -5.854 -10.465 1.00 0.00 C ATOM 0 H THR A 25 -2.044 -5.508 -12.699 1.00 0.00 H new ATOM 0 HA THR A 25 -2.551 -7.588 -10.752 1.00 0.00 H new ATOM 0 HB THR A 25 -2.189 -5.733 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.099 -3.652 -9.844 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.104 -5.157 -9.879 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.249 -6.876 -10.176 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.280 -5.715 -11.525 1.00 0.00 H new ATOM 390 N LEU A 26 -4.877 -5.396 -11.482 1.00 0.00 N ATOM 391 CA LEU A 26 -6.320 -5.093 -11.301 1.00 0.00 C ATOM 392 C LEU A 26 -6.540 -4.369 -9.977 1.00 0.00 C ATOM 393 O LEU A 26 -7.147 -4.901 -9.069 1.00 0.00 O ATOM 394 CB LEU A 26 -7.103 -6.404 -11.292 1.00 0.00 C ATOM 395 CG LEU A 26 -8.149 -6.379 -12.407 1.00 0.00 C ATOM 396 CD1 LEU A 26 -8.842 -7.739 -12.483 1.00 0.00 C ATOM 397 CD2 LEU A 26 -9.187 -5.295 -12.104 1.00 0.00 C ATOM 0 H LEU A 26 -4.404 -4.840 -12.194 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.661 -4.456 -12.117 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.425 -7.246 -11.433 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.588 -6.544 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.664 -6.164 -13.359 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.588 -7.723 -13.277 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.103 -8.512 -12.694 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.329 -7.953 -11.532 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.934 -5.275 -12.897 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.673 -5.513 -11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.694 -4.325 -12.046 1.00 0.00 H new ATOM 409 N ASP A 27 -6.061 -3.162 -9.847 1.00 0.00 N ATOM 410 CA ASP A 27 -6.271 -2.440 -8.558 1.00 0.00 C ATOM 411 C ASP A 27 -5.380 -1.200 -8.482 1.00 0.00 C ATOM 412 O ASP A 27 -4.460 -1.039 -9.258 1.00 0.00 O ATOM 413 CB ASP A 27 -5.912 -3.382 -7.408 1.00 0.00 C ATOM 414 CG ASP A 27 -7.151 -3.634 -6.548 1.00 0.00 C ATOM 415 OD1 ASP A 27 -8.009 -2.768 -6.509 1.00 0.00 O ATOM 416 OD2 ASP A 27 -7.221 -4.691 -5.942 1.00 0.00 O ATOM 0 H ASP A 27 -5.543 -2.651 -10.562 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.313 -2.126 -8.491 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.532 -4.325 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.118 -2.946 -6.802 1.00 0.00 H new ATOM 421 N ARG A 28 -5.629 -0.331 -7.533 1.00 0.00 N ATOM 422 CA ARG A 28 -4.771 0.875 -7.399 1.00 0.00 C ATOM 423 C ARG A 28 -3.484 0.442 -6.706 1.00 0.00 C ATOM 424 O ARG A 28 -3.494 -0.454 -5.887 1.00 0.00 O ATOM 425 CB ARG A 28 -5.490 1.926 -6.553 1.00 0.00 C ATOM 426 CG ARG A 28 -4.974 3.321 -6.915 1.00 0.00 C ATOM 427 CD ARG A 28 -5.568 3.752 -8.256 1.00 0.00 C ATOM 428 NE ARG A 28 -7.056 3.724 -8.171 1.00 0.00 N ATOM 429 CZ ARG A 28 -7.737 4.832 -8.271 1.00 0.00 C ATOM 430 NH1 ARG A 28 -7.326 5.782 -9.066 1.00 0.00 N ATOM 431 NH2 ARG A 28 -8.830 4.989 -7.575 1.00 0.00 N ATOM 0 H ARG A 28 -6.385 -0.408 -6.852 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.555 1.309 -8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.565 1.870 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.324 1.730 -5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.248 4.035 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.886 3.314 -6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.226 4.755 -8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.226 3.087 -9.049 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.542 2.838 -8.035 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.472 5.658 -9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.859 6.648 -9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.150 4.246 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.364 5.855 -7.652 1.00 0.00 H new ATOM 445 N TYR A 29 -2.371 1.033 -7.029 1.00 0.00 N ATOM 446 CA TYR A 29 -1.114 0.588 -6.372 1.00 0.00 C ATOM 447 C TYR A 29 -0.162 1.762 -6.164 1.00 0.00 C ATOM 448 O TYR A 29 -0.181 2.739 -6.888 1.00 0.00 O ATOM 449 CB TYR A 29 -0.442 -0.464 -7.252 1.00 0.00 C ATOM 450 CG TYR A 29 -1.301 -1.705 -7.291 1.00 0.00 C ATOM 451 CD1 TYR A 29 -1.239 -2.633 -6.244 1.00 0.00 C ATOM 452 CD2 TYR A 29 -2.160 -1.929 -8.373 1.00 0.00 C ATOM 453 CE1 TYR A 29 -2.036 -3.783 -6.280 1.00 0.00 C ATOM 454 CE2 TYR A 29 -2.957 -3.079 -8.408 1.00 0.00 C ATOM 455 