USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=16 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= -1.52 USER MOD Set 1.2: A 51 GLN :FLIP amide:sc= 0 F(o=-2.1,f=-1.5) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= -1.51 (180deg=-2.81!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=-0.007) USER MOD Single : A 12 THR OG1 : rot 162:sc= -11.8! USER MOD Single : A 14 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.7!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0231 USER MOD Single : A 18 ASN : amide:sc= -0.021 X(o=-0.021,f=-0.038) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 176:sc= -3.71! USER MOD Single : A 29 TYR OH : rot 180:sc= -2.4! USER MOD Single : A 31 ASN : amide:sc= -3.05! X(o=-3.1!,f=-3.3) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -1.13! C(o=-2.6!,f=-1.1!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0913 USER MOD Single : A 50 THR OG1 : rot 24:sc= -1.55! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 35:sc= 0.096 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 8.330 -9.798 1.250 1.00 0.00 N ATOM 33 CA VAL A 3 6.850 -9.766 1.412 1.00 0.00 C ATOM 34 C VAL A 3 6.493 -9.970 2.890 1.00 0.00 C ATOM 35 O VAL A 3 5.446 -9.559 3.345 1.00 0.00 O ATOM 36 CB VAL A 3 6.215 -10.868 0.561 1.00 0.00 C ATOM 37 CG1 VAL A 3 4.733 -10.557 0.344 1.00 0.00 C ATOM 38 CG2 VAL A 3 6.921 -10.931 -0.795 1.00 0.00 C ATOM 0 HA VAL A 3 6.468 -8.800 1.082 1.00 0.00 H new ATOM 0 HB VAL A 3 6.315 -11.825 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.281 -11.342 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.227 -10.506 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.633 -9.600 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.471 -11.715 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.818 -9.973 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.978 -11.150 -0.645 1.00 0.00 H new ATOM 48 N GLU A 4 7.358 -10.590 3.646 1.00 0.00 N ATOM 49 CA GLU A 4 7.064 -10.801 5.093 1.00 0.00 C ATOM 50 C GLU A 4 6.861 -9.444 5.772 1.00 0.00 C ATOM 51 O GLU A 4 5.843 -9.194 6.387 1.00 0.00 O ATOM 52 CB GLU A 4 8.237 -11.530 5.751 1.00 0.00 C ATOM 53 CG GLU A 4 7.757 -12.876 6.299 1.00 0.00 C ATOM 54 CD GLU A 4 7.259 -13.749 5.146 1.00 0.00 C ATOM 55 OE1 GLU A 4 7.972 -13.862 4.162 1.00 0.00 O ATOM 56 OE2 GLU A 4 6.171 -14.290 5.267 1.00 0.00 O ATOM 0 H GLU A 4 8.253 -10.959 3.326 1.00 0.00 H new ATOM 0 HA GLU A 4 6.160 -11.401 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.036 -11.684 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.650 -10.923 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.570 -13.378 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.957 -12.721 7.023 1.00 0.00 H new ATOM 63 N SER A 5 7.819 -8.562 5.662 1.00 0.00 N ATOM 64 CA SER A 5 7.671 -7.221 6.298 1.00 0.00 C ATOM 65 C SER A 5 6.763 -6.356 5.429 1.00 0.00 C ATOM 66 O SER A 5 5.862 -5.701 5.914 1.00 0.00 O ATOM 67 CB SER A 5 9.044 -6.560 6.430 1.00 0.00 C ATOM 68 OG SER A 5 10.009 -7.549 6.764 1.00 0.00 O ATOM 0 H SER A 5 8.695 -8.712 5.161 1.00 0.00 H new ATOM 0 HA SER A 5 7.233 -7.330 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.316 -6.070 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.017 -5.787 7.198 1.00 0.00 H new ATOM 0 HG SER A 5 10.891 -7.130 6.848 1.00 0.00 H new ATOM 74 N CYS A 6 6.983 -6.356 4.144 1.00 0.00 N ATOM 75 CA CYS A 6 6.122 -5.544 3.244 1.00 0.00 C ATOM 76 C CYS A 6 4.664 -5.760 3.641 1.00 0.00 C ATOM 77 O CYS A 6 3.849 -4.864 3.574 1.00 0.00 O ATOM 78 CB CYS A 6 6.329 -5.991 1.794 1.00 0.00 C ATOM 79 SG CYS A 6 6.034 -4.594 0.682 1.00 0.00 S ATOM 0 H CYS A 6 7.722 -6.884 3.679 1.00 0.00 H new ATOM 0 HA CYS A 6 6.381 -4.489 3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.343 -6.368 1.660 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.650 -6.810 1.554 1.00 0.00 H new ATOM 84 N LEU A 7 4.331 -6.947 4.065 1.00 0.00 N ATOM 85 CA LEU A 7 2.931 -7.224 4.479 1.00 0.00 C ATOM 86 C LEU A 7 2.811 -6.996 5.982 1.00 0.00 C ATOM 87 O LEU A 7 1.766 -6.637 6.487 1.00 0.00 O ATOM 88 CB LEU A 7 2.575 -8.664 4.129 1.00 0.00 C ATOM 89 CG LEU A 7 2.807 -8.883 2.633 1.00 0.00 C ATOM 90 CD1 LEU A 7 2.507 -10.338 2.274 1.00 0.00 C ATOM 91 CD2 LEU A 7 1.884 -7.957 1.838 1.00 0.00 C ATOM 0 H LEU A 7 4.971 -7.738 4.142 1.00 0.00 H new ATOM 0 HA LEU A 7 2.243 -6.559 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.186 -9.355 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.535 -8.867 4.383 1.00 0.00 H new ATOM 0 HG LEU A 7 3.846 -8.661 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.673 -10.491 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.165 -10.996 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.469 -10.566 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.046 -8.110 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.846 -8.181 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.102 -6.920 2.093 1.00 0.00 H new ATOM 103 N ALA A 8 3.890 -7.161 6.694 1.00 0.00 N ATOM 104 CA ALA A 8 3.862 -6.909 8.162 1.00 0.00 C ATOM 105 C ALA A 8 3.586 -5.416 8.378 1.00 0.00 C ATOM 106 O ALA A 8 3.275 -4.973 9.465 1.00 0.00 O ATOM 107 CB ALA A 8 5.215 -7.276 8.778 1.00 0.00 C ATOM 0 H ALA A 8 4.792 -7.460 6.323 1.00 0.00 H new ATOM 0 HA ALA A 8 3.089 -7.514 8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.189 -7.090 9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.423 -8.331 8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.998 -6.669 8.324 1.00 0.00 H new ATOM 113 N LYS A 9 3.695 -4.655 7.320 1.00 0.00 N ATOM 114 CA LYS A 9 3.441 -3.191 7.368 1.00 0.00 C ATOM 115 C LYS A 9 2.154 -2.912 8.163 1.00 0.00 C ATOM 116 O LYS A 9 1.487 -3.834 8.588 1.00 0.00 O ATOM 117 CB LYS A 9 3.291 -2.741 5.910 1.00 0.00 C ATOM 118 CG LYS A 9 4.676 -2.467 5.324 1.00 0.00 C ATOM 119 CD LYS A 9 4.542 -2.032 3.864 1.00 0.00 C ATOM 120 CE LYS A 9 5.758 -1.193 3.460 1.00 0.00 C ATOM 121 NZ LYS A 9 6.132 -0.277 4.574 1.00 0.00 N ATOM 0 H LYS A 9 3.958 -5.003 6.398 1.00 0.00 H new ATOM 0 HA LYS A 9 4.249 -2.651 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.783 -3.511 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.676 -1.843 5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.178 -1.690 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.293 -3.363 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.462 -2.908 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.628 -1.453 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.597 -1.845 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.532 -0.616 2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.695 0.513 4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.270 0.094 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.692 -0.798 5.279 1.00 0.00 H new ATOM 135 N PRO A 10 1.824 -1.649 8.337 1.00 0.00 N ATOM 136 CA PRO A 10 0.609 -1.260 9.075 1.00 0.00 C ATOM 137 C PRO A 10 -0.631 -1.631 8.259 1.00 0.00 C ATOM 138 O PRO A 10 -1.750 -1.544 8.726 1.00 0.00 O ATOM 139 CB PRO A 10 0.764 0.251 9.277 1.00 0.00 C ATOM 140 