USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 271 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 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot 178:sc= 1.19 USER MOD Single : A 1 GLU N :NH3+ 154:sc= -0.196 (180deg=-1.08) USER MOD Single : A 7 LYS NZ :NH3+ -123:sc= -0.567 (180deg=-1.96) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0562 F(o=-1,f=-0.056) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0689 USER MOD Single : A 13 ASN : amide:sc= -0.395 X(o=-0.4,f=-0.023) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -19:sc= 0.333 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= -0.0161 (180deg=-0.219) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.795 K(o=-0.79,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.620 0.416 -2.139 1.00 0.00 N ATOM 2 CA GLU A 1 2.192 -0.249 -0.974 1.00 0.00 C ATOM 3 C GLU A 1 2.851 -1.567 -1.369 1.00 0.00 C ATOM 4 O GLU A 1 2.957 -2.489 -0.559 1.00 0.00 O ATOM 5 CB GLU A 1 1.111 -0.502 0.079 1.00 0.00 C ATOM 6 CG GLU A 1 -0.040 -1.357 -0.423 1.00 0.00 C ATOM 7 CD GLU A 1 -1.349 -1.038 0.271 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.338 -0.866 1.508 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.385 -0.961 -0.422 1.00 0.00 O ATOM 0 H1 GLU A 1 0.837 1.030 -1.838 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.351 0.990 -2.605 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.264 -0.298 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 1 2.954 0.406 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.564 -0.989 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.719 0.455 0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.157 -1.209 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.201 -2.409 -0.271 1.00 0.00 H new ATOM 16 N CYS A 2 3.292 -1.650 -2.620 1.00 0.00 N ATOM 17 CA CYS A 2 3.940 -2.855 -3.125 1.00 0.00 C ATOM 18 C CYS A 2 5.251 -2.514 -3.827 1.00 0.00 C ATOM 19 O CYS A 2 5.668 -1.355 -3.860 1.00 0.00 O ATOM 20 CB CYS A 2 3.009 -3.594 -4.089 1.00 0.00 C ATOM 21 SG CYS A 2 2.210 -2.517 -5.322 1.00 0.00 S ATOM 0 H CYS A 2 3.212 -0.897 -3.303 1.00 0.00 H new ATOM 0 HA CYS A 2 4.161 -3.502 -2.276 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.579 -4.364 -4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.237 -4.104 -3.513 1.00 0.00 H new ATOM 26 N LEU A 3 5.896 -3.530 -4.388 1.00 0.00 N ATOM 27 CA LEU A 3 7.161 -3.339 -5.091 1.00 0.00 C ATOM 28 C LEU A 3 6.923 -2.858 -6.519 1.00 0.00 C ATOM 29 O LEU A 3 5.780 -2.736 -6.960 1.00 0.00 O ATOM 30 CB LEU A 3 7.960 -4.643 -5.106 1.00 0.00 C ATOM 31 CG LEU A 3 8.848 -4.900 -3.888 1.00 0.00 C ATOM 32 CD1 LEU A 3 8.213 -4.320 -2.633 1.00 0.00 C ATOM 33 CD2 LEU A 3 9.102 -6.391 -3.719 1.00 0.00 C ATOM 0 H LEU A 3 5.565 -4.495 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 3 7.732 -2.576 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.260 -5.473 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.588 -4.651 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 3 9.805 -4.404 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.859 -4.512 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.083 -3.245 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.242 -4.787 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.736 -6.556 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.153 -6.908 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.600 -6.778 -4.608 1.00 0.00 H new ATOM 45 N GLU A 4 8.009 -2.590 -7.236 1.00 0.00 N ATOM 46 CA GLU A 4 7.917 -2.124 -8.615 1.00 0.00 C ATOM 47 C GLU A 4 8.637 -3.080 -9.562 1.00 0.00 C ATOM 48 O GLU A 4 9.087 -4.152 -9.154 1.00 0.00 O ATOM 49 CB GLU A 4 8.511 -0.720 -8.743 1.00 0.00 C ATOM 50 CG GLU A 4 9.997 -0.656 -8.428 1.00 0.00 C ATOM 51 CD GLU A 4 10.709 0.441 -9.195 1.00 0.00 C ATOM 52 OE1 GLU A 4 10.381 0.645 -10.382 1.00 0.00 O ATOM 53 OE2 GLU A 4 11.595 1.096 -8.606 1.00 0.00 O ATOM 0 H GLU A 4 8.962 -2.687 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 4 6.863 -2.092 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.347 -0.357 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.977 -0.046 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.131 -0.492 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.456 -1.616 -8.664 1.00 0.00 H new ATOM 60 N ILE A 5 8.740 -2.686 -10.826 1.00 0.00 N ATOM 61 CA ILE A 5 9.405 -3.507 -11.830 1.00 0.00 C ATOM 62 C ILE A 5 10.919 -3.469 -11.657 1.00 0.00 C ATOM 63 O ILE A 5 11.487 -2.440 -11.292 1.00 0.00 O ATOM 64 CB ILE A 5 9.050 -3.049 -13.257 1.00 0.00 C ATOM 65 CG1 ILE A 5 7.662 -3.558 -13.650 1.00 0.00 C ATOM 66 CG2 ILE A 5 10.099 -3.537 -14.246 1.00 0.00 C ATOM 67 CD1 ILE A 5 7.589 -5.061 -13.800 1.00 0.00 C ATOM 0 H ILE A 5 8.371 -1.803 -11.180 1.00 0.00 H new ATOM 0 HA ILE A 5 9.052 -4.528 -11.687 1.00 0.00 H new ATOM 0 HB ILE A 5 9.036 -1.959 -13.280 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.941 -3.241 -12.897 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.366 -3.093 -14.590 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.834 -3.206 -15.250 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.073 -3.130 -13.974 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.142 -4.626 -14.223 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.576 -5.350 -14.080 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.285 -5.384 -14.574 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.853 -5.534 -12.854 1.00 0.00 H new ATOM 79 N PHE A 6 11.568 -4.598 -11.923 1.00 0.00 N ATOM 80 CA PHE A 6 13.018 -4.694 -11.798 1.00 0.00 C ATOM 81 C PHE A 6 13.446 -4.583 -10.338 1.00 0.00 C ATOM 82 O PHE A 6 14.595 -4.259 -10.038 1.00 0.00 O ATOM 83 CB PHE A 6 13.696 -3.599 -12.624 1.00 0.00 C ATOM 84 CG PHE A 6 14.438 -4.124 -13.820 1.00 0.00 C ATOM 85 CD1 PHE A 6 13.817 -4.977 -14.718 1.00 0.00 C ATOM 86 CD2 PHE A 6 15.757 -3.764 -14.047 1.00 0.00 C ATOM 87 CE1 PHE A 6 14.496 -5.462 -15.820 1.00 0.00 C ATOM 88 CE2 PHE A 6 16.441 -4.244 -15.147 1.00 0.00 C ATOM 89 CZ PHE A 6 15.810 -5.095 -16.034 1.00 0.00 C ATOM 0 H PHE A 6 11.113 -5.459 -12.226 1.00 0.00 H new ATOM 0 HA PHE A 6 13.327 -5.669 -12.176 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.941 -2.887 -12.958 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.391 -3.052 -11.987 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.789 -5.267 -14.555 1.00 0.00 H new ATOM 0 HD2 PHE A 6 16.256 -3.101 -13.356 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.000 -6.126 -16.512 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.468 -3.954 -15.314 1.00 0.00 H new ATOM 0 HZ PHE A 6 16.344 -5.473 -16.894 1.00 0.00 H new ATOM 99 N LYS A 7 12.513 -4.855 -9.431 1.00 0.00 N ATOM 100 CA LYS A 7 12.791 -4.787 -8.002 1.00 0.00 C ATOM 101 C LYS A 7 13.033 -6.180 -7.428 1.00 0.00 C ATOM 102 O LYS A 7 12.297 -7.120 -7.726 1.00 0.00 O ATOM 103 CB LYS A 7 11.629 -4.116 -7.266 1.00 0.00 C ATOM 104 CG LYS A 7 12.018 -3.532 -5.919 1.00 0.00 C ATOM 105 CD LYS A 7 12.378 -2.060 -6.033 1.00 0.00 C ATOM 106 CE LYS A 7 13.730 -1.866 -6.702 1.00 0.00 C ATOM 107 NZ LYS A 7 13.602 -1.721 -8.179 1.00 0.00 N ATOM 0 H LYS A 7 11.557 -5.125 -9.662 1.00 0.00 H new ATOM 0 HA LYS A 7 13.694 -4.193 -7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.223 -3.322 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.833 -4.846 -7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.193 -3.652 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.865 -4.084 -5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.610 -1.540 -6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.395 -1.611 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.215 -0.981 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.373 -2.716 -6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.176 -2.449 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.605 -1.834 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.935 -0.778 -8.465 1.00 0.00 H new ATOM 121 N ALA A 8 14.068 -6.303 -6.603 1.00 0.00 N ATOM 122 CA ALA A 8 14.404 -7.580 -5.986 1.00 0.00 C ATOM 123 C ALA A 8 13.182 -8.208 -5.324 1.00 0.00 C ATOM 124 O ALA A 8 12.693 -7.717 -4.306 1.00 0.00 O ATOM 125 CB ALA A 8 15.521 -7.397 -4.969 1.00 0.00 C ATOM 0 H ALA A 8 14.688 -5.534 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 8 14.748 -8.255 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.762 -8.359 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.405 -6.999 