CZ TYR A 29 -2.895 -4.005 -7.361 1.00 0.00 C ATOM 456 OH TYR A 29 -3.679 -5.141 -7.397 1.00 0.00 O ATOM 0 H TYR A 29 -2.276 1.790 -7.706 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.356 0.167 -5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.300 -0.074 -8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.547 -0.704 -6.861 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.576 -2.461 -5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.208 -1.214 -9.181 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.988 -4.499 -5.473 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.620 -3.252 -9.243 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.190 -5.212 -6.564 1.00 0.00 H new ATOM 466 N ALA A 30 0.683 1.658 -5.174 1.00 0.00 N ATOM 467 CA ALA A 30 1.661 2.745 -4.896 1.00 0.00 C ATOM 468 C ALA A 30 3.055 2.128 -4.759 1.00 0.00 C ATOM 469 O ALA A 30 3.309 1.339 -3.872 1.00 0.00 O ATOM 470 CB ALA A 30 1.281 3.451 -3.596 1.00 0.00 C ATOM 0 H ALA A 30 0.737 0.859 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 30 1.656 3.470 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.997 4.247 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.282 3.877 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.292 2.734 -2.776 1.00 0.00 H new ATOM 476 N ASN A 31 3.956 2.473 -5.637 1.00 0.00 N ATOM 477 CA ASN A 31 5.327 1.894 -5.563 1.00 0.00 C ATOM 478 C ASN A 31 6.125 2.579 -4.453 1.00 0.00 C ATOM 479 O ASN A 31 6.665 3.651 -4.635 1.00 0.00 O ATOM 480 CB ASN A 31 6.043 2.096 -6.900 1.00 0.00 C ATOM 481 CG ASN A 31 6.063 3.586 -7.248 1.00 0.00 C ATOM 482 OD1 ASN A 31 6.963 4.302 -6.856 1.00 0.00 O ATOM 483 ND2 ASN A 31 5.101 4.087 -7.974 1.00 0.00 N ATOM 0 H ASN A 31 3.802 3.130 -6.402 1.00 0.00 H new ATOM 0 HA ASN A 31 5.250 0.829 -5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.061 1.712 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.536 1.535 -7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.105 5.079 -8.212 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.345 3.487 -8.304 1.00 0.00 H new ATOM 490 N TYR A 32 6.214 1.965 -3.304 1.00 0.00 N ATOM 491 CA TYR A 32 6.990 2.581 -2.195 1.00 0.00 C ATOM 492 C TYR A 32 8.453 2.150 -2.309 1.00 0.00 C ATOM 493 O TYR A 32 9.022 1.621 -1.376 1.00 0.00 O ATOM 494 CB TYR A 32 6.426 2.122 -0.848 1.00 0.00 C ATOM 495 CG TYR A 32 7.212 2.766 0.270 1.00 0.00 C ATOM 496 CD1 TYR A 32 7.629 4.098 0.154 1.00 0.00 C ATOM 497 CD2 TYR A 32 7.525 2.032 1.420 1.00 0.00 C ATOM 498 CE1 TYR A 32 8.358 4.695 1.189 1.00 0.00 C ATOM 499 CE2 TYR A 32 8.253 2.630 2.455 1.00 0.00 C ATOM 500 CZ TYR A 32 8.670 3.962 2.340 1.00 0.00 C ATOM 501 OH TYR A 32 9.390 4.551 3.360 1.00 0.00 O ATOM 0 H TYR A 32 5.783 1.066 -3.088 1.00 0.00 H new ATOM 0 HA TYR A 32 6.918 3.667 -2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.373 2.393 -0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.482 1.036 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.388 4.664 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.205 1.004 1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.680 5.722 1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.493 2.064 3.343 1.00 0.00 H new ATOM 0 HH TYR A 32 9.519 3.904 4.085 1.00 0.00 H new ATOM 511 N GLU A 33 9.049 2.380 -3.456 1.00 0.00 N ATOM 512 CA GLU A 33 10.482 2.003 -3.684 1.00 0.00 C ATOM 513 C GLU A 33 10.878 0.820 -2.801 1.00 0.00 C ATOM 514 O GLU A 33 11.469 0.985 -1.752 1.00 0.00 O ATOM 515 CB GLU A 33 11.380 3.198 -3.359 1.00 0.00 C ATOM 516 CG GLU A 33 12.695 3.075 -4.133 1.00 0.00 C ATOM 517 CD GLU A 33 13.688 4.121 -3.625 1.00 0.00 C ATOM 518 OE1 GLU A 33 13.374 4.780 -2.648 1.00 0.00 O ATOM 519 OE2 GLU A 33 14.744 4.245 -4.223 1.00 0.00 O ATOM 0 H GLU A 33 8.595 2.820 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 33 10.604 1.716 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.876 4.128 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.579 3.236 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.110 2.075 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.516 3.216 -5.199 1.00 0.00 H new ATOM 526 N GLY A 34 10.557 -0.371 -3.213 1.00 0.00 N ATOM 527 CA GLY A 34 10.914 -1.558 -2.391 1.00 0.00 C ATOM 528 C GLY A 34 9.644 -2.332 -2.045 1.00 0.00 C ATOM 529 O GLY A 34 9.638 -3.546 -2.015 1.00 0.00 O ATOM 0 H GLY A 34 10.064 -0.575 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.606 -2.198 -2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.422 -1.244 -1.479 1.00 0.00 H new ATOM 533 N CYS A 35 8.565 -1.644 -1.786 1.00 0.00 N ATOM 534 CA CYS A 35 7.301 -2.358 -1.445 1.00 0.00 C ATOM 535 C CYS A 35 6.178 -1.898 -2.376 1.00 0.00 C ATOM 536 O CYS A 35 6.330 -0.963 -3.135 1.00 0.00 O ATOM 537 CB CYS A 35 6.916 -2.063 0.006 1.00 0.00 C ATOM 538 SG CYS A 35 5.994 -3.466 0.682 1.00 0.00 S ATOM 0 H CYS A 35 8.504 -0.626 -1.795 1.00 0.00 H new ATOM 0 HA CYS A 35 7.453 -3.430 -1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.811 -1.881 0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.311 -1.158 0.056 1.00 0.00 H new ATOM 543 N LEU A 36 5.049 -2.554 -2.327 1.00 0.00 N ATOM 544 CA LEU A 36 3.922 -2.157 -3.211 1.00 0.00 C ATOM 545 C LEU A 36 2.611 -2.207 -2.438 1.00 0.00 C ATOM 546 O LEU A 36 2.192 -3.254 -1.975 1.00 0.00 O ATOM 547 CB LEU A 36 3.835 -3.114 -4.397 1.00 0.00 C ATOM 548 CG LEU A 36 3.222 -2.388 -5.595 1.00 0.00 C ATOM 549 CD1 LEU A 36 1.771 -2.018 -5.285 1.00 0.00 C ATOM 550 CD2 LEU A 36 4.025 -1.117 -5.883 1.00 0.00 C ATOM 0 H LEU A 36 4.862 -3.346 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 36 4.097 -1.142 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.828 -3.485 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.229 -3.981 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 36 3.248 -3.041 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.337 -1.501 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.200 -2.924 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.740 -1.365 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.590 -0.597 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.000 -0.465 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.058 -1.382 -6.108 1.00 0.00 H new ATOM 562 N TRP A 37 1.955 -1.082 -2.318 1.00 0.00 N ATOM 563 CA TRP A 37 0.656 -1.040 -1.597 1.00 0.00 C ATOM 564 C TRP A 37 -0.483 -1.126 -2.622 1.00 0.00 C ATOM 565 O TRP A 37 -0.251 -1.136 -3.814 1.00 0.00 O ATOM 566 CB TRP A 37 0.543 0.269 -0.809 1.00 0.00 C ATOM 567 CG TRP A 37 1.750 0.449 0.053 1.00 0.00 C ATOM 568 CD1 TRP A 37 3.007 0.662 -0.396 1.00 0.00 C ATOM 569 CD2 TRP A 37 1.830 0.440 1.509 1.00 0.00 C ATOM 570 NE1 TRP A 37 3.855 0.785 0.691 1.00 0.00 N ATOM 571 CE2 TRP A 37 3.175 0.653 1.886 1.00 0.00 C ATOM 572 CE3 TRP A 37 0.874 0.267 2.529 1.00 0.00 C ATOM 573 CZ2 TRP A 37 3.561 0.695 3.227 1.00 0.00 C ATOM 574 CZ3 TRP A 37 1.259 0.307 3.877 1.00 0.00 C ATOM 575 CH2 TRP A 37 2.600 0.520 4.227 1.00 0.00 C ATOM 0 H TRP A 37 2.269 -0.187 -2.692 1.00 0.00 H new ATOM 0 HA TRP A 37 0.593 -1.878 -0.902 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.447 1.110 -1.496 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.356 0.256 -0.193 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.301 0.726 -1.433 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.859 0.953 0.619 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.162 0.103 2.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.595 0.862 3.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.518 0.173 4.651 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.890 0.549 5.267 1.00 0.00 H new ATOM 586 N ASN A 38 -1.708 -1.194 -2.171 1.00 0.00 N ATOM 587 CA ASN A 38 -2.850 -1.289 -3.130 1.00 0.00 C ATOM 588 C ASN A 38 -4.020 -0.433 -2.629 1.00 0.00 C ATOM 589 O ASN A 38 -4.606 -0.707 -1.595 1.00 0.00 O ATOM 590 CB ASN A 38 -3.269 -2.770 -3.259 1.00 0.00 C ATOM 591 CG ASN A 38 -4.796 -2.919 -3.333 1.00 0.00 C ATOM 592 OD1 ASN A 38 -5.366 -3.774 -2.683 1.00 0.00 O ATOM 593 ND2 ASN A 38 -5.484 -2.116 -4.097 1.00 0.00 N ATOM 0 H ASN A 38 -1.967 -1.188 -1.185 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.551 -0.916 -4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.817 -3.201 -4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.888 -3.332 -2.406 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.499 -2.206 -4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.007 -1.398 -4.643 1.00 0.00 H new ATOM 600 N ALA A 39 -4.372 0.588 -3.367 1.00 0.00 N ATOM 601 CA ALA A 39 -5.510 1.455 -2.953 1.00 0.00 C ATOM 602 C ALA A 39 -6.811 0.883 -3.521 1.00 0.00 C ATOM 603 O ALA A 39 -6.852 0.382 -4.636 1.00 0.00 O ATOM 604 CB ALA A 39 -5.300 2.874 -3.485 1.00 0.00 C ATOM 0 H ALA A 39 -3.918 0.857 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.566 