CG PRO A 10 1.769 0.730 8.207 1.00 0.00 C ATOM 141 CD PRO A 10 2.598 -0.506 7.805 1.00 0.00 C ATOM 0 HA PRO A 10 0.487 -1.768 10.031 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.194 0.759 9.165 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.128 0.474 10.280 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.249 1.146 7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.411 1.517 8.602 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.715 -0.573 6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.600 -0.470 8.232 1.00 0.00 H new ATOM 149 N HIS A 11 -0.423 -2.093 7.057 1.00 0.00 N ATOM 150 CA HIS A 11 -1.550 -2.541 6.199 1.00 0.00 C ATOM 151 C HIS A 11 -2.383 -1.386 5.660 1.00 0.00 C ATOM 152 O HIS A 11 -3.461 -1.129 6.147 1.00 0.00 O ATOM 153 CB HIS A 11 -2.475 -3.458 6.992 1.00 0.00 C ATOM 154 CG HIS A 11 -2.369 -4.858 6.455 1.00 0.00 C ATOM 155 ND1 HIS A 11 -3.458 -5.525 5.917 1.00 0.00 N ATOM 156 CD2 HIS A 11 -1.312 -5.730 6.362 1.00 0.00 C ATOM 157 CE1 HIS A 11 -3.036 -6.742 5.526 1.00 0.00 C ATOM 158 NE2 HIS A 11 -1.737 -6.919 5.775 1.00 0.00 N ATOM 0 H HIS A 11 0.498 -2.179 6.628 1.00 0.00 H new ATOM 0 HA HIS A 11 -1.101 -3.063 5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.205 -3.440 8.048 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.504 -3.106 6.920 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.305 -5.525 6.694 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.671 -7.485 5.067 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.176 -7.748 5.578 1.00 0.00 H new ATOM 166 N THR A 12 -1.933 -0.752 4.613 1.00 0.00 N ATOM 167 CA THR A 12 -2.751 0.321 3.972 1.00 0.00 C ATOM 168 C THR A 12 -2.600 1.691 4.640 1.00 0.00 C ATOM 169 O THR A 12 -2.243 2.649 3.987 1.00 0.00 O ATOM 170 CB THR A 12 -4.224 -0.147 3.956 1.00 0.00 C ATOM 171 OG1 THR A 12 -4.774 -0.004 2.663 1.00 0.00 O ATOM 172 CG2 THR A 12 -5.088 0.636 4.958 1.00 0.00 C ATOM 0 H THR A 12 -1.031 -0.930 4.171 1.00 0.00 H new ATOM 0 HA THR A 12 -2.386 0.472 2.956 1.00 0.00 H new ATOM 0 HB THR A 12 -4.226 -1.197 4.247 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.582 -0.554 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.115 0.274 4.913 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.697 0.493 5.965 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.065 1.696 4.707 1.00 0.00 H new ATOM 180 N GLU A 13 -2.899 1.826 5.900 1.00 0.00 N ATOM 181 CA GLU A 13 -2.793 3.179 6.514 1.00 0.00 C ATOM 182 C GLU A 13 -1.470 3.824 6.104 1.00 0.00 C ATOM 183 O GLU A 13 -0.428 3.573 6.677 1.00 0.00 O ATOM 184 CB GLU A 13 -2.882 3.091 8.038 1.00 0.00 C ATOM 185 CG GLU A 13 -3.223 4.474 8.600 1.00 0.00 C ATOM 186 CD GLU A 13 -2.341 4.765 9.816 1.00 0.00 C ATOM 187 OE1 GLU A 13 -1.289 4.157 9.919 1.00 0.00 O ATOM 188 OE2 GLU A 13 -2.732 5.593 10.622 1.00 0.00 O ATOM 0 H GLU A 13 -3.206 1.077 6.521 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.622 3.791 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.644 2.368 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.936 2.740 8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.070 5.236 7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.275 4.514 8.883 1.00 0.00 H new ATOM 195 N ASN A 14 -1.523 4.646 5.097 1.00 0.00 N ATOM 196 CA ASN A 14 -0.304 5.326 4.591 1.00 0.00 C ATOM 197 C ASN A 14 -0.655 5.961 3.251 1.00 0.00 C ATOM 198 O ASN A 14 -1.783 6.353 3.020 1.00 0.00 O ATOM 199 CB ASN A 14 0.813 4.301 4.383 1.00 0.00 C ATOM 200 CG ASN A 14 2.095 4.804 5.048 1.00 0.00 C ATOM 201 OD1 ASN A 14 2.046 5.497 6.045 1.00 0.00 O ATOM 202 ND2 ASN A 14 3.250 4.482 4.535 1.00 0.00 N ATOM 0 H ASN A 14 -2.379 4.879 4.593 1.00 0.00 H new ATOM 0 HA ASN A 14 0.036 6.077 5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.523 3.340 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.981 4.141 3.318 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.111 4.812 4.971 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.292 3.900 3.698 1.00 0.00 H new ATOM 209 N SER A 15 0.282 6.057 2.356 1.00 0.00 N ATOM 210 CA SER A 15 -0.043 6.653 1.043 1.00 0.00 C ATOM 211 C SER A 15 1.196 6.682 0.164 1.00 0.00 C ATOM 212 O SER A 15 2.212 6.092 0.474 1.00 0.00 O ATOM 213 CB SER A 15 -0.559 8.073 1.247 1.00 0.00 C ATOM 214 OG SER A 15 0.339 8.783 2.090 1.00 0.00 O ATOM 0 H SER A 15 1.248 5.752 2.477 1.00 0.00 H new ATOM 0 HA SER A 15 -0.810 6.051 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.652 8.580 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.553 8.050 1.693 1.00 0.00 H new ATOM 0 HG SER A 15 0.011 9.697 2.222 1.00 0.00 H new ATOM 220 N PHE A 16 1.110 7.359 -0.939 1.00 0.00 N ATOM 221 CA PHE A 16 2.268 7.429 -1.856 1.00 0.00 C ATOM 222 C PHE A 16 1.878 8.286 -3.063 1.00 0.00 C ATOM 223 O PHE A 16 0.729 8.319 -3.461 1.00 0.00 O ATOM 224 CB PHE A 16 2.617 6.013 -2.315 1.00 0.00 C ATOM 225 CG PHE A 16 3.561 6.071 -3.489 1.00 0.00 C ATOM 226 CD1 PHE A 16 4.880 6.505 -3.309 1.00 0.00 C ATOM 227 CD2 PHE A 16 3.118 5.686 -4.758 1.00 0.00 C ATOM 228 CE1 PHE A 16 5.755 6.553 -4.401 1.00 0.00 C ATOM 229 CE2 PHE A 16 3.992 5.733 -5.849 1.00 0.00 C ATOM 230 CZ PHE A 16 5.310 6.167 -5.671 1.00 0.00 C ATOM 0 H PHE A 16 0.282 7.870 -1.246 1.00 0.00 H new ATOM 0 HA PHE A 16 3.131 7.870 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.075 5.459 -1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.709 5.478 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.222 6.802 -2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.100 5.352 -4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.773 6.888 -4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.649 5.434 -6.829 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.984 6.204 -6.514 1.00 0.00 H new ATOM 240 N THR A 17 2.807 8.983 -3.652 1.00 0.00 N ATOM 241 CA THR A 17 2.445 9.822 -4.829 1.00 0.00 C ATOM 242 C THR A 17 2.925 9.141 -6.104 1.00 0.00 C ATOM 243 O THR A 17 3.742 8.246 -6.069 1.00 0.00 O ATOM 244 CB THR A 17 3.058 11.218 -4.703 1.00 0.00 C ATOM 245 OG1 THR A 17 3.400 11.700 -5.994 1.00 0.00 O ATOM 246 CG2 THR A 17 4.313 11.162 -3.829 1.00 0.00 C ATOM 0 H THR A 17 3.788 9.010 -3.376 1.00 0.00 H new ATOM 0 HA THR A 17 1.361 9.932 -4.869 1.00 0.00 H new ATOM 0 HB THR A 17 2.333 11.888 -4.241 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.791 12.595 -5.916 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.743 12.160 -3.745 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.049 10.796 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.042 10.490 -4.282 1.00 0.00 H new ATOM 254 N ASN A 18 2.400 9.537 -7.231 1.00 0.00 N ATOM 255 CA ASN A 18 2.797 8.880 -8.505 1.00 0.00 C ATOM 256 C ASN A 18 2.081 7.530 -8.584 1.00 0.00 C ATOM 257 O ASN A 18 2.433 6.666 -9.363 1.00 0.00 O ATOM 258 CB ASN A 18 4.313 8.665 -8.529 1.00 0.00 C ATOM 259 CG ASN A 18 4.785 8.511 -9.976 1.00 0.00 C ATOM 260 OD1 ASN A 18 4.780 9.463 -10.733 1.00 0.00 O ATOM 261 ND2 ASN A 18 5.197 7.347 -10.394 1.00 0.00 N ATOM 0 H ASN A 18 1.714 10.286 -7.323 1.00 0.00 H new ATOM 0 HA ASN A 18 2.522 