USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 263 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 24 LYS NZ :NH3+ -160:sc= 1.15 (180deg=0) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.0219! K(o=1.2!,f=-4.3) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 10 SER OG : rot 180:sc= 0.00632 USER MOD Single : A 7 SER OG : rot 73:sc= 1.22 USER MOD Single : A 9 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.24) USER MOD Single : A 16 THR OG1 : rot 9:sc= 0.457 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.264 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 54:sc= 0.151 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 120:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 27.706 28.503 26.741 1.00 0.00 N ATOM 45 CA GLU A 4 27.185 28.843 25.424 1.00 0.00 C ATOM 46 C GLU A 4 26.736 27.643 24.555 1.00 0.00 C ATOM 47 O GLU A 4 27.353 26.565 24.585 1.00 0.00 O ATOM 48 CB GLU A 4 28.263 29.634 24.653 1.00 0.00 C ATOM 49 CG GLU A 4 28.603 31.027 25.225 1.00 0.00 C ATOM 50 CD GLU A 4 29.476 31.054 26.499 1.00 0.00 C ATOM 51 OE1 GLU A 4 29.991 29.985 26.912 1.00 0.00 O ATOM 52 OE2 GLU A 4 29.606 32.159 27.073 1.00 0.00 O ATOM 0 HA GLU A 4 26.283 29.427 25.608 1.00 0.00 H new ATOM 0 HB2 GLU A 4 29.176 29.039 24.627 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.932 29.755 23.622 1.00 0.00 H new ATOM 0 HG2 GLU A 4 29.113 31.599 24.450 1.00 0.00 H new ATOM 0 HG3 GLU A 4 27.668 31.545 25.441 1.00 0.00 H new ATOM 59 N PRO A 5 25.660 27.813 23.756 1.00 0.00 N ATOM 60 CA PRO A 5 25.213 26.810 22.796 1.00 0.00 C ATOM 61 C PRO A 5 26.059 26.869 21.516 1.00 0.00 C ATOM 62 O PRO A 5 26.610 27.916 21.168 1.00 0.00 O ATOM 63 CB PRO A 5 23.747 27.153 22.515 1.00 0.00 C ATOM 64 CG PRO A 5 23.729 28.677 22.629 1.00 0.00 C ATOM 65 CD PRO A 5 24.738 28.948 23.751 1.00 0.00 C ATOM 0 HA PRO A 5 25.320 25.795 23.179 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.435 26.818 21.526 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.077 26.685 23.236 1.00 0.00 H new ATOM 0 HG2 PRO A 5 24.025 29.156 21.695 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.736 29.052 22.879 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.272 29.882 23.577 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.234 29.044 24.713 1.00 0.00 H new ATOM 73 N CYS A 6 26.097 25.756 20.779 1.00 0.00 N ATOM 74 CA CYS A 6 26.850 25.629 19.513 1.00 0.00 C ATOM 75 C CYS A 6 26.193 24.729 18.446 1.00 0.00 C ATOM 76 O CYS A 6 25.422 23.819 18.753 1.00 0.00 O ATOM 77 CB CYS A 6 28.239 25.083 19.828 1.00 0.00 C ATOM 78 SG CYS A 6 28.283 23.474 20.660 1.00 0.00 S ATOM 0 H CYS A 6 25.602 24.903 21.041 1.00 0.00 H new ATOM 0 HA CYS A 6 26.879 26.629 19.079 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.798 25.004 18.896 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.761 25.808 20.452 1.00 0.00 H new ATOM 83 N SER A 7 26.565 24.951 17.177 1.00 0.00 N ATOM 84 CA SER A 7 26.156 24.141 16.013 1.00 0.00 C ATOM 85 C SER A 7 26.900 22.794 15.950 1.00 0.00 C ATOM 86 O SER A 7 26.294 21.725 15.864 1.00 0.00 O ATOM 87 CB SER A 7 26.450 24.885 14.696 1.00 0.00 C ATOM 88 OG SER A 7 25.862 26.170 14.651 1.00 0.00 O ATOM 0 H SER A 7 27.179 25.724 16.921 1.00 0.00 H new ATOM 0 HA SER A 7 25.087 23.965 16.133 1.00 0.00 H new ATOM 0 HB2 SER A 7 27.529 24.979 14.570 1.00 0.00 H new ATOM 0 HB3 SER A 7 26.082 24.292 13.859 1.00 0.00 H new