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.197 -6.702 -4.194 1.00 0.00 H new ATOM 131 N CYS A 9 12.692 -9.296 -5.909 1.00 0.00 N ATOM 132 CA CYS A 9 11.526 -9.992 -5.377 1.00 0.00 C ATOM 133 C CYS A 9 11.927 -11.322 -4.747 1.00 0.00 C ATOM 134 O CYS A 9 12.769 -12.045 -5.279 1.00 0.00 O ATOM 135 CB CYS A 9 10.499 -10.230 -6.486 1.00 0.00 C ATOM 136 SG CYS A 9 11.041 -11.412 -7.761 1.00 0.00 S ATOM 0 H CYS A 9 13.084 -9.715 -6.752 1.00 0.00 H new ATOM 0 HA CYS A 9 11.080 -9.364 -4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.574 -10.594 -6.038 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.269 -9.278 -6.963 1.00 0.00 H new ATOM 141 N ASN A 10 11.318 -11.639 -3.609 1.00 0.00 N ATOM 142 CA ASN A 10 11.611 -12.882 -2.905 1.00 0.00 C ATOM 143 C ASN A 10 10.355 -13.737 -2.764 1.00 0.00 C ATOM 144 O ASN A 10 9.229 -13.251 -2.871 1.00 0.00 O ATOM 145 CB ASN A 10 12.196 -12.584 -1.523 1.00 0.00 C ATOM 146 CG ASN A 10 13.702 -12.408 -1.559 1.00 0.00 C ATOM 147 OD1 ASN A 10 14.396 -13.369 -2.158 1.00 0.00 O flip ATOM 148 ND2 ASN A 10 14.235 -11.420 -1.054 1.00 0.00 N flip ATOM 0 H ASN A 10 10.618 -11.052 -3.155 1.00 0.00 H new ATOM 0 HA ASN A 10 12.343 -13.438 -3.490 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.737 -11.680 -1.124 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.944 -13.397 -0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.663 -10.706 -0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 10 15.249 -11.315 -1.086 1.00 0.00 H new ATOM 155 N PRO A 11 10.551 -15.040 -2.517 1.00 0.00 N ATOM 156 CA PRO A 11 9.446 -15.990 -2.355 1.00 0.00 C ATOM 157 C PRO A 11 8.671 -15.762 -1.062 1.00 0.00 C ATOM 158 O PRO A 11 7.449 -15.911 -1.025 1.00 0.00 O ATOM 159 CB PRO A 11 10.149 -17.350 -2.324 1.00 0.00 C ATOM 160 CG PRO A 11 11.528 -17.053 -1.845 1.00 0.00 C ATOM 161 CD PRO A 11 11.866 -15.688 -2.377 1.00 0.00 C ATOM 0 HA PRO A 11 8.707 -15.895 -3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.639 -18.044 -1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.164 -17.811 -3.312 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.575 -17.070 -0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.236 -17.799 -2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.513 -15.139 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.388 -15.747 -3.332 1.00 0.00 H new ATOM 169 N SER A 12 9.388 -15.400 -0.003 1.00 0.00 N ATOM 170 CA SER A 12 8.767 -15.154 1.293 1.00 0.00 C ATOM 171 C SER A 12 8.332 -13.697 1.419 1.00 0.00 C ATOM 172 O SER A 12 7.486 -13.360 2.247 1.00 0.00 O ATOM 173 CB SER A 12 9.736 -15.508 2.422 1.00 0.00 C ATOM 174 OG SER A 12 11.080 -15.291 2.028 1.00 0.00 O ATOM 0 H SER A 12 10.400 -15.271 -0.017 1.00 0.00 H new ATOM 0 HA SER A 12 7.883 -15.787 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.510 -14.905 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.601 -16.551 2.707 1.00 0.00 H new ATOM 0 HG SER A 12 11.679 -15.523 2.768 1.00 0.00 H new ATOM 180 N ASN A 13 8.917 -12.837 0.592 1.00 0.00 N ATOM 181 CA ASN A 13 8.591 -11.416 0.610 1.00 0.00 C ATOM 182 C ASN A 13 7.974 -10.982 -0.716 1.00 0.00 C ATOM 183 O ASN A 13 8.488 -10.088 -1.388 1.00 0.00 O ATOM 184 CB ASN A 13 9.844 -10.588 0.898 1.00 0.00 C ATOM 185 CG ASN A 13 9.518 -9.240 1.513 1.00 0.00 C ATOM 186 OD1 ASN A 13 9.130 -9.154 2.678 1.00 0.00 O ATOM 187 ND2 ASN A 13 9.675 -8.179 0.729 1.00 0.00 N ATOM 0 H ASN A 13 9.620 -13.100 -0.099 1.00 0.00 H new ATOM 0 HA ASN A 13 7.862 -11.246 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.496 -11.143 1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.397 -10.437 -0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.471 -7.246 1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.999 -8.298 -0.231 1.00 0.00 H new ATOM 194 N ASP A 14 6.869 -11.621 -1.085 1.00 0.00 N ATOM 195 CA ASP A 14 6.181 -11.300 -2.330 1.00 0.00 C ATOM 196 C ASP A 14 5.369 -10.017 -2.187 1.00 0.00 C ATOM 197 O ASP A 14 4.150 -10.020 -2.362 1.00 0.00 O ATOM 198 CB ASP A 14 5.266 -12.454 -2.744 1.00 0.00 C ATOM 199 CG ASP A 14 4.408 -12.952 -1.598 1.00 0.00 C ATOM 200 OD1 ASP A 14 3.887 -12.110 -0.837 1.00 0.00 O ATOM 201 OD2 ASP A 14 4.257 -14.184 -1.462 1.00 0.00 O ATOM 0 H ASP A 14 6.431 -12.364 