9.505 -9.355 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.818 9.509 -8.059 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.574 7.777 -7.954 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.515 7.234 -11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.201 6.549 -9.759 1.00 0.00 H new ATOM 268 N VAL A 19 1.079 7.347 -7.763 1.00 0.00 N ATOM 269 CA VAL A 19 0.322 6.064 -7.750 1.00 0.00 C ATOM 270 C VAL A 19 -0.084 5.660 -9.166 1.00 0.00 C ATOM 271 O VAL A 19 -0.298 6.487 -10.029 1.00 0.00 O ATOM 272 CB VAL A 19 -0.941 6.244 -6.913 1.00 0.00 C ATOM 273 CG1 VAL A 19 -1.757 4.952 -6.940 1.00 0.00 C ATOM 274 CG2 VAL A 19 -0.553 6.579 -5.471 1.00 0.00 C ATOM 0 H VAL A 19 0.751 8.043 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 19 0.959 5.286 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.539 7.057 -7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.660 5.079 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.033 4.717 -7.968 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.162 4.137 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.455 6.708 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.045 5.767 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.028 7.501 -5.455 1.00 0.00 H new ATOM 284 N TRP A 20 -0.217 4.383 -9.397 1.00 0.00 N ATOM 285 CA TRP A 20 -0.638 3.899 -10.739 1.00 0.00 C ATOM 286 C TRP A 20 -1.805 2.922 -10.550 1.00 0.00 C ATOM 287 O TRP A 20 -2.231 2.659 -9.444 1.00 0.00 O ATOM 288 CB TRP A 20 0.557 3.217 -11.448 1.00 0.00 C ATOM 289 CG TRP A 20 0.491 1.718 -11.319 1.00 0.00 C ATOM 290 CD1 TRP A 20 -0.211 0.895 -12.135 1.00 0.00 C ATOM 291 CD2 TRP A 20 1.147 0.858 -10.344 1.00 0.00 C ATOM 292 NE1 TRP A 20 -0.053 -0.409 -11.705 1.00 0.00 N ATOM 293 CE2 TRP A 20 0.785 -0.485 -10.610 1.00 0.00 C ATOM 294 CE3 TRP A 20 2.005 1.111 -9.259 1.00 0.00 C ATOM 295 CZ2 TRP A 20 1.261 -1.538 -9.829 1.00 0.00 C ATOM 296 CZ3 TRP A 20 2.487 0.052 -8.473 1.00 0.00 C ATOM 297 CH2 TRP A 20 2.115 -1.270 -8.759 1.00 0.00 C ATOM 0 H TRP A 20 -0.051 3.650 -8.708 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.963 4.730 -11.366 1.00 0.00 H new ATOM 0 HB2 TRP A 20 0.562 3.493 -12.502 1.00 0.00 H new ATOM 0 HB3 TRP A 20 1.491 3.580 -11.019 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.799 1.208 -12.985 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -0.500 -1.215 -12.142 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.295 2.126 -9.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 0.970 -2.554 -10.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.148 0.256 -7.644 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.490 -2.080 -8.151 1.00 0.00 H new ATOM 308 N LYS A 21 -2.308 2.366 -11.611 1.00 0.00 N ATOM 309 CA LYS A 21 -3.425 1.391 -11.481 1.00 0.00 C ATOM 310 C LYS A 21 -3.378 0.435 -12.665 1.00 0.00 C ATOM 311 O LYS A 21 -3.482 0.838 -13.806 1.00 0.00 O ATOM 312 CB LYS A 21 -4.773 2.115 -11.464 1.00 0.00 C ATOM 313 CG LYS A 21 -5.889 1.083 -11.262 1.00 0.00 C ATOM 314 CD LYS A 21 -7.057 1.397 -12.199 1.00 0.00 C ATOM 315 CE LYS A 21 -6.803 0.749 -13.562 1.00 0.00 C ATOM 316 NZ LYS A 21 -7.744 1.317 -14.568 1.00 0.00 N ATOM 0 H LYS A 21 -1.995 2.543 -12.565 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.316 0.843 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.794 2.854 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.923 2.654 -12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.511 0.080 -11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.227 1.097 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.989 1.024 -11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.168 2.476 -12.312 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.773 0.924 -13.873 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.936 -0.331 -13.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.473 0.993 -15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.712 1.000 -14.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.705 2.356 -14.532 1.00 0.00 H new ATOM 330 N ASP A 22 -3.213 -0.828 -12.407 1.00 0.00 N ATOM 331 CA ASP A 22 -3.150 -1.802 -13.514 1.00 0.00 C ATOM 332 C ASP A 22 -4.538 -2.389 -13.759 1.00 0.00 C ATOM 333 O ASP A 22 -5.141 -2.975 -12.876 1.00 0.00 O ATOM 334 CB ASP A 22 -2.181 -2.921 -13.127 1.00 0.00 C ATOM 335 CG ASP A 22 -0.929 -2.848 -14.004 1.00 0.00 C ATOM 336 OD1 ASP A 22 -0.792 -1.876 -14.728 1.00 0.00 O ATOM 337 OD2 ASP A 22 -0.129 -3.767 -13.938 1.00 0.00 O ATOM 0 H ASP A 22 -3.119 -1.225 -11.472 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.806 -1.310 -14.424 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.906 -2.829 -12.076 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.664 -3.891 -13.247 1.00 0.00 H new ATOM 342 N ASP A 23 -5.043 -2.255 -14.955 1.00 0.00 N ATOM 343 CA ASP A 23 -6.376 -2.835 -15.265 1.00 0.00 C ATOM 344 C ASP A 23 -6.204 -4.350 -15.361 1.00 0.00 C ATOM 345 O ASP A 23 -7.152 -5.107 -15.300 1.00 0.00 O ATOM 346 CB ASP A 23 -6.881 -2.286 -16.602 1.00 0.00 C ATOM 347 CG ASP A 23 -8.165 -1.484 -16.374 1.00 0.00 C ATOM 348 OD1 ASP A 23 -8.827 -1.731 -15.380 1.00 0.00 O ATOM 349 OD2 ASP A 23 -8.464 -0.636 -17.200 1.00 0.00 O ATOM 0 H ASP A 23 -4.589 -1.769 -15.729 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.099 -2.577 -14.491 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.120 -1.652 -17.057 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.070 -3.105 -17.295 1.00 0.00 H new ATOM 354 N LYS A 24 -4.981 -4.787 -15.498 1.00 0.00 N ATOM 355 CA LYS A 24 -4.692 -6.239 -15.587 1.00 0.00 C ATOM 356 C LYS A 24 -4.548 -6.794 -14.175 1.00 0.00 C ATOM 357 O LYS A 24 -5.259 -7.690 -13.766 1.00 0.00 O ATOM 358 CB LYS A 24 -3.374 -6.429 -16.332 1.00 0.00 C ATOM 359 CG LYS A 24 -3.655 -6.821 -17.783 1.00 0.00 C ATOM 360 CD LYS A 24 -2.458 -7.586 -18.348 1.00 0.00 C ATOM 361 CE LYS A 24 -1.631 -6.655 -19.236 1.00 0.00 C ATOM 362 NZ LYS A 24 -0.263 -6.508 -18.664 1.00 0.00 N ATOM 0 H LYS A 24 -4.159 -4.185 -15.552 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.496 -6.755 -16.112 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.791 -5.509 -16.300 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.778 -7.201 -15.845 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.552 -7.438 -17.837 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.845 -5.930 -18.381 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.843 -7.972 -17.535 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.801 -8.446 -18.924 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.572 -7.057 -20.247 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.113 -5.680 -19.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.300 -5.875 -19.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.328 -6.106 -17.