1.486 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.135 3.504 -3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.372 3.280 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.243 2.850 -4.573 1.00 0.00 H new ATOM 610 N THR A 40 -7.869 0.946 -2.756 1.00 0.00 N ATOM 611 CA THR A 40 -9.169 0.399 -3.229 1.00 0.00 C ATOM 612 C THR A 40 -10.321 1.282 -2.735 1.00 0.00 C ATOM 613 O THR A 40 -11.198 1.653 -3.490 1.00 0.00 O ATOM 614 CB THR A 40 -9.345 -1.015 -2.673 1.00 0.00 C ATOM 615 OG1 THR A 40 -10.728 -1.327 -2.607 1.00 0.00 O ATOM 616 CG2 THR A 40 -8.732 -1.095 -1.270 1.00 0.00 C ATOM 0 H THR A 40 -7.886 1.355 -1.822 1.00 0.00 H new ATOM 0 HA THR A 40 -9.177 0.378 -4.319 1.00 0.00 H new ATOM 0 HB THR A 40 -8.843 -1.728 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.842 -2.233 -2.252 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.858 -2.103 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.670 -0.856 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.232 -0.383 -0.613 1.00 0.00 H new ATOM 624 N GLY A 41 -10.332 1.612 -1.471 1.00 0.00 N ATOM 625 CA GLY A 41 -11.432 2.461 -0.929 1.00 0.00 C ATOM 626 C GLY A 41 -11.233 3.913 -1.367 1.00 0.00 C ATOM 627 O GLY A 41 -10.430 4.205 -2.231 1.00 0.00 O ATOM 0 H GLY A 41 -9.626 1.330 -0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.395 2.094 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.448 2.399 0.159 1.00 0.00 H new ATOM 631 N VAL A 42 -11.958 4.826 -0.777 1.00 0.00 N ATOM 632 CA VAL A 42 -11.811 6.257 -1.161 1.00 0.00 C ATOM 633 C VAL A 42 -10.362 6.690 -0.942 1.00 0.00 C ATOM 634 O VAL A 42 -9.730 6.311 0.024 1.00 0.00 O ATOM 635 CB VAL A 42 -12.735 7.111 -0.295 1.00 0.00 C ATOM 636 CG1 VAL A 42 -12.558 8.587 -0.660 1.00 0.00 C ATOM 637 CG2 VAL A 42 -14.187 6.697 -0.539 1.00 0.00 C ATOM 0 H VAL A 42 -12.645 4.641 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.076 6.386 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.486 6.965 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.217 9.196 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.523 8.883 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.807 8.734 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.848 7.306 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.435 6.844 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.314 5.646 -0.279 1.00 0.00 H new ATOM 647 N VAL A 43 -9.827 7.478 -1.833 1.00 0.00 N ATOM 648 CA VAL A 43 -8.418 7.926 -1.672 1.00 0.00 C ATOM 649 C VAL A 43 -8.296 9.400 -2.068 1.00 0.00 C ATOM 650 O VAL A 43 -8.673 9.792 -3.155 1.00 0.00 O ATOM 651 CB VAL A 43 -7.515 7.082 -2.573 1.00 0.00 C ATOM 652 CG1 VAL A 43 -6.097 7.059 -1.999 1.00 0.00 C ATOM 653 CG2 VAL A 43 -8.058 5.653 -2.648 1.00 0.00 C ATOM 0 H VAL A 43 -10.304 7.830 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.116 7.807 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.495 7.516 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.454 6.457 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.709 8.076 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.116 6.627 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.414 5.052 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.080 5.219 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.067 5.668 -3.059 1.00 0.00 H new ATOM 663 N VAL A 44 -7.766 10.216 -1.199 1.00 0.00 N ATOM 664 CA VAL A 44 -7.611 11.662 -1.531 1.00 0.00 C ATOM 665 C VAL A 44 -6.678 11.798 -2.734 1.00 0.00 C ATOM 666 O VAL A 44 -5.473 11.780 -2.592 1.00 0.00 O ATOM 667 CB VAL A 44 -7.004 12.399 -0.335 1.00 0.00 C ATOM 668 CG1 VAL A 44 -6.672 13.840 -0.730 1.00 0.00 C ATOM 669 CG2 VAL A 44 -8.007 12.409 0.821 1.00 0.00 C ATOM 0 H VAL A 44 -7.433 9.945 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.585 12.092 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.092 11.890 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.240 14.361 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.957 13.836 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.583 14.350 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.575 12.934 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.919 12.916 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.242 11.384 1.108 1.00 0.00 H new ATOM 679 N CYS A 45 -7.220 11.927 -3.914 1.00 0.00 N ATOM 680 CA CYS A 45 -6.352 12.058 -5.120 1.00 