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 14 6.934 -11.148 -3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.622 -12.128 -3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.872 -13.276 -3.124 1.00 0.00 H new ATOM 206 N GLN A 15 6.052 -8.922 -1.867 1.00 0.00 N ATOM 207 CA GLN A 15 5.392 -7.633 -1.698 1.00 0.00 C ATOM 208 C GLN A 15 4.907 -7.090 -3.039 1.00 0.00 C ATOM 209 O GLN A 15 4.007 -6.252 -3.092 1.00 0.00 O ATOM 210 CB GLN A 15 6.345 -6.631 -1.044 1.00 0.00 C ATOM 211 CG GLN A 15 6.538 -6.859 0.446 1.00 0.00 C ATOM 212 CD GLN A 15 7.101 -5.642 1.155 1.00 0.00 C ATOM 213 OE1 GLN A 15 7.979 -4.956 0.632 1.00 0.00 O ATOM 214 NE2 GLN A 15 6.596 -5.368 2.352 1.00 0.00 N ATOM 0 H GLN A 15 7.061 -8.902 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 15 4.527 -7.778 -1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.314 -6.687 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.963 -5.622 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.582 -7.127 0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.209 -7.705 0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.869 -5.964 2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.935 -4.561 2.876 1.00 0.00 H new ATOM 223 N CYS A 16 5.509 -7.574 -4.120 1.00 0.00 N ATOM 224 CA CYS A 16 5.139 -7.137 -5.461 1.00 0.00 C ATOM 225 C CYS A 16 3.631 -7.241 -5.671 1.00 0.00 C ATOM 226 O CYS A 16 3.011 -8.242 -5.313 1.00 0.00 O ATOM 227 CB CYS A 16 5.870 -7.975 -6.512 1.00 0.00 C ATOM 228 SG CYS A 16 6.782 -6.991 -7.745 1.00 0.00 S ATOM 0 H CYS A 16 6.255 -8.269 -4.094 1.00 0.00 H new ATOM 0 HA CYS A 16 5.432 -6.093 -5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.568 -8.643 -6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.145 -8.603 -7.029 1.00 0.00 H new ATOM 233 N CYS A 17 3.048 -6.199 -6.253 1.00 0.00 N ATOM 234 CA CYS A 17 1.613 -6.171 -6.511 1.00 0.00 C ATOM 235 C CYS A 17 1.218 -7.256 -7.509 1.00 0.00 C ATOM 236 O CYS A 17 1.309 -7.063 -8.722 1.00 0.00 O ATOM 237 CB CYS A 17 1.196 -4.798 -7.042 1.00 0.00 C ATOM 238 SG CYS A 17 0.524 -3.681 -5.769 1.00 0.00 S ATOM 0 H CYS A 17 3.547 -5.362 -6.555 1.00 0.00 H new ATOM 0 HA CYS A 17 1.096 -6.362 -5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.059 -4.323 -7.508 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.447 -4.934 -7.822 1.00 0.00 H new ATOM 243 N LYS A 18 0.780 -8.398 -6.990 1.00 0.00 N ATOM 244 CA LYS A 18 0.369 -9.514 -7.834 1.00 0.00 C ATOM 245 C LYS A 18 -1.091 -9.373 -8.250 1.00 0.00 C ATOM 246 O LYS A 18 -1.635 -10.233 -8.943 1.00 0.00 O ATOM 247 CB LYS A 18 0.576 -10.839 -7.097 1.00 0.00 C ATOM 248 CG LYS A 18 0.843 -12.014 -8.022 1.00 0.00 C ATOM 249 CD LYS A 18 0.931 -13.321 -7.252 1.00 0.00 C ATOM 250 CE LYS A 18 0.951 -14.520 -8.188 1.00 0.00 C ATOM 251 NZ LYS A 18 0.564 -15.776 -7.489 1.00 0.00 N ATOM 0 H LYS A 18 0.700 -8.575 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 18 0.986 -9.505 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.412 -10.734 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.308 -11.053 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.048 -12.081 -8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.773 -11.847 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.832 -13.323 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.082 -13.402 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.269 -14.343 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.949 -14.633 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.590 -16.569 -8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.229 -15.959 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.398 -15.678 -7.106 1.00 0.00 H new ATOM 265 N SER A 19 -1.721 -8.283 -7.823 1.00 0.00 N ATOM 266 CA SER A 19 -3.120 -8.031 -8.150 1.00 0.00 C ATOM 267 C SER A 19 -3.237 -7.103 -9.355 1.00 0.00 C ATOM 268 O SER A 19 -4.323 -6.916 -9.905 1.00 0.00 O ATOM 269 CB SER A 19 -3.844 -7.420 -6.949 1.00 0.00 C ATOM 270 OG SER A 19 -5.219 -7.224 -7.228 1.00 0.00 O ATOM 0 H SER A 19 -1.285 -7.560 -7.250 1.00 0.00 H new ATOM 0 HA SER A 19 -3.587 -8.984 -8.400 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.735 -8.074 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.383 -6.467 -6.689 1.00 0.00 H new