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.196 -7.440 -18.618 1.00 0.00 H new ATOM 376 N THR A 25 -3.630 -6.251 -13.423 1.00 0.00 N ATOM 377 CA THR A 25 -3.434 -6.724 -12.031 1.00 0.00 C ATOM 378 C THR A 25 -4.734 -6.521 -11.277 1.00 0.00 C ATOM 379 O THR A 25 -5.055 -7.263 -10.370 1.00 0.00 O ATOM 380 CB THR A 25 -2.312 -5.941 -11.368 1.00 0.00 C ATOM 381 OG1 THR A 25 -2.726 -4.598 -11.156 1.00 0.00 O ATOM 382 CG2 THR A 25 -1.066 -5.964 -12.256 1.00 0.00 C ATOM 0 H THR A 25 -3.008 -5.498 -13.717 1.00 0.00 H new ATOM 0 HA THR A 25 -3.160 -7.779 -12.025 1.00 0.00 H new ATOM 0 HB THR A 25 -2.074 -6.400 -10.408 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.030 -4.115 -10.663 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.266 -5.401 -11.775 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.745 -6.995 -12.406 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.298 -5.512 -13.220 1.00 0.00 H new ATOM 390 N LEU A 26 -5.505 -5.550 -11.698 1.00 0.00 N ATOM 391 CA LEU A 26 -6.846 -5.316 -11.082 1.00 0.00 C ATOM 392 C LEU A 26 -6.802 -4.508 -9.779 1.00 0.00 C ATOM 393 O LEU A 26 -7.255 -4.984 -8.759 1.00 0.00 O ATOM 394 CB LEU A 26 -7.467 -6.677 -10.782 1.00 0.00 C ATOM 395 CG LEU A 26 -8.891 -6.735 -11.319 1.00 0.00 C ATOM 396 CD1 LEU A 26 -9.782 -5.781 -10.521 1.00 0.00 C ATOM 397 CD2 LEU A 26 -8.902 -6.330 -12.796 1.00 0.00 C ATOM 0 H LEU A 26 -5.260 -4.904 -12.449 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.429 -4.730 -11.793 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.867 -7.466 -11.235 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.468 -6.855 -9.707 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.270 -7.752 -11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.800 -5.825 -10.908 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.780 -6.074 -9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.402 -4.764 -10.615 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.922 -6.373 -13.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.519 -5.315 -12.898 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.273 -7.014 -13.366 1.00 0.00 H new ATOM 409 N ASP A 27 -6.322 -3.285 -9.794 1.00 0.00 N ATOM 410 CA ASP A 27 -6.336 -2.484 -8.523 1.00 0.00 C ATOM 411 C ASP A 27 -5.343 -1.325 -8.579 1.00 0.00 C ATOM 412 O ASP A 27 -4.521 -1.232 -9.468 1.00 0.00 O ATOM 413 CB ASP A 27 -5.959 -3.386 -7.354 1.00 0.00 C ATOM 414 CG ASP A 27 -7.208 -3.703 -6.529 1.00 0.00 C ATOM 415 OD1 ASP A 27 -8.297 -3.472 -7.028 1.00 0.00 O ATOM 416 OD2 ASP A 27 -7.054 -4.169 -5.412 1.00 0.00 O ATOM 0 H ASP A 27 -5.930 -2.815 -10.610 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.340 -2.079 -8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.510 -4.308 -7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.212 -2.896 -6.729 1.00 0.00 H new ATOM 421 N ARG A 28 -5.402 -0.448 -7.603 1.00 0.00 N ATOM 422 CA ARG A 28 -4.450 0.694 -7.564 1.00 0.00 C ATOM 423 C ARG A 28 -3.235 0.257 -6.751 1.00 0.00 C ATOM 424 O ARG A 28 -3.343 -0.571 -5.871 1.00 0.00 O ATOM 425 CB ARG A 28 -5.120 1.892 -6.888 1.00 0.00 C ATOM 426 CG ARG A 28 -4.421 3.184 -7.315 1.00 0.00 C ATOM 427 CD ARG A 28 -5.326 3.960 -8.271 1.00 0.00 C ATOM 428 NE ARG A 28 -6.455 4.560 -7.507 1.00 0.00 N ATOM 429 CZ ARG A 28 -7.669 4.508 -7.983 1.00 0.00 C ATOM 430 NH1 ARG A 28 -8.265 3.355 -8.129 1.00 0.00 N ATOM 431 NH2 ARG A 28 -8.288 5.607 -8.315 1.00 0.00 N ATOM 0 H ARG A 28 -6.071 -0.480 -6.834 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.151 0.982 -8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.175 1.931 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.073 1.783 -5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.191 3.792 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.473 2.954 -7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.757 4.742 -8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.709 3.296 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.279 5.012 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.782 2.495 -7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.214 3.315 -8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.823 6.508 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.237 5.565 -8.687 1.00 0.00 H new ATOM 445 N TYR A 29 -2.076 0.779 -7.029 1.00 0.00 N ATOM 446 CA TYR A 29 -0.892 0.340 -6.245 1.00 0.00 C ATOM 447 C TYR A 29 0.139 1.459 -6.155 1.00 0.00 C ATOM 448 O TYR A 29 0.320 2.235 -7.072 1.00 0.00 O ATOM 449 CB TYR A 29 -0.274 -0.883 -6.918 1.00 0.00 C ATOM 450 CG TYR A 29 -1.257 -2.024 -6.851 1.00 0.00 C ATOM 451 CD1 TYR A 29 -2.252 -2.147 -7.827 1.00 0.00 C ATOM 452 CD2 TYR A 29 -1.184 -2.950 -5.805 1.00 0.00 C ATOM 453 CE1 TYR A 29 -3.171 -3.200 -7.760 1.00 0.00 C ATOM 454 CE2 TYR A 29 -2.102 -4.003 -5.737 1.00 0.00 C ATOM 455 CZ TYR A 29 -3.097 -4.127 -6.712 1.00 0.00 C ATOM 456 OH TYR A 29 -4.001 -5.166 -6.642 1.00 0.00 O ATOM 0 H TYR A 29 -1.898 1.477 -7.751 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.209 0.086 -5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.027 -0.658 -7.956 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.657 -1.157 -6.421 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.311 -1.429 -8.632 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.418 -2.852 -5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.937 -3.298 -8.515 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.043 -4.720 -4.932 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.807 -5.716 -5.854 1.00 0.00 H new ATOM 466 N ALA A 30 0.821 1.539 -5.045 1.00 0.00 N ATOM 467 CA ALA A 30 1.850 2.599 -4.873 1.00 0.00 C ATOM 468 C ALA A 30 3.228 1.946 -4.750 1.00 0.00 C ATOM 469 O ALA A 30 3.462 1.127 -3.883 1.00 0.00 O ATOM 470 CB ALA A 30 1.551 3.401 -3.607 1.00 0.00 C ATOM 0 H ALA A 30 0.708 0.913 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 30 1.836 3.267 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.305 4.178 -3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.567 3.862 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.567 2.737 -2.743 1.00 0.00 H new ATOM 476 N ASN A 31 4.139 2.298 -5.614 1.00 0.00 N ATOM 477 CA ASN A 31 5.497 1.693 -5.548 1.00 0.00 C ATOM 478 C ASN A 31 6.316 2.383 -4.456 1.00 0.00 C ATOM 479 O ASN A 31 6.865 3.448 -4.660 1.00 0.00 O ATOM 480 CB ASN A 31 6.200 1.865 -6.897 1.00 0.00 C ATOM 481 CG ASN A 31 6.206 3.345 -7.286 1.00 0.00 C ATOM 482 OD1 ASN A 31 5.261 3.835 -7.871 1.00 0.00 O ATOM 483 ND2 ASN A 31 7.240 4.082 -6.984 1.00 0.00 N ATOM 0 H ASN A 31 4.001 2.978 -6.362 1.00 0.00 H new ATOM 0 HA ASN A 31 5.407 0.632 -5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.222 1.490 -6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.690 1.279 -7.662 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.254 5.069 -7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.034 3.671 -6.493 1.00 0.00 H new ATOM 490 N TYR A 32 6.408 1.781 -3.301 1.00 0.00 N ATOM 491 CA TYR A 32 7.200 2.397 -2.202 1.00 0.00 C ATOM 492 C TYR A 32 8.665 1.985 -2.348 1.00 0.00 C ATOM 493 O TYR A 32 9.280 1.519 -1.409 1.00 0.00 O ATOM 494 CB TYR A 32 6.669 1.911 -0.852 1.00 0.00 C ATOM 495 CG TYR A 32 6.942 2.957 0.203 1.00 0.00 C ATOM 496 CD1 TYR A 32 8.200 3.028 0.813 1.00 0.00 C ATOM 497 CD2 TYR A 32 5.935 3.859 