ATOM 0 HG SER A 7 26.347 26.773 15.252 1.00 0.00 H new ATOM 94 N SER A 8 28.230 22.872 15.960 1.00 0.00 N ATOM 95 CA SER A 8 29.250 21.830 15.871 1.00 0.00 C ATOM 96 C SER A 8 30.517 22.328 16.575 1.00 0.00 C ATOM 97 O SER A 8 30.616 23.534 16.794 1.00 0.00 O ATOM 98 CB SER A 8 29.542 21.564 14.391 1.00 0.00 C ATOM 99 OG SER A 8 30.011 22.709 13.685 1.00 0.00 O ATOM 0 H SER A 8 28.673 23.787 16.041 1.00 0.00 H new ATOM 0 HA SER A 8 28.910 20.910 16.346 1.00 0.00 H new ATOM 0 HB2 SER A 8 30.285 20.771 14.313 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.634 21.199 13.911 1.00 0.00 H new ATOM 0 HG SER A 8 30.179 22.470 12.750 1.00 0.00 H new ATOM 105 N ASN A 9 31.500 21.467 16.885 1.00 0.00 N ATOM 106 CA ASN A 9 32.696 21.867 17.663 1.00 0.00 C ATOM 107 C ASN A 9 33.313 23.214 17.248 1.00 0.00 C ATOM 108 O ASN A 9 33.636 24.059 18.080 1.00 0.00 O ATOM 109 CB ASN A 9 33.788 20.772 17.602 1.00 0.00 C ATOM 110 CG ASN A 9 34.377 20.493 16.225 1.00 0.00 C ATOM 111 OD1 ASN A 9 35.445 20.964 15.860 1.00 0.00 O ATOM 112 ND2 ASN A 9 33.718 19.709 15.411 1.00 0.00 N ATOM 0 H ASN A 9 31.494 20.485 16.610 1.00 0.00 H new ATOM 0 HA ASN A 9 32.330 21.992 18.682 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.599 21.058 18.271 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.367 19.845 17.990 1.00 0.00 H new ATOM 0 HD21 ASN A 9 34.096 19.499 14.487 1.00 0.00 H new ATOM 0 HD22 ASN A 9 32.826 19.308 15.700 1.00 0.00 H new ATOM 119 N SER A 10 33.452 23.408 15.941 1.00 0.00 N ATOM 120 CA SER A 10 34.096 24.549 15.305 1.00 0.00 C ATOM 121 C SER A 10 33.385 25.903 15.475 1.00 0.00 C ATOM 122 O SER A 10 33.970 26.944 15.181 1.00 0.00 O ATOM 123 CB SER A 10 34.386 24.172 13.878 1.00 0.00 C ATOM 124 OG SER A 10 33.200 23.789 13.195 1.00 0.00 O ATOM 0 H SER A 10 33.098 22.736 15.260 1.00 0.00 H new ATOM 0 HA SER A 10 35.029 24.751 15.831 1.00 0.00 H new ATOM 0 HB2 SER A 10 34.849 25.014 13.364 1.00 0.00 H new ATOM 0 HB3 SER A 10 35.103 23.351 13.855 1.00 0.00 H new ATOM 0 HG SER A 10 33.418 23.551 12.270 1.00 0.00 H new ATOM 130 N ASP A 11 32.172 25.903 16.031 1.00 0.00 N ATOM 131 CA ASP A 11 31.372 27.082 16.387 1.00 0.00 C ATOM 132 C ASP A 11 31.774 27.694 17.755 1.00 0.00 C ATOM 133 O ASP A 11 31.136 28.651 18.181 1.00 0.00 O ATOM 134 CB ASP A 11 29.881 26.653 16.430 1.00 0.00 C ATOM 135 CG ASP A 11 28.846 27.688 15.962 1.00 0.00 C ATOM 136 OD1 ASP A 11 29.204 28.644 15.238 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.637 27.435 16.215 1.00 0.00 O ATOM 0 H ASP A 11 31.692 25.032 16.259 1.00 0.00 H new ATOM 0 HA ASP A 11 31.548 27.853 15.637 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.768 25.759 15.817 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.639 26.370 17.454 1.00 0.00 H new ATOM 142 N CYS A 12 32.795 27.181 18.473 1.00 0.00 N ATOM 143 CA CYS A 12 33.109 27.654 19.839 1.00 0.00 C ATOM 144 C CYS A 12 34.608 27.636 20.200 1.00 0.00 C ATOM 145 O CYS A 12 35.006 27.879 21.338 1.00 0.00 O ATOM 146 CB CYS A 12 32.281 26.801 20.818 1.00 0.00 C ATOM 147 SG CYS A 12 33.071 25.284 21.390 1.00 0.00 S ATOM 0 H CYS A 12 33.413 26.444 18.133 1.00 0.00 H new ATOM 0 HA CYS A 12 32.844 28.709 19.903 1.00 0.00 H new ATOM 0 HB2 CYS A 12 32.036 27.412 21.687 1.00 0.00 H new ATOM 0 HB3 CYS A 12 31.339 26.540 20.337 1.00 0.00 H new ATOM 152 N ILE A 13 35.456 27.328 19.222 1.00 0.00 N ATOM 153 CA ILE A 13 36.889 27.175 19.312 1.00 0.00 