ATOM 0 HG SER A 19 -5.359 -7.222 -8.198 1.00 0.00 H new ATOM 276 N SER A 20 -2.112 -6.524 -9.760 1.00 0.00 N ATOM 277 CA SER A 20 -2.088 -5.612 -10.897 1.00 0.00 C ATOM 278 C SER A 20 -1.396 -6.255 -12.095 1.00 0.00 C ATOM 279 O SER A 20 -2.047 -6.830 -12.968 1.00 0.00 O ATOM 280 CB SER A 20 -1.375 -4.311 -10.520 1.00 0.00 C ATOM 281 OG SER A 20 -2.305 -3.311 -10.143 1.00 0.00 O ATOM 0 H SER A 20 -1.205 -6.670 -9.318 1.00 0.00 H new ATOM 0 HA SER A 20 -3.118 -5.387 -11.172 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.683 -4.497 -9.699 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.781 -3.960 -11.364 1.00 0.00 H new ATOM 0 HG SER A 20 -1.825 -2.491 -9.905 1.00 0.00 H new ATOM 287 N LYS A 21 -0.072 -6.154 -12.130 1.00 0.00 N ATOM 288 CA LYS A 21 0.711 -6.726 -13.219 1.00 0.00 C ATOM 289 C LYS A 21 2.150 -6.981 -12.780 1.00 0.00 C ATOM 290 O LYS A 21 3.033 -7.201 -13.609 1.00 0.00 O ATOM 291 CB LYS A 21 0.695 -5.793 -14.432 1.00 0.00 C ATOM 292 CG LYS A 21 0.780 -4.321 -14.067 1.00 0.00 C ATOM 293 CD LYS A 21 -0.595 -3.676 -14.027 1.00 0.00 C ATOM 294 CE LYS A 21 -0.948 -3.031 -15.358 1.00 0.00 C ATOM 295 NZ LYS A 21 -1.490 -4.022 -16.329 1.00 0.00 N ATOM 0 H LYS A 21 0.482 -5.681 -11.416 1.00 0.00 H new ATOM 0 HA LYS A 21 0.259 -7.679 -13.495 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.530 -6.046 -15.085 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.219 -5.966 -15.001 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.262 -4.213 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.406 -3.801 -14.792 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.343 -4.428 -13.776 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.622 -2.924 -13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.683 -2.242 -15.196 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.061 -2.558 -15.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.890 -3.522 -17.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.725 -4.651 -16.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.234 -4.586 -15.871 1.00 0.00 H new ATOM 309 N LEU A 22 2.378 -6.951 -11.471 1.00 0.00 N ATOM 310 CA LEU A 22 3.709 -7.181 -10.921 1.00 0.00 C ATOM 311 C LEU A 22 3.827 -8.590 -10.350 1.00 0.00 C ATOM 312 O LEU A 22 3.248 -8.900 -9.309 1.00 0.00 O ATOM 313 CB LEU A 22 4.018 -6.150 -9.834 1.00 0.00 C ATOM 314 CG LEU A 22 3.458 -4.745 -10.062 1.00 0.00 C ATOM 315 CD1 LEU A 22 4.029 -3.772 -9.043 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.759 -4.275 -11.478 1.00 0.00 C ATOM 0 H LEU A 22 1.658 -6.770 -10.771 1.00 0.00 H new ATOM 0 HA LEU A 22 4.432 -7.076 -11.730 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.631 -6.524 -8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.100 -6.075 -9.729 1.00 0.00 H new ATOM 0 HG LEU A 22 2.376 -4.780 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.620 -2.777 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.763 -4.100 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.114 -3.740 -9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.353 -3.274 -11.623 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.838 -4.256 -11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.302 -4.959 -12.193 1.00 0.00 H new ATOM 328 N VAL A 23 4.582 -9.441 -11.038 1.00 0.00 N ATOM 329 CA VAL A 23 4.779 -10.817 -10.598 1.00 0.00 C ATOM 330 C VAL A 23 6.260 -11.176 -10.565 1.00 0.00 C ATOM 331 O VAL A 23 6.988 -10.947 -11.531 1.00 0.00 O ATOM 332 CB VAL A 23 4.041 -11.810 -11.515 1.00 0.00 C ATOM 333 CG1 VAL A 23 2.543 -11.550 -11.489 1.00 0.00 C ATOM 334 CG2 VAL A 23 4.580 -11.725 -12.935 1.00 0.00 C ATOM 0 H VAL A 23 5.067 -9.201 -11.903 1.00 0.00 H new ATOM 0 HA VAL A 23 4.368 -10.890 -9.591 1.00 0.00 H new ATOM 0 HB VAL A 23 4.217 -12.820 -11.143 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.039 -12.262 -12.143 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.171 -11.666 -10.471 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.344 -10.536 -11.834 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.047 -12.433 -13.569 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.436 -10.715 -13.319 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.643 -11.966 -12.936 1.00 0.00 H new