0.568 1.00 0.00 C ATOM 498 CE1 TYR A 32 8.451 3.999 1.790 1.00 0.00 C ATOM 499 CE2 TYR A 32 6.185 4.829 1.546 1.00 0.00 C ATOM 500 CZ TYR A 32 7.443 4.901 2.157 1.00 0.00 C ATOM 501 OH TYR A 32 7.688 5.857 3.122 1.00 0.00 O ATOM 0 H TYR A 32 5.968 0.889 -3.073 1.00 0.00 H new ATOM 0 HA TYR A 32 7.114 3.482 -2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.598 1.717 -0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.147 0.970 -0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.977 2.334 0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.965 3.806 0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.421 4.053 2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.407 5.522 1.830 1.00 0.00 H new ATOM 0 HH TYR A 32 6.884 6.401 3.255 1.00 0.00 H new ATOM 511 N GLU A 33 9.218 2.151 -3.525 1.00 0.00 N ATOM 512 CA GLU A 33 10.644 1.774 -3.767 1.00 0.00 C ATOM 513 C GLU A 33 11.009 0.546 -2.933 1.00 0.00 C ATOM 514 O GLU A 33 11.566 0.657 -1.859 1.00 0.00 O ATOM 515 CB GLU A 33 11.552 2.945 -3.387 1.00 0.00 C ATOM 516 CG GLU A 33 12.495 3.257 -4.552 1.00 0.00 C ATOM 517 CD GLU A 33 12.229 4.676 -5.059 1.00 0.00 C ATOM 518 OE1 GLU A 33 12.756 5.604 -4.469 1.00 0.00 O ATOM 519 OE2 GLU A 33 11.503 4.810 -6.030 1.00 0.00 O ATOM 0 H GLU A 33 8.735 2.536 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 33 10.778 1.537 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.951 3.822 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.128 2.698 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.532 3.163 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.345 2.538 -5.357 1.00 0.00 H new ATOM 526 N GLY A 34 10.692 -0.621 -3.414 1.00 0.00 N ATOM 527 CA GLY A 34 11.013 -1.852 -2.645 1.00 0.00 C ATOM 528 C GLY A 34 9.713 -2.515 -2.193 1.00 0.00 C ATOM 529 O GLY A 34 9.569 -3.720 -2.245 1.00 0.00 O ATOM 0 H GLY A 34 10.224 -0.776 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.591 -2.540 -3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.629 -1.605 -1.780 1.00 0.00 H new ATOM 533 N CYS A 35 8.758 -1.738 -1.752 1.00 0.00 N ATOM 534 CA CYS A 35 7.468 -2.334 -1.304 1.00 0.00 C ATOM 535 C CYS A 35 6.353 -1.921 -2.267 1.00 0.00 C ATOM 536 O CYS A 35 6.544 -1.086 -3.127 1.00 0.00 O ATOM 537 CB CYS A 35 7.137 -1.841 0.104 1.00 0.00 C ATOM 538 SG CYS A 35 7.363 -3.197 1.281 1.00 0.00 S ATOM 0 H CYS A 35 8.816 -0.722 -1.683 1.00 0.00 H new ATOM 0 HA CYS A 35 7.555 -3.420 -1.295 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.781 -1.003 0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.110 -1.478 0.143 1.00 0.00 H new ATOM 543 N LEU A 36 5.193 -2.498 -2.126 1.00 0.00 N ATOM 544 CA LEU A 36 4.066 -2.133 -3.031 1.00 0.00 C ATOM 545 C LEU A 36 2.745 -2.169 -2.268 1.00 0.00 C ATOM 546 O LEU A 36 2.316 -3.211 -1.798 1.00 0.00 O ATOM 547 CB LEU A 36 3.977 -3.122 -4.189 1.00 0.00 C ATOM 548 CG LEU A 36 2.832 -2.691 -5.102 1.00 0.00 C ATOM 549 CD1 LEU A 36 3.327 -1.587 -6.038 1.00 0.00 C ATOM 550 CD2 LEU A 36 2.345 -3.887 -5.924 1.00 0.00 C ATOM 0 H LEU A 36 4.976 -3.206 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 36 4.250 -1.129 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.916 -3.144 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.804 -4.131 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 36 2.005 -2.317 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.514 -1.274 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.666 -0.735 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.154 -1.964 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.528 -3.573 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.165 -4.269 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.995 -4.671 -5.253 1.00 0.00 H new ATOM 562 N TRP A 37 2.087 -1.044 -2.163 1.00 0.00 N ATOM 563 CA TRP A 37 0.783 -1.003 -1.449 1.00 0.00 C ATOM 564 C TRP A 37 -0.356 -1.138 -2.468 1.00 0.00 C ATOM 565 O TRP A 37 -0.126 -1.243 -3.657 1.00 0.00 O ATOM 566 CB TRP A 37 0.651 0.318 -0.692 1.00 0.00 C ATOM 567 CG TRP A 37 1.858 0.534 0.157 1.00 0.00 C ATOM 568 CD1 TRP A 37 3.103 0.793 -0.302 1.00 0.00 C ATOM 569 CD2 TRP A 37 1.947 0.519 1.608 1.00 0.00 C ATOM 570 NE1 TRP A 37 3.953 0.939 0.779 1.00 0.00 N ATOM 571 CE2 TRP A 37 3.285 0.779 1.980 1.00 0.00 C ATOM 572 CE3 TRP A 37 1.003 0.305 2.629 1.00 0.00 C ATOM 573 CZ2 TRP A 37 3.670 0.828 3.319 1.00 0.00 C ATOM 574 CZ3 TRP A 37 1.384 0.351 3.974 1.00 0.00 C ATOM 575 CH2 TRP A 37 2.717 0.612 4.321 1.00 0.00 C ATOM 0 H TRP A 37 2.400 -0.151 -2.543 1.00 0.00 H new ATOM 0 HA TRP A 37 0.730 -1.826 -0.736 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.538 1.142 -1.396 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.245 0.304 -0.071 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.387 0.873 -1.341 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.950 1.140 0.701 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.026 0.103 2.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.698 1.031 3.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.649 0.185 4.748 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.008 0.646 5.360 1.00 0.00 H new ATOM 586 N ASN A 38 -1.582 -1.152 -2.010 1.00 0.00 N ATOM 587 CA ASN A 38 -2.733 -1.310 -2.948 1.00 0.00 C ATOM 588 C ASN A 38 -3.891 -0.400 -2.530 1.00 0.00 C ATOM 589 O ASN A 38 -4.498 -0.583 -1.490 1.00 0.00 O ATOM 590 CB ASN A 38 -3.189 -2.782 -2.916 1.00 0.00 C ATOM 591 CG ASN A 38 -4.674 -2.919 -3.276 1.00 0.00 C ATOM 592 OD1 ASN A 38 -5.219 -2.080 -4.107 1.00 0.00 O flip ATOM 593 ND2 ASN A 38 -5.346 -3.806 -2.789 1.00 0.00 N flip ATOM 0 H ASN A 38 -1.835 -1.061 -1.026 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.425 -1.031 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.589 -3.365 -3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.015 -3.196 -1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.923 -4.467 -2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.333 -3.890 -3.032 1.00 0.00 H new ATOM 600 N ALA A 39 -4.221 0.557 -3.356 1.00 0.00 N ATOM 601 CA ALA A 39 -5.358 1.459 -3.036 1.00 0.00 C ATOM 602 C ALA A 39 -6.649 0.813 -3.544 1.00 0.00 C ATOM 603 O ALA A 39 -6.716 0.329 -4.665 1.00 0.00 O ATOM 604 CB ALA A 39 -5.151 2.810 -3.724 1.00 0.00 C ATOM 0 H ALA A 39 -3.749 0.751 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.419 1.617 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.986 3.470 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.222 3.259 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.097 2.664 -4.803 1.00 0.00 H new ATOM 610 N THR A 40 -7.667 0.785 -2.724 1.00 0.00 N ATOM 611 CA THR A 40 -8.948 0.156 -3.147 1.00 0.00 C ATOM 612 C THR A 40 -10.130 1.038 -2.737 1.00 0.00 C ATOM 613 O THR A 40 -10.995 1.342 -3.534 1.00 0.00 O ATOM 614 CB THR A 40 -9.081 -1.213 -2.471 1.00 0.00 C ATOM 615 OG1 THR A 40 -10.379 -1.735 -2.718 1.00 0.00 O ATOM 616 CG2 THR A 40 -8.863 -1.065 -0.962 1.00 0.00 C ATOM 0 H THR A 40 -7.664 1.171 -1.780 1.00 0.00 H new ATOM 0 HA THR A 40 -8.950 0.041 -4.231 1.00 0.00 H new ATOM 0 HB THR A 40 -8.332 -1.894 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.466 -2.611 -2.288 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.958 -2.040 -0.483 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.866 -0.665 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.609 -0.385 -0.552 1.00 0.00 H new ATOM 624 N GLY A 41 -10.182 1.444 -1.496 1.00 0.00 N ATOM 625 CA GLY A 41 -11.316 2.295 -1.034 1.00 0.00 C ATOM 626 C GLY A 41 -11.090 3.748 -1.456 1.00 0.00 C ATOM 627 O GLY A 41 -10.397 4.028 -2.413 1.00 0.00 O ATOM 0 H GLY A 41 -9.488 1.223 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.252 1.927 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.409 2.233 0.050 1.00 0.00 H new ATOM 631 N VAL A 42 -11.678 4.674 -0.747 1.00 0.00 N ATOM 632 CA VAL A 42 -11.508 6.110 -1.101 1.00 0.00 C ATOM 633 C VAL A 42 -10.042 6.507 -0.927 1.00 0.00 C ATOM 634 O VAL A 42 -9.365 6.037 -0.036 1.00 0.00 O ATOM 635 CB VAL A 42 -12.379 6.964 -0.179 1.00 0.00 C ATOM 636 CG1 VAL A 42 -12.182 8.441 -0.519 1.00 0.00 C ATOM 637 CG2 VAL A 42 -13.849 6.584 -0.372 1.00 0.00 C ATOM 0 H VAL A 42 -12.270 4.496 0.064 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.807 6.269 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.093 6.790 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.802 9.051 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.135 8.709 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.468 8.617 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.471 7.192 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.137 6.759 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.987 5.530 -0.130 1.00 0.00 H new ATOM 647 N VAL A 43 -9.544 7.365 -1.775 1.00 0.00 N ATOM 648 CA VAL A 43 -8.121 7.782 -1.655 1.00 0.00 C ATOM 649 C VAL A 43 -7.976 9.256 -2.036 1.00 0.00 C ATOM 650 O VAL A 43 -8.095 9.622 -3.188 1.00 0.00 O ATOM 651 CB VAL A 43 -7.269 6.932 -2.596 1.00 0.00 C ATOM 652 CG1 VAL A 43 -5.825 6.906 -2.094 1.00 0.00 C ATOM 653 CG2 VAL A 43 -7.822 5.506 -2.634 1.00 0.00 C ATOM 0 H VAL A 43 -10.060 7.793 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.790 7.644 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.297 7.360 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.217 6.299 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.431 7.922 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.796 6.478 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.215 4.898 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.794 5.078 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.851 5.524 -2.992 1.00 0.00 H new ATOM 663 N VAL A 44 -7.710 10.102 -1.079 1.00 0.00 N ATOM 664 CA VAL A 44 -7.545 11.549 -1.394 1.00 0.00 C ATOM 665 C VAL A 44 -6.588 11.691 -2.580 1.00 0.00 C ATOM 666 O VAL A 44 -5.387 11.583 -2.436 1.00 0.00 O ATOM 667 CB VAL A 44 -6.963 12.271 -0.177 1.00 0.00 C ATOM 668 CG1 VAL A 44 -6.651 13.722 -0.543 1.00 0.00 C ATOM 669 CG2 VAL A 44 -7.979 12.241 0.967 1.00 0.00 C ATOM 0 H VAL A 44 -7.600 9.855 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.511 11.988 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.046 11.772 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.237 14.235 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.927 13.744 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.567 14.223 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.565 12.755 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.896 12.740 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.201 11.207 1.230 1.00 0.00 H new ATOM 679 N CYS A 45 -7.109 11.916 -3.756 1.00 0.00 N ATOM 680 CA CYS A 45 -6.224 12.046 -4.946 1.00 0.00 C ATOM 681 C CYS A 45 -6.111 13.512 -5.365 1.00 0.00 C ATOM 682 O CYS A 45 -7.075 14.252 -5.360 1.00 0.00 O ATOM 683 CB CYS A 45 -6.801 11.221 -6.099 1.00 0.00 C ATOM 684 SG CYS A 45 -6.047 9.575 -6.092 1.00 0.00 S ATOM 0 H CYS A 45 -8.107 12.015 -3.943 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.230 11.678 -4.693 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.883 11.138 -5.997 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.608 11.718 -7.050 1.00 0.00 H new ATOM 689 N THR A 46 -4.930 13.930 -5.733 1.00 0.00 N ATOM 690 CA THR A 46 -4.724 15.339 -6.163 1.00 0.00 C ATOM 691 C THR A 46 -3.745 15.365 -7.339 1.00 0.00 C ATOM 692 O THR A 46 -2.978 14.433 -7.549 1.00 0.00 O ATOM 693 CB THR A 46 -4.151 16.153 -5.000 1.00 0.00 C ATOM 694 OG1 THR A 46 -3.585 17.357 -5.499 1.00 0.00 O ATOM 695 CG2 THR A 46 -3.072 15.337 -4.288 1.00 0.00 C ATOM 0 H THR A 46 -4.092 13.348 -5.754 1.00 0.00 H new ATOM 0 HA THR A 46 -5.676 15.773 -6.468 1.00 0.00 H new ATOM 0 HB THR A 46 -4.948 16.391 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.219 17.880 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.664 15.917 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.507 14.414 -3.905 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.274 15.097 -4.991 1.00 0.00 H new ATOM 703 N GLY A 47 -3.769 16.420 -8.110 1.00 0.00 N ATOM 704 CA GLY A 47 -2.853 16.509 -9.278 1.00 0.00 C ATOM 705 C GLY A 47 -3.195 15.388 -10.252 1.00 0.00 C ATOM 706 O GLY A 47 -2.424 14.476 -10.456 1.00 0.00 O ATOM 0 H GLY A 47 -4.385 17.223 -7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.956 17.478 -9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.816 16.424 -8.953 1.00 0.00 H new ATOM 710 N ASP A 48 -4.360 15.428 -10.838 1.00 0.00 N ATOM 711 CA ASP A 48 -4.749 14.338 -11.774 1.00 0.00 C ATOM 712 C ASP A 48 -4.827 13.026 -10.993 1.00 0.00 C ATOM 713 O ASP A 48 -4.933 11.956 -11.560 1.00 0.00 O ATOM 714 CB ASP A 48 -3.700 14.202 -12.872 1.00 0.00 C ATOM 715 CG ASP A 48 -4.152 14.967 -14.118 1.00 0.00 C ATOM 716 OD1 ASP A 48 -5.177 15.624 -14.046 1.00 0.00 O ATOM 717 OD2 ASP A 48 -3.464 14.882 -15.123 1.00 0.00 O ATOM 0 H ASP A 48 -5.055 16.164 -10.710 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.714 14.569 -12.225 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.743 14.590 -12.523 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.549 13.150 -13.115 1.00 0.00 H new ATOM 722 N GLU A 49 -4.771 13.105 -9.691 1.00 0.00 N ATOM 723 CA GLU A 49 -4.836 11.879 -8.856 1.00 0.00 C ATOM 724 C GLU A 49 -3.494 11.145 -8.886 1.00 0.00 C ATOM 725 O GLU A 49 -3.304 10.169 -8.188 1.00 0.00 O ATOM 726 CB GLU A 49 -5.941 10.956 -9.374 1.00 0.00 C ATOM 727 CG GLU A 49 -7.189 11.781 -9.693 1.00 0.00 C ATOM 728 CD GLU A 49 -7.668 11.456 -11.110 1.00 0.00 C ATOM 729 OE1 GLU A 49 -8.066 10.324 -11.335 1.00 0.00 O ATOM 730 OE2 GLU A 49 -7.626 12.342 -11.946 1.00 0.00 O ATOM 0 H GLU A 49 -4.682 13.976 -9.168 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.058 12.166 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.602 10.431 -10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.175 10.197 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.977 11.562 -8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.966 12.845 -9.608 1.00 0.00 H new ATOM 737 N THR A 50 -2.552 11.598 -9.670 1.00 0.00 N ATOM 738 CA THR A 50 -1.240 10.895 -9.693 