0.00 C ATOM 681 C CYS A 45 -6.319 13.516 -5.576 1.00 0.00 C ATOM 682 O CYS A 45 -7.342 14.146 -5.758 1.00 0.00 O ATOM 683 CB CYS A 45 -6.903 11.177 -6.246 1.00 0.00 C ATOM 684 SG CYS A 45 -6.057 9.577 -6.225 1.00 0.00 S ATOM 0 H CYS A 45 -8.223 11.947 -4.096 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.340 11.737 -4.873 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.976 11.035 -6.120 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.757 11.665 -7.209 1.00 0.00 H new ATOM 689 N THR A 46 -5.145 14.057 -5.761 1.00 0.00 N ATOM 690 CA THR A 46 -5.033 15.474 -6.201 1.00 0.00 C ATOM 691 C THR A 46 -4.073 15.568 -7.392 1.00 0.00 C ATOM 692 O THR A 46 -3.251 14.692 -7.617 1.00 0.00 O ATOM 693 CB THR A 46 -4.496 16.321 -5.046 1.00 0.00 C ATOM 694 OG1 THR A 46 -4.506 17.692 -5.420 1.00 0.00 O ATOM 695 CG2 THR A 46 -3.066 15.888 -4.718 1.00 0.00 C ATOM 0 H THR A 46 -4.256 13.575 -5.625 1.00 0.00 H new ATOM 0 HA THR A 46 -6.015 15.841 -6.499 1.00 0.00 H new ATOM 0 HB THR A 46 -5.126 16.181 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.164 18.235 -4.680 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.683 16.491 -3.895 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.061 14.837 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.434 16.027 -5.595 1.00 0.00 H new ATOM 703 N GLY A 47 -4.174 16.626 -8.154 1.00 0.00 N ATOM 704 CA GLY A 47 -3.279 16.790 -9.333 1.00 0.00 C ATOM 705 C GLY A 47 -3.527 15.648 -10.311 1.00 0.00 C ATOM 706 O GLY A 47 -2.669 14.824 -10.545 1.00 0.00 O ATOM 0 H GLY A 47 -4.840 17.384 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.468 17.748 -9.818 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.236 16.793 -9.016 1.00 0.00 H new ATOM 710 N ASP A 48 -4.701 15.576 -10.871 1.00 0.00 N ATOM 711 CA ASP A 48 -4.994 14.461 -11.809 1.00 0.00 C ATOM 712 C ASP A 48 -4.957 13.151 -11.022 1.00 0.00 C ATOM 713 O ASP A 48 -4.916 12.077 -11.582 1.00 0.00 O ATOM 714 CB ASP A 48 -3.931 14.418 -12.904 1.00 0.00 C ATOM 715 CG ASP A 48 -3.612 15.843 -13.366 1.00 0.00 C ATOM 716 OD1 ASP A 48 -4.442 16.424 -14.047 1.00 0.00 O ATOM 717 OD2 ASP A 48 -2.544 16.327 -13.032 1.00 0.00 O ATOM 0 H ASP A 48 -5.464 16.236 -10.721 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.973 14.605 -12.266 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.028 13.935 -12.530 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.285 13.823 -13.746 1.00 0.00 H new ATOM 722 N GLU A 49 -4.964 13.250 -9.718 1.00 0.00 N ATOM 723 CA GLU A 49 -4.925 12.037 -8.856 1.00 0.00 C ATOM 724 C GLU A 49 -3.519 11.437 -8.853 1.00 0.00 C ATOM 725 O GLU A 49 -3.259 10.463 -8.174 1.00 0.00 O ATOM 726 CB GLU A 49 -5.928 10.996 -9.361 1.00 0.00 C ATOM 727 CG GLU A 49 -7.305 11.643 -9.518 1.00 0.00 C ATOM 728 CD GLU A 49 -8.390 10.621 -9.170 1.00 0.00 C ATOM 729 OE1 GLU A 49 -8.038 9.498 -8.852 1.00 0.00 O ATOM 730 OE2 GLU A 49 -9.554 10.981 -9.228 1.00 0.00 O ATOM 0 H GLU A 49 -4.996 14.134 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.192 12.326 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.595 10.589 -10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.985 10.162 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.387 12.513 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.438 11.997 -10.540 1.00 0.00 H new ATOM 737 N THR A 50 -2.605 12.003 -9.592 1.00 0.00 N ATOM 738 CA THR A 50 -1.227 11.443 -9.595 1.00 0.00 C ATOM 739 C THR A 50 -0.791 11.212 -8.152 1.00 0.00 C ATOM 740 O THR A 50 -0.126 10.244 -7.843 1.00 0.00 O ATOM 741 CB THR A 50 -0.261 12.412 -10.277 1.00 0.00 C ATOM 742 OG1 THR A 50 -0.680 13.748 -10.045 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.241 12.127 -11.778 1.00 0.00 C ATOM 0 H THR A 50 -2.751 12.819 -10.187 1.00 0.00 H new ATOM 0 HA THR A 50 -1.218 10.502 -10.145 1.00 0.00 H new ATOM 0 HB THR A 50 0.741 12.279 -9.868 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.310 14.019 -10.745 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.446 12.815 -12.270 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.087 11.102 -11.949 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.243 12.260 -12.187 1.00 0.00 H new ATOM 751 N GLN A 51 -1.177 12.082 -7.258 1.00 0.00 N ATOM 752 CA GLN A 51 -0.800 11.885 -5.834 1.00 0.00 C ATOM 753 C GLN A 51 -2.038 11.416 -5.083 1.00 0.00 C ATOM 754 O GLN A 51 -3.128 11.879 -5.339 1.00 0.00 O