ATOM 344 N CYS A 24 6.701 -11.742 -9.446 1.00 0.00 N ATOM 345 CA CYS A 24 8.096 -12.134 -9.285 1.00 0.00 C ATOM 346 C CYS A 24 8.540 -13.043 -10.427 1.00 0.00 C ATOM 347 O CYS A 24 8.181 -14.220 -10.474 1.00 0.00 O ATOM 348 CB CYS A 24 8.296 -12.845 -7.945 1.00 0.00 C ATOM 349 SG CYS A 24 10.041 -13.122 -7.504 1.00 0.00 S ATOM 0 H CYS A 24 6.112 -11.939 -8.637 1.00 0.00 H new ATOM 0 HA CYS A 24 8.706 -11.231 -9.304 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.823 -12.256 -7.159 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.783 -13.806 -7.976 1.00 0.00 H new ATOM 354 N SER A 25 9.324 -12.489 -11.347 1.00 0.00 N ATOM 355 CA SER A 25 9.815 -13.248 -12.491 1.00 0.00 C ATOM 356 C SER A 25 10.441 -14.564 -12.041 1.00 0.00 C ATOM 357 O SER A 25 11.207 -14.603 -11.078 1.00 0.00 O ATOM 358 CB SER A 25 10.839 -12.424 -13.274 1.00 0.00 C ATOM 359 OG SER A 25 10.810 -12.752 -14.652 1.00 0.00 O ATOM 0 H SER A 25 9.633 -11.517 -11.322 1.00 0.00 H new ATOM 0 HA SER A 25 8.967 -13.472 -13.139 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.631 -11.362 -13.145 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.837 -12.604 -12.875 1.00 0.00 H new ATOM 0 HG SER A 25 11.472 -12.211 -15.131 1.00 0.00 H new ATOM 365 N ARG A 26 10.109 -15.641 -12.745 1.00 0.00 N ATOM 366 CA ARG A 26 10.637 -16.960 -12.419 1.00 0.00 C ATOM 367 C ARG A 26 12.080 -17.101 -12.894 1.00 0.00 C ATOM 368 O ARG A 26 12.944 -17.581 -12.159 1.00 0.00 O ATOM 369 CB ARG A 26 9.771 -18.051 -13.053 1.00 0.00 C ATOM 370 CG ARG A 26 8.427 -18.235 -12.369 1.00 0.00 C ATOM 371 CD ARG A 26 7.361 -18.697 -13.351 1.00 0.00 C ATOM 372 NE ARG A 26 6.127 -19.087 -12.675 1.00 0.00 N ATOM 373 CZ ARG A 26 5.022 -19.453 -13.316 1.00 0.00 C ATOM 374 NH1 ARG A 26 4.999 -19.479 -14.642 1.00 0.00 N ATOM 375 NH2 ARG A 26 3.938 -19.794 -12.631 1.00 0.00 N ATOM 0 H ARG A 26 9.477 -15.626 -13.545 1.00 0.00 H new ATOM 0 HA ARG A 26 10.617 -17.074 -11.335 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.605 -17.807 -14.102 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.315 -18.995 -13.027 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.523 -18.965 -11.565 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.119 -17.295 -11.911 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.149 -17.896 -14.059 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.741 -19.540 -13.928 1.00 0.00 H new ATOM 0 HE ARG A 26 6.112 -19.078 -11.655 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.831 -19.218 -15.172 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.150 -19.760 -15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.952 -19.775 -11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.090 -20.075 -13.124 1.00 0.00 H new ATOM 389 N LYS A 27 12.335 -16.680 -14.128 1.00 0.00 N ATOM 390 CA LYS A 27 13.673 -16.758 -14.703 1.00 0.00 C ATOM 391 C LYS A 27 14.645 -15.864 -13.940 1.00 0.00 C ATOM 392 O LYS A 27 15.677 -16.325 -13.451 1.00 0.00 O ATOM 393 CB LYS A 27 13.641 -16.353 -16.178 1.00 0.00 C ATOM 394 CG LYS A 27 13.133 -17.449 -17.099 1.00 0.00 C ATOM 395 CD LYS A 27 13.609 -17.243 -18.527 1.00 0.00 C ATOM 396 CE LYS A 27 15.051 -17.692 -18.704 1.00 0.00 C ATOM 397 NZ LYS A 27 15.441 -17.749 -20.140 1.00 0.00 N ATOM 0 H LYS A 27 11.632 -16.281 -14.750 1.00 0.00 H new ATOM 0 HA LYS A 27 14.016 -17.789 -14.624 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.008 -15.473 -16.291 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.645 -16.065 -16.489 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.476 -18.418 -16.736 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.043 -17.468 -17.077 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.967 -17.800 -19.210 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.519 -16.190 -18.793 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.713 -17.006 -18.175 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.183 -18.675 -18.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.431 -18.059 -20.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.826 -18.422 -20.