1.00 0.00 C ATOM 739 C THR A 50 -0.765 10.721 -8.256 1.00 0.00 C ATOM 740 O THR A 50 -0.181 9.717 -7.905 1.00 0.00 O ATOM 741 CB THR A 50 -0.206 11.703 -10.480 1.00 0.00 C ATOM 742 OG1 THR A 50 -0.645 13.044 -10.616 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.026 11.075 -11.861 1.00 0.00 C ATOM 0 H THR A 50 -2.632 12.409 -10.284 1.00 0.00 H new ATOM 0 HA THR A 50 -1.356 9.926 -10.179 1.00 0.00 H new ATOM 0 HB THR A 50 0.745 11.695 -9.948 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.268 13.259 -9.891 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.710 11.646 -12.427 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.319 10.047 -11.751 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.978 11.083 -12.391 1.00 0.00 H new ATOM 751 N GLN A 51 -1.038 11.678 -7.409 1.00 0.00 N ATOM 752 CA GLN A 51 -0.625 11.542 -5.989 1.00 0.00 C ATOM 753 C GLN A 51 -1.868 11.195 -5.183 1.00 0.00 C ATOM 754 O GLN A 51 -2.940 11.687 -5.461 1.00 0.00 O ATOM 755 CB GLN A 51 -0.033 12.861 -5.484 1.00 0.00 C ATOM 756 CG GLN A 51 0.822 13.494 -6.583 1.00 0.00 C ATOM 757 CD GLN A 51 1.176 14.932 -6.195 1.00 0.00 C ATOM 758 OE1 GLN A 51 0.217 15.791 -5.968 1.00 0.00 O flip ATOM 759 NE2 GLN A 51 2.336 15.278 -6.094 1.00 0.00 N flip ATOM 0 H GLN A 51 -1.527 12.543 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 51 0.133 10.766 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.833 13.542 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.573 12.683 -4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.732 12.912 -6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.281 13.485 -7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.085 14.609 -6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.561 16.238 -5.832 1.00 0.00 H new ATOM 768 N CYS A 52 -1.766 10.343 -4.205 1.00 0.00 N ATOM 769 CA CYS A 52 -3.002 10.002 -3.451 1.00 0.00 C ATOM 770 C CYS A 52 -2.679 9.503 -2.039 1.00 0.00 C ATOM 771 O CYS A 52 -1.574 9.090 -1.744 1.00 0.00 O ATOM 772 CB CYS A 52 -3.763 8.915 -4.214 1.00 0.00 C ATOM 773 SG CYS A 52 -5.541 9.258 -4.159 1.00 0.00 S ATOM 0 H CYS A 52 -0.910 9.880 -3.901 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.610 10.902 -3.358 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.422 8.878 -5.249 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.558 7.938 -3.775 1.00 0.00 H new ATOM 778 N TYR A 53 -3.658 9.535 -1.169 1.00 0.00 N ATOM 779 CA TYR A 53 -3.449 9.060 0.228 1.00 0.00 C ATOM 780 C TYR A 53 -4.702 8.307 0.692 1.00 0.00 C ATOM 781 O TYR A 53 -5.786 8.507 0.179 1.00 0.00 O ATOM 782 CB TYR A 53 -3.178 10.266 1.148 1.00 0.00 C ATOM 783 CG TYR A 53 -3.616 9.963 2.571 1.00 0.00 C ATOM 784 CD1 TYR A 53 -2.730 9.357 3.472 1.00 0.00 C ATOM 785 CD2 TYR A 53 -4.916 10.284 2.981 1.00 0.00 C ATOM 786 CE1 TYR A 53 -3.145 9.074 4.781 1.00 0.00 C ATOM 787 CE2 TYR A 53 -5.330 10.003 4.289 1.00 0.00 C ATOM 788 CZ TYR A 53 -4.445 9.397 5.189 1.00 0.00 C ATOM 789 OH TYR A 53 -4.854 9.119 6.476 1.00 0.00 O ATOM 0 H TYR A 53 -4.599 9.873 -1.371 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.591 8.389 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.116 10.510 1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.711 11.141 0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.727 9.108 3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.601 10.749 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.462 8.607 5.475 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.332 10.254 4.604 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.783 9.408 6.594 1.00 0.00 H new ATOM 799 N GLY A 54 -4.558 7.443 1.659 1.00 0.00 N ATOM 800 CA GLY A 54 -5.733 6.674 2.160 1.00 0.00 C ATOM 801 C GLY A 54 -5.272 5.280 2.588 1.00 0.00 C ATOM 802 O GLY A 54 -4.247 5.126 3.222 1.00 0.00 O ATOM 0 H GLY A 54 -3.675 7.236 2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.192 7.193 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.492 6.597 1.381 1.00 0.00 H new ATOM 806 N THR A 55 -6.011 4.262 2.245 1.00 0.00 N ATOM 807 CA THR A 55 -5.592 2.888 2.633 1.00 0.00 C ATOM 808 C THR A 55 -4.989 2.182 1.425 1.00 0.00 C ATOM 809 O THR A 55 -5.618 2.017 0.398 1.00 0.00 O ATOM 810 CB THR A 55 -6.795 2.080 3.122 1.00 0.00 C ATOM 811 OG1 THR A 55 -7.898 2.302 2.255 1.00 0.00 O ATOM 812 CG2 THR A 55 -7.159 2.512 4.538 1.00 0.00 C ATOM 0 H THR A 55 -6.881 4.322 1.716 1.00 0.00 H new ATOM 0 HA THR A 55 -4.857 2.963 3.435 1.00 0.00 H new ATOM 0 HB THR A 55 -6.544 1.019 3.123 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.575 2.409 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.016 1.935 4.885 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.312 2.337 5.201 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.410 3.573 4.542 1.00 0.00 H new ATOM 820 N TRP A 56 -3.775 1.757 1.558 1.00 0.00 N ATOM 821 CA TRP A 56 -3.092 1.046 0.455 1.00 0.00 C ATOM 822 C TRP A 56 -2.671 -0.356 0.920 1.00 0.00 C ATOM 823 O TRP A 56 -1.521 -0.595 1.200 1.00 0.00 O ATOM 824 CB TRP A 56 -1.853 1.831 0.114 1.00 0.00 C ATOM 825 CG TRP A 56 -2.224 3.241 -0.162 1.00 0.00 C ATOM 826 CD1 TRP A 56 -2.530 4.168 0.771 1.00 0.00 C ATOM 827 CD2 TRP A 56 -2.341 3.892 -1.449 1.00 0.00 C ATOM 828 NE1 TRP A 56 -2.827 5.357 0.132 1.00 0.00 N ATOM 829 CE2 TRP A 56 -2.723 5.235 -1.244 1.00 0.00 C ATOM 830 CE3 TRP A 56 -2.150 3.442 -2.764 1.00 0.00 C ATOM 831 CZ2 TRP A 56 -2.910 6.109 -2.315 1.00 0.00 C ATOM 832 CZ3 TRP A 56 -2.337 4.312 -3.845 1.00 0.00 C ATOM 833 CH2 TRP A 56 -2.716 5.646 -3.623 1.00 0.00 C ATOM 0 H TRP A 56 -3.214 1.874 2.402 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.756 0.953 -0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.142 1.785 0.939 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.361 1.396 -0.756 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.541 4.007 1.839 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.090 6.217 0.613 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -1.857 2.418 -2.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.202 7.134 -2.