ATOM 755 CB GLN A 51 -0.308 13.200 -5.231 1.00 0.00 C ATOM 756 CG GLN A 51 0.463 13.996 -6.284 1.00 0.00 C ATOM 757 CD GLN A 51 1.011 15.277 -5.652 1.00 0.00 C ATOM 758 OE1 GLN A 51 0.335 15.919 -4.873 1.00 0.00 O ATOM 759 NE2 GLN A 51 2.216 15.677 -5.952 1.00 0.00 N ATOM 0 H GLN A 51 -1.733 12.914 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 51 0.000 11.149 -5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.154 13.783 -4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.333 13.000 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.281 13.396 -6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.191 14.241 -7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.784 15.138 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.590 16.528 -5.533 1.00 0.00 H new ATOM 768 N CYS A 52 -1.906 10.502 -4.168 1.00 0.00 N ATOM 769 CA CYS A 52 -3.128 10.051 -3.451 1.00 0.00 C ATOM 770 C CYS A 52 -2.789 9.510 -2.062 1.00 0.00 C ATOM 771 O CYS A 52 -1.706 9.014 -1.819 1.00 0.00 O ATOM 772 CB CYS A 52 -3.827 8.962 -4.269 1.00 0.00 C ATOM 773 SG CYS A 52 -5.612 9.271 -4.278 1.00 0.00 S ATOM 0 H CYS A 52 -1.031 10.057 -3.890 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.789 10.909 -3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.443 8.954 -5.289 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.619 7.981 -3.843 1.00 0.00 H new ATOM 778 N TYR A 53 -3.724 9.597 -1.149 1.00 0.00 N ATOM 779 CA TYR A 53 -3.481 9.083 0.229 1.00 0.00 C ATOM 780 C TYR A 53 -4.745 8.369 0.726 1.00 0.00 C ATOM 781 O TYR A 53 -5.834 8.605 0.242 1.00 0.00 O ATOM 782 CB TYR A 53 -3.115 10.259 1.162 1.00 0.00 C ATOM 783 CG TYR A 53 -3.663 10.033 2.562 1.00 0.00 C ATOM 784 CD1 TYR A 53 -2.940 9.272 3.492 1.00 0.00 C ATOM 785 CD2 TYR A 53 -4.901 10.580 2.921 1.00 0.00 C ATOM 786 CE1 TYR A 53 -3.456 9.061 4.778 1.00 0.00 C ATOM 787 CE2 TYR A 53 -5.415 10.370 4.206 1.00 0.00 C ATOM 788 CZ TYR A 53 -4.693 9.611 5.134 1.00 0.00 C ATOM 789 OH TYR A 53 -5.203 9.404 6.400 1.00 0.00 O ATOM 0 H TYR A 53 -4.647 10.003 -1.302 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.652 8.375 0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.032 10.370 1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.515 11.188 0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.985 8.848 3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.460 11.165 2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.899 8.474 5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.369 10.794 4.481 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.069 9.855 6.482 1.00 0.00 H new ATOM 799 N GLY A 54 -4.605 7.497 1.688 1.00 0.00 N ATOM 800 CA GLY A 54 -5.792 6.768 2.214 1.00 0.00 C ATOM 801 C GLY A 54 -5.376 5.354 2.613 1.00 0.00 C ATOM 802 O GLY A 54 -4.453 5.162 3.379 1.00 0.00 O ATOM 0 H GLY A 54 -3.718 7.259 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.206 7.295 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.575 6.730 1.457 1.00 0.00 H new ATOM 806 N THR A 55 -6.041 4.358 2.095 1.00 0.00 N ATOM 807 CA THR A 55 -5.665 2.961 2.446 1.00 0.00 C ATOM 808 C THR A 55 -5.057 2.278 1.223 1.00 0.00 C ATOM 809 O THR A 55 -5.608 2.289 0.140 1.00 0.00 O ATOM 810 CB THR A 55 -6.900 2.183 2.911 1.00 0.00 C ATOM 811 OG1 THR A 55 -8.000 2.489 2.066 1.00 0.00 O ATOM 812 CG2 THR A 55 -7.235 2.572 4.348 1.00 0.00 C ATOM 0 H THR A 55 -6.824 4.451 1.448 1.00 0.00 H new ATOM 0 HA THR A 55 -4.935 2.979 3.256 1.00 0.00 H new ATOM 0 HB THR A 55 -6.695 1.114 2.864 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.789 1.990 2.363 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.114 2.019 4.679 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.391 2.334 4.995 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.440 3.641 4.397 1.00 0.00 H new ATOM 820 N TRP A 56 -3.920 1.679 1.407 1.00 0.00 N ATOM 821 CA TRP A 56 -3.228 0.976 0.303 1.00 0.00 C ATOM 822 C TRP A 56 -2.797 -0.417 0.778 1.00 0.00 C ATOM 823 O TRP A 56 -1.639 -0.653 1.037 1.00 0.00 O ATOM 824 CB TRP A 56 -1.987 1.767 -0.030 1.00 0.00 C ATOM 825 CG TRP A 56 -2.360 3.183 -0.283 1.00 0.00 C ATOM 826 CD1 TRP A 56 -2.688 4.085 0.668 1.00 0.00 C ATOM 827 CD2 TRP A 56 -2.454 3.872 -1.555 1.00 0.00 C ATOM 828 NE1 TRP A 56 -2.978 5.289 0.058 1.00 0.00 N ATOM 829 CE2 TRP A 56 -2.847 5.208 -1.319 1.00 0.00 C ATOM 830 CE3 TRP A 56 -2.233 3.463 -2.881 1.00 0.00 C ATOM 831 CZ2 TRP A 56 -3.022 6.112 -2.369 1.00 0.00 C ATOM 832 CZ3 TRP A 56 -2.406 4.365 -3.939 1.00 0.00 C ATOM 833 CH2 TRP A 56 -2.800 5.690 -3.685 1.00 0.00 C ATOM 0 H TRP A 56 -3.430 1.647 2.301 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.886 0.882 -0.561 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.273 1.708 0.792 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.498 1.345 -0.908 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.718 3.895 1.731 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.254 6.133 0.559 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -1.928 2.447 -3.