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.339 -16.805 -20.565 1.00 0.00 H new ATOM 411 N THR A 28 14.310 -14.581 -13.842 1.00 0.00 N ATOM 412 CA THR A 28 15.153 -13.622 -13.139 1.00 0.00 C ATOM 413 C THR A 28 14.751 -13.508 -11.673 1.00 0.00 C ATOM 414 O THR A 28 13.756 -14.093 -11.245 1.00 0.00 O ATOM 415 CB THR A 28 15.081 -12.228 -13.789 1.00 0.00 C ATOM 416 OG1 THR A 28 13.754 -11.704 -13.679 1.00 0.00 O ATOM 417 CG2 THR A 28 15.487 -12.293 -15.254 1.00 0.00 C ATOM 0 H THR A 28 13.460 -14.182 -14.241 1.00 0.00 H new ATOM 0 HA THR A 28 16.176 -13.993 -13.205 1.00 0.00 H new ATOM 0 HB THR A 28 15.775 -11.570 -13.265 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.724 -10.806 -14.069 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.428 -11.297 -15.692 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.509 -12.664 -15.332 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.815 -12.965 -15.788 1.00 0.00 H new ATOM 425 N ARG A 29 15.529 -12.750 -10.908 1.00 0.00 N ATOM 426 CA ARG A 29 15.254 -12.559 -9.489 1.00 0.00 C ATOM 427 C ARG A 29 14.498 -11.254 -9.252 1.00 0.00 C ATOM 428 O ARG A 29 14.082 -10.961 -8.132 1.00 0.00 O ATOM 429 CB ARG A 29 16.558 -12.558 -8.690 1.00 0.00 C ATOM 430 CG ARG A 29 17.036 -13.947 -8.301 1.00 0.00 C ATOM 431 CD ARG A 29 16.435 -14.392 -6.977 1.00 0.00 C ATOM 432 NE ARG A 29 15.000 -14.639 -7.082 1.00 0.00 N ATOM 433 CZ ARG A 29 14.476 -15.665 -7.744 1.00 0.00 C ATOM 434 NH1 ARG A 29 15.267 -16.536 -8.355 1.00 0.00 N ATOM 435 NH2 ARG A 29 13.160 -15.821 -7.794 1.00 0.00 N ATOM 0 H ARG A 29 16.355 -12.258 -11.247 1.00 0.00 H new ATOM 0 HA ARG A 29 14.630 -13.387 -9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.334 -12.068 -9.278 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.420 -11.964 -7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.766 -14.658 -9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 29 18.124 -13.952 -8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.935 -15.300 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 29 16.617 -13.628 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 29 14.364 -13.988 -6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.280 -16.419 -8.317 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.863 -17.323 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.549 -15.153 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.759 -16.609 -8.302 1.00 0.00 H new ATOM 449 N TRP A 30 14.327 -10.476 -10.314 1.00 0.00 N ATOM 450 CA TRP A 30 13.622 -9.202 -10.222 1.00 0.00 C ATOM 451 C TRP A 30 12.191 -9.333 -10.732 1.00 0.00 C ATOM 452 O TRP A 30 11.923 -10.081 -11.672 1.00 0.00 O ATOM 453 CB TRP A 30 14.364 -8.127 -11.018 1.00 0.00 C ATOM 454 CG TRP A 30 14.697 -8.547 -12.417 1.00 0.00 C ATOM 455 CD1 TRP A 30 13.817 -8.791 -13.432 1.00 0.00 C ATOM 456 CD2 TRP A 30 16.005 -8.776 -12.954 1.00 0.00 C ATOM 457 NE1 TRP A 30 14.498 -9.157 -14.568 1.00 0.00 N ATOM 458 CE2 TRP A 30 15.841 -9.155 -14.301 1.00 0.00 C ATOM 459 CE3 TRP A 30 17.297 -8.696 -12.430 1.00 0.00 C ATOM 460 CZ2 TRP A 30 16.922 -9.453 -15.127 1.00 0.00 C ATOM 461 CZ3 TRP A 30 18.369 -8.992 -13.250 1.00 0.00 C ATOM 462 CH2 TRP A 30 18.176 -9.366 -14.587 1.00 0.00 C ATOM 0 H TRP A 30 14.666 -10.704 -11.248 1.00 0.00 H new ATOM 0 HA TRP A 30 13.588 -8.909 -9.173 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.753 -7.225 -11.053 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.285 -7.869 -10.495 1.00 0.00 H new ATOM 0 HD1 TRP A 30 12.743 -8.708 -13.354 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.072 -9.392 -15.465 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.456 -8.408 -11.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.776 -9.742 -16.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.372 -8.934 -12.854 1.00 0.00 H new ATOM 0 HH2 TRP A 30 19.034 -9.590 -15.203 1.00 0.00 H new ATOM 473 N CYS A 31 11.275 -8.601 -10.106 1.00 0.00 N ATOM 474 CA CYS A 31 9.871 -8.636 -10.495 1.00 0.00 C ATOM 475 C CYS A 31 9.697 -8.186 -11.943 1.00 0.00 C ATOM 476 O CYS A 31 10.397 -7.290 -12.414 1.00 0.00 O ATOM 477 CB CYS A 31 9.041 -7.745 -9.569 1.00 0.00 C ATOM 478 SG CYS A 31 7.417 -8.441 -9.127 1.00 0.00 S ATOM 0 H CYS A 31 11.481 -7.976 -9.327 1.00 0.00 H new ATOM 0 HA CYS A 31 9.521 -9.665 -10.408 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.607 -7.562 -8.655 