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.189 3.956 -4.854 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.858 6.314 -4.460 1.00 0.00 H new ATOM 844 N VAL A 57 -3.579 -1.274 1.037 1.00 0.00 N ATOM 845 CA VAL A 57 -3.189 -2.639 1.518 1.00 0.00 C ATOM 846 C VAL A 57 -1.868 -3.088 0.861 1.00 0.00 C ATOM 847 O VAL A 57 -1.721 -3.008 -0.339 1.00 0.00 O ATOM 848 CB VAL A 57 -4.299 -3.628 1.156 1.00 0.00 C ATOM 849 CG1 VAL A 57 -3.958 -5.010 1.719 1.00 0.00 C ATOM 850 CG2 VAL A 57 -5.623 -3.147 1.752 1.00 0.00 C ATOM 0 H VAL A 57 -4.569 -1.150 0.825 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.047 -2.610 2.598 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.389 -3.691 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.749 -5.714 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.015 -5.353 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.867 -4.949 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.415 -3.851 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.532 -3.083 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.867 -2.164 1.350 1.00 0.00 H new ATOM 860 N PRO A 58 -0.943 -3.560 1.672 1.00 0.00 N ATOM 861 CA PRO A 58 0.370 -4.036 1.192 1.00 0.00 C ATOM 862 C PRO A 58 0.217 -5.419 0.551 1.00 0.00 C ATOM 863 O PRO A 58 -0.465 -6.280 1.069 1.00 0.00 O ATOM 864 CB PRO A 58 1.230 -4.082 2.465 1.00 0.00 C ATOM 865 CG PRO A 58 0.246 -4.153 3.656 1.00 0.00 C ATOM 866 CD PRO A 58 -1.123 -3.671 3.132 1.00 0.00 C ATOM 0 HA PRO A 58 0.817 -3.401 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.891 -4.949 2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.864 -3.198 2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.177 -5.171 4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.588 -3.525 4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.914 -4.378 3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.401 -2.713 3.571 1.00 0.00 H new ATOM 874 N ILE A 59 0.819 -5.630 -0.592 1.00 0.00 N ATOM 875 CA ILE A 59 0.667 -6.948 -1.270 1.00 0.00 C ATOM 876 C ILE A 59 1.968 -7.385 -1.938 1.00 0.00 C ATOM 877 O ILE A 59 2.253 -8.563 -2.022 1.00 0.00 O ATOM 878 CB ILE A 59 -0.405 -6.842 -2.357 1.00 0.00 C ATOM 879 CG1 ILE A 59 -0.189 -5.551 -3.166 1.00 0.00 C ATOM 880 CG2 ILE A 59 -1.796 -6.847 -1.719 1.00 0.00 C ATOM 881 CD1 ILE A 59 -0.847 -4.350 -2.473 1.00 0.00 C ATOM 0 H ILE A 59 1.404 -4.952 -1.080 1.00 0.00 H new ATOM 0 HA ILE A 59 0.389 -7.679 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.329 -7.697 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.879 -5.367 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.605 -5.671 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.554 -6.771 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.938 -7.774 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.888 -5.999 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.679 -3.451 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.918 -4.527 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.412 -4.218 -1.482 1.00 0.00 H new ATOM 893 N GLY A 60 2.748 -6.475 -2.455 1.00 0.00 N ATOM 894 CA GLY A 60 3.987 -6.926 -3.148 1.00 0.00 C ATOM 895 C GLY A 60 5.164 -6.000 -2.863 1.00 0.00 C ATOM 896 O GLY A 60 5.127 -5.175 -1.973 1.00 0.00 O ATOM 0 H GLY A 60 2.588 -5.468 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.235 -7.938 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.808 -6.967 -4.222 1.00 0.00 H new ATOM 900 N LEU A 61 6.220 -6.154 -3.616 1.00 0.00 N ATOM 901 CA LEU A 61 7.427 -5.311 -3.407 1.00 0.00 C ATOM 902 C LEU A 61 7.371 -4.064 -4.298 1.00 0.00 C ATOM 903 O LEU A 61 7.930 -3.040 -3.963 1.00 0.00 O ATOM 904 CB LEU A 61 8.676 -6.125 -3.751 1.00 0.00 C ATOM 905 CG LEU A 61 8.515 -7.557 -3.237 1.00 0.00 C ATOM 906 CD1 LEU A 61 9.860 -8.280 -3.308 1.00 0.00 C ATOM 907 CD2 LEU A 61 8.026 -7.529 -1.786 1.00 0.00 C ATOM 0 H LEU A 61 6.296 -6.834 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 61 7.462 -4.996 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.833 -6.131 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.557 -5.664 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 61 7.787 -8.083 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.745 -9.300 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.207 -8.303 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.589 -7.754 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.912 -8.550 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.752 -7.002 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.066 -7.016 -1.736 1.00 0.00 H new ATOM 919 N ALA A 62 6.711 -4.121 -5.429 1.00 0.00 N ATOM 920 CA ALA A 62 6.662 -2.900 -6.290 1.00 0.00 C ATOM 921 C ALA A 62 6.045 -3.188 -7.670 1.00 0.00 C ATOM 922 O ALA A 62 6.618 -2.828 -8.674 1.00 0.00 O ATOM 923 CB ALA A 62 8.085 -2.376 -6.478 1.00 0.00 C ATOM 0 H ALA A 62 6.216 -4.938 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 62 6.033 -2.161 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.065 -1.484 -7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.512 -2.127 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.695 -3.142 -6.957 1.00 0.00 H new ATOM 929 N ILE A 63 4.863 -3.777 -7.711 1.00 0.00 N ATOM 930 CA ILE A 63 4.155 -4.046 -9.019 1.00 0.00 C ATOM 931 C ILE A 63 3.252 -5.307 -8.965 1.00 0.00 C ATOM 932 O ILE A 63 2.246 -5.329 -9.642 1.00 0.00 O ATOM 933 CB ILE A 63 5.150 -4.148 -10.199 1.00 0.00 C ATOM 934 CG1 ILE A 63 5.195 -2.787 -10.912 1.00 0.00 C ATOM 935 CG2 ILE A 63 4.708 -5.217 -11.212 1.00 0.00 C ATOM 936 CD1 ILE A 63 3.788 -2.408 -11.399 1.00 0.00 C ATOM 0 H ILE A 63 4.352 -4.087 -6.884 1.00 0.00 H new ATOM 0 HA ILE A 63 3.505 -3.187 -9.187 1.00 0.00 H new ATOM 0 HB ILE A 63 6.129 -4.426 -9.808 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.573 -2.023 -10.233 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.883 -2.831 -11.757 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.428 -5.264 -12.029 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.656 -6.187 -10.718 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.726 -4.959 -11.608 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.825 -1.443 -11.904 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.427 -3.167 -12.093 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.112 -2.346 -10.546 1.00 0.00 H new ATOM 948 N PRO A 64 3.602 -6.326 -8.207 1.00 0.00 N ATOM 949 CA PRO A 64 2.770 -7.545 -8.149 1.00 0.00 C ATOM 950 C PRO A 64 1.461 -7.304 -7.391 1.00 0.00 C ATOM 951 O PRO A 64 1.399 -6.540 -6.448 1.00 0.00 O ATOM 952 CB PRO A 64 3.665 -8.577 -7.457 1.00 0.00 C ATOM 953 CG PRO A 64 4.754 -7.783 -6.704 1.00 0.00 C ATOM 954 CD PRO A 64 4.806 -6.380 -7.346 1.00 0.00 C ATOM 0 HA PRO A 64 2.451 -7.881 -9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.086 -9.191 -6.767 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.112 -9.253 -8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.518 -7.714 -5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.720 -8.281 -6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.789 -5.596 -6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.717 -6.242 -7.928 1.00 0.00 H new ATOM 962 N GLU A 65 0.408 -7.948 -7.829 1.00 0.00 N ATOM 963 CA GLU A 65 -0.922 -7.767 -7.180 1.00 0.00 C ATOM 964 C GLU A 65 -1.477 -9.129 -6.756 1.00 0.00 C ATOM 965 O GLU A 65 -0.787 -10.128 -6.788 1.00 0.00 O ATOM 966 CB GLU A 65 -1.876 -7.110 -8.186 1.00 0.00 C ATOM 967 CG GLU A 65 -1.462 -5.647 -8.374 1.00 0.00 C ATOM 968 CD GLU A 65 -0.289 -5.547 -9.354 1.00 0.00 C ATOM 969 OE1 GLU A 65 0.178 -6.580 -9.802 1.00 0.00 O ATOM 970 OE2 GLU A 65 0.114 -4.432 -9.647 1.00 0.00 O ATOM 0 H GLU A 65 0.416 -8.597 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.822 -7.135 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.842 -7.638 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.903 -7.169 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.307 -5.068 -8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.180 -5.216 -7.414 1.00 0.00 H new