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.326 7.128 -2.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.236 4.041 -4.955 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.931 6.382 -4.504 1.00 0.00 H new ATOM 844 N VAL A 57 -3.701 -1.334 0.936 1.00 0.00 N ATOM 845 CA VAL A 57 -3.291 -2.685 1.434 1.00 0.00 C ATOM 846 C VAL A 57 -2.021 -3.156 0.701 1.00 0.00 C ATOM 847 O VAL A 57 -1.974 -3.141 -0.512 1.00 0.00 O ATOM 848 CB VAL A 57 -4.424 -3.683 1.181 1.00 0.00 C ATOM 849 CG1 VAL A 57 -3.910 -5.109 1.395 1.00 0.00 C ATOM 850 CG2 VAL A 57 -5.569 -3.404 2.158 1.00 0.00 C ATOM 0 H VAL A 57 -4.697 -1.218 0.747 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.083 -2.624 2.502 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.780 -3.577 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.718 -5.818 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.091 -5.308 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.554 -5.218 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.378 -4.112 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.209 -3.512 3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.936 -2.389 2.008 1.00 0.00 H new ATOM 860 N PRO A 58 -1.027 -3.577 1.458 1.00 0.00 N ATOM 861 CA PRO A 58 0.242 -4.069 0.890 1.00 0.00 C ATOM 862 C PRO A 58 0.031 -5.438 0.241 1.00 0.00 C ATOM 863 O PRO A 58 -0.675 -6.279 0.760 1.00 0.00 O ATOM 864 CB PRO A 58 1.186 -4.139 2.100 1.00 0.00 C ATOM 865 CG PRO A 58 0.286 -4.192 3.355 1.00 0.00 C ATOM 866 CD PRO A 58 -1.080 -3.613 2.936 1.00 0.00 C ATOM 0 HA PRO A 58 0.645 -3.431 0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.825 -5.020 2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.843 -3.270 2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.180 -5.216 3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.720 -3.612 4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.901 -4.237 3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.234 -2.618 3.352 1.00 0.00 H new ATOM 874 N ILE A 59 0.613 -5.657 -0.908 1.00 0.00 N ATOM 875 CA ILE A 59 0.410 -6.961 -1.596 1.00 0.00 C ATOM 876 C ILE A 59 1.675 -7.400 -2.329 1.00 0.00 C ATOM 877 O ILE A 59 1.947 -8.577 -2.450 1.00 0.00 O ATOM 878 CB ILE A 59 -0.701 -6.816 -2.633 1.00 0.00 C ATOM 879 CG1 ILE A 59 -0.378 -5.631 -3.560 1.00 0.00 C ATOM 880 CG2 ILE A 59 -2.042 -6.587 -1.933 1.00 0.00 C ATOM 881 CD1 ILE A 59 -0.632 -4.302 -2.843 1.00 0.00 C ATOM 0 H ILE A 59 1.215 -4.994 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 59 0.153 -7.703 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.769 -7.729 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.663 -5.685 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.991 -5.688 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.829 -6.485 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.264 -7.435 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.989 -5.678 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.398 -3.476 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.679 -4.243 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.000 -4.240 -1.957 1.00 0.00 H new ATOM 893 N GLY A 60 2.430 -6.481 -2.863 1.00 0.00 N ATOM 894 CA GLY A 60 3.634 -6.907 -3.626 1.00 0.00 C ATOM 895 C GLY A 60 4.868 -6.130 -3.188 1.00 0.00 C ATOM 896 O GLY A 60 4.819 -5.296 -2.309 1.00 0.00 O ATOM 0 H GLY A 60 2.271 -5.475 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.802 -7.974 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.465 -6.755 -4.692 1.00 0.00 H new ATOM 900 N LEU A 61 5.979 -6.405 -3.813 1.00 0.00 N ATOM 901 CA LEU A 61 7.231 -5.691 -3.462 1.00 0.00 C ATOM 902 C LEU A 61 7.328 -4.422 -4.305 1.00 0.00 C ATOM 903 O LEU A 61 8.026 -3.490 -3.959 1.00 0.00 O ATOM 904 CB LEU A 61 8.432 -6.594 -3.748 1.00 0.00 C ATOM 905 CG LEU A 61 8.116 -8.020 -3.293 1.00 0.00 C ATOM 906 CD1 LEU A 61 9.378 -8.878 -3.387 1.00 0.00 C ATOM 907 CD2 LEU A 61 7.623 -7.993 -1.845 1.00 0.00 C ATOM 0 H LEU A 61 6.071 -7.098 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 61 7.226 -5.430 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.663 -6.583 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.314 -6.221 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 61 7.342 -8.444 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.152 -9.894 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.730 -8.896 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.153 -8.457 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.397 -9.008 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.397 -7.570 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.723 -7.382 -1.778 1.00 0.00 H new ATOM 919 N ALA A 62 6.625 -4.367 -5.408 1.00 0.00 N ATOM 920 CA ALA A 62 6.684 -3.139 -6.248 1.00 0.00 C ATOM 921 C ALA A 62 5.962 -3.342 -7.590 1.00 0.00 C ATOM 922 O ALA A 62 6.420 -2.853 -8.602 1.00 0.00 O ATOM 923 CB ALA A 62 8.147 -2.784 -6.515 1.00 0.00 C ATOM 0 H ALA A 62 6.021 -5.111 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 62 6.186 -2.333 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.197 -1.885 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.657 -2.605 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.632 -3.609 -7.038 1.00 0.00 H new ATOM 929 N ILE A 63 4.826 -4.015 -7.611 1.00 0.00 N ATOM 930 CA ILE A 63 4.085 -4.187 -8.909 1.00 0.00 C ATOM 931 C ILE A 63 3.041 -5.334 -8.869 1.00 0.00 C ATOM 932 O ILE A 63 2.006 -5.207 -9.494 1.00 0.00 O ATOM 933 CB ILE A 63 5.085 -4.409 -10.073 1.00 0.00 C ATOM 934 CG1 ILE A 63 5.111 -3.153 -10.957 1.00 0.00 C ATOM 935 CG2 ILE A 63 4.690 -5.613 -10.942 1.00 0.00 C ATOM 936 CD1 ILE A 63 3.682 -2.770 -11.373 1.00 0.00 C ATOM 0 H ILE A 63 4.387 -4.446 -6.797 1.00 0.00 H new ATOM 0 HA ILE A 63 3.527 -3.265 -9.074 1.00 0.00 H new ATOM 0 HB ILE A 63 6.066 -4.605 -9.640 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.574 -2.328 -10.416 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.720 -3.335 -11.843 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.416 -5.735 -11.746 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.673 -6.514 -10.329 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.701 -5.445 -11.368 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.712 -1.878 -11.999 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.233 -3.591 -11.932 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.086 -2.568 -10.483 1.00 0.00 H new ATOM 948 N PRO A 64 3.318 -6.430 -8.191 1.00 0.00 N ATOM 949 CA PRO A 64 2.373 -7.564 -8.163 1.00 0.00 C ATOM 950 C PRO A 64 1.113 -7.243 -7.352 1.00 0.00 C ATOM 951 O PRO A 64 1.127 -6.456 -6.427 1.00 0.00 O ATOM 952 CB PRO A 64 3.186 -8.714 -7.563 1.00 0.00 C ATOM 953 CG PRO A 64 4.368 -8.070 -6.809 1.00 0.00 C ATOM 954 CD PRO A 64 4.546 -6.652 -7.392 1.00 0.00 C ATOM 0 HA PRO A 64 1.990 -7.812 -9.153 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.573 -9.310 -6.887 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.544 -9.385 -8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.166 -8.026 -5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.276 -8.658 -6.938 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.648 -5.907 -6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.441 -6.585 -8.011 1.00 0.00 H new ATOM 962 N GLU A 65 0.013 -7.843 -7.734 1.00 0.00 N ATOM 963 CA GLU A 65 -1.286 -7.585 -7.045 1.00 0.00 C ATOM 964 C GLU A 65 -1.369 -8.369 -5.732 1.00 0.00 C ATOM 965 O GLU A 65 -0.370 -8.743 -5.149 1.00 0.00 O ATOM 966 CB GLU A 65 -2.434 -8.021 -7.965 1.00 0.00 C ATOM 967 CG GLU A 65 -2.409 -9.544 -8.139 1.00 0.00 C ATOM 968 CD GLU A 65 -1.606 -9.907 -9.392 1.00 0.00 C ATOM 969 OE1 GLU A 65 -1.188 -8.998 -10.089 1.00 0.00 O ATOM 970 OE2 GLU A 65 -1.426 -11.089 -9.633 1.00 0.00 O ATOM 0 H GLU A 65 -0.039 -8.509 -8.505 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.360 -6.521 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.389 -7.710 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.340 -7.533 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.964 -10.013 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.426 -9.927 -8.223 1.00 0.00 H new