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.891 -6.779 -10.050 1.00 0.00 H new ATOM 483 N ALA A 32 8.759 -8.814 -12.644 1.00 0.00 N ATOM 484 CA ALA A 32 8.491 -8.477 -14.036 1.00 0.00 C ATOM 485 C ALA A 32 6.999 -8.273 -14.275 1.00 0.00 C ATOM 486 O ALA A 32 6.173 -8.604 -13.423 1.00 0.00 O ATOM 487 CB ALA A 32 9.031 -9.563 -14.955 1.00 0.00 C ATOM 0 H ALA A 32 8.172 -9.559 -12.270 1.00 0.00 H new ATOM 0 HA ALA A 32 8.999 -7.539 -14.261 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.824 -9.298 -15.992 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.108 -9.658 -14.813 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.549 -10.512 -14.719 1.00 0.00 H new ATOM 493 N TYR A 33 6.660 -7.726 -15.437 1.00 0.00 N ATOM 494 CA TYR A 33 5.266 -7.475 -15.785 1.00 0.00 C ATOM 495 C TYR A 33 4.487 -8.782 -15.893 1.00 0.00 C ATOM 496 O TYR A 33 4.996 -9.849 -15.552 1.00 0.00 O ATOM 497 CB TYR A 33 5.180 -6.706 -17.105 1.00 0.00 C ATOM 498 CG TYR A 33 5.725 -7.472 -18.289 1.00 0.00 C ATOM 499 CD1 TYR A 33 7.076 -7.428 -18.608 1.00 0.00 C ATOM 500 CD2 TYR A 33 4.888 -8.241 -19.088 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.578 -8.125 -19.689 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.382 -8.943 -20.171 1.00 0.00 C ATOM 503 CZ TYR A 33 6.727 -8.882 -20.467 1.00 0.00 C ATOM 504 OH TYR A 33 7.224 -9.579 -21.544 1.00 0.00 O ATOM 0 H TYR A 33 7.331 -7.448 -16.154 1.00 0.00 H new ATOM 0 HA TYR A 33 4.822 -6.874 -14.991 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.139 -6.448 -17.298 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.728 -5.769 -17.006 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.746 -6.838 -18.000 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.834 -8.291 -18.859 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.631 -8.078 -19.924 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.718 -9.536 -20.782 1.00 0.00 H new ATOM 0 HH TYR A 33 6.495 -10.062 -21.986 1.00 0.00 H new ATOM 514 N GLN A 34 3.251 -8.688 -16.370 1.00 0.00 N ATOM 515 CA GLN A 34 2.401 -9.863 -16.524 1.00 0.00 C ATOM 516 C GLN A 34 1.581 -9.778 -17.807 1.00 0.00 C ATOM 517 O GLN A 34 0.509 -9.173 -17.831 1.00 0.00 O ATOM 518 CB GLN A 34 1.470 -10.006 -15.318 1.00 0.00 C ATOM 519 CG GLN A 34 0.532 -11.199 -15.412 1.00 0.00 C ATOM 520 CD GLN A 34 1.244 -12.520 -15.193 1.00 0.00 C ATOM 521 OE1 GLN A 34 2.453 -12.628 -15.400 1.00 0.00 O ATOM 522 NE2 GLN A 34 0.496 -13.533 -14.772 1.00 0.00 N ATOM 0 H GLN A 34 2.815 -7.811 -16.657 1.00 0.00 H new ATOM 0 HA GLN A 34 3.045 -10.741 -16.584 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.072 -10.098 -14.414 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.878 -9.096 -15.216 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.262 -11.091 -14.673 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.056 -11.205 -16.392 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.503 -13.398 -14.613 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.920 -14.446 -14.607 1.00 0.00 H new ATOM 531 N ILE A 35 2.092 -10.388 -18.871 1.00 0.00 N ATOM 532 CA ILE A 35 1.406 -10.381 -20.157 1.00 0.00 C ATOM 533 C ILE A 35 0.013 -10.989 -20.040 1.00 0.00 C ATOM 534 O ILE A 35 -0.259 -11.775 -19.133 1.00 0.00 O ATOM 535 CB ILE A 35 2.204 -11.154 -21.224 1.00 0.00 C ATOM 536 CG1 ILE A 35 1.590 -10.936 -22.609 1.00 0.00 C ATOM 537 CG2 ILE A 35 2.244 -12.637 -20.884 1.00 0.00 C ATOM 538 CD1 ILE A 35 2.546 -11.221 -23.745 1.00 0.00 C ATOM 0 H ILE A 35 2.978 -10.893 -18.868 1.00 0.00 H new ATOM 0 HA ILE A 35 1.320 -9.339 -20.464 1.00 0.00 H new ATOM 0 HB ILE A 35 3.226 -10.776 -21.237 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.713 -11.575 -22.714 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.244 -9.905 -22.686 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.811 -13.170 -21.647 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.722 -12.775 -19.914 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.228 -13.029 -20.847 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.043 -11.046 -24.696 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.412 -10.564 -23.665 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.873 -12.260 -23.694 1.00 0.00 H new TER 550 ILE A 35