C ATOM 154 C ILE A 13 37.558 28.512 19.661 1.00 0.00 C ATOM 155 O ILE A 13 37.062 29.593 19.352 1.00 0.00 O ATOM 156 CB ILE A 13 37.355 26.719 17.917 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.578 25.608 17.241 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.799 26.311 17.923 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.698 24.227 17.842 1.00 0.00 C ATOM 0 H ILE A 13 35.122 27.168 18.272 1.00 0.00 H new ATOM 0 HA ILE A 13 37.156 26.460 20.090 1.00 0.00 H new ATOM 0 HB ILE A 13 37.169 27.618 17.329 1.00 0.00 H new ATOM 0 HG12 ILE A 13 35.524 25.885 17.236 1.00 0.00 H new ATOM 0 HG13 ILE A 13 36.898 25.554 16.201 1.00 0.00 H new ATOM 0 HG21 ILE A 13 39.092 25.995 16.922 1.00 0.00 H new ATOM 0 HG22 ILE A 13 39.415 27.156 18.232 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.941 25.485 18.620 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.095 23.526 17.266 1.00 0.00 H new ATOM 0 HD12 ILE A 13 37.741 23.911 17.822 1.00 0.00 H new ATOM 0 HD13 ILE A 13 36.345 24.247 18.873 1.00 0.00 H new ATOM 171 N GLY A 14 38.748 28.423 20.241 1.00 0.00 N ATOM 172 CA GLY A 14 39.650 29.536 20.573 1.00 0.00 C ATOM 173 C GLY A 14 39.192 30.548 21.641 1.00 0.00 C ATOM 174 O GLY A 14 40.034 31.007 22.416 1.00 0.00 O ATOM 0 H GLY A 14 39.140 27.521 20.511 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.598 29.110 20.902 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.850 30.088 19.655 1.00 0.00 H new ATOM 178 N ILE A 15 37.897 30.894 21.714 1.00 0.00 N ATOM 179 CA ILE A 15 37.330 31.878 22.670 1.00 0.00 C ATOM 180 C ILE A 15 37.554 31.469 24.126 1.00 0.00 C ATOM 181 O ILE A 15 37.641 32.288 25.034 1.00 0.00 O ATOM 182 CB ILE A 15 35.862 32.229 22.335 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.800 31.111 22.357 1.00 0.00 C ATOM 184 CG2 ILE A 15 35.846 32.781 20.906 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.586 30.441 23.710 1.00 0.00 C ATOM 0 H ILE A 15 37.192 30.491 21.097 1.00 0.00 H new ATOM 0 HA ILE A 15 37.886 32.807 22.549 1.00 0.00 H new ATOM 0 HB ILE A 15 35.575 32.907 23.139 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.850 31.528 22.023 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.085 30.348 21.633 1.00 0.00 H new ATOM 0 HG21 ILE A 15 34.825 33.042 20.628 1.00 0.00 H new ATOM 0 HG22 ILE A 15 36.475 33.669 20.852 1.00 0.00 H new ATOM 0 HG23 ILE A 15 36.226 32.025 20.219 1.00 0.00 H new ATOM 0 HD11 ILE A 15 33.820 29.671 23.618 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.519 29.987 24.043 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.265 31.186 24.438 1.00 0.00 H new ATOM 197 N THR A 16 37.656 30.166 24.330 1.00 0.00 N ATOM 198 CA THR A 16 37.991 29.390 25.500 1.00 0.00 C ATOM 199 C THR A 16 38.397 28.005 24.945 1.00 0.00 C ATOM 200 O THR A 16 37.982 27.623 23.852 1.00 0.00 O ATOM 201 CB THR A 16 36.808 29.303 26.459 1.00 0.00 C ATOM 202 OG1 THR A 16 36.432 30.581 26.909 1.00 0.00 O ATOM 203 CG2 THR A 16 37.298 28.576 27.690 1.00 0.00 C ATOM 0 H THR A 16 37.475 29.536 23.548 1.00 0.00 H new ATOM 0 HA THR A 16 38.795 29.838 26.084 1.00 0.00 H new ATOM 0 HB THR A 16 35.974 28.817 25.952 1.00 0.00 H new ATOM 0 HG1 THR A 16 36.923 31.263 26.405 1.00 0.00 H new ATOM 0 HG21 THR A 16 36.484 28.488 28.409 1.00 0.00 H new ATOM 0 HG22 THR A 16 37.644 27.581 27.411 1.00 0.00 H new ATOM 0 HG23 THR A 16 38.120 29.134 28.139 1.00 0.00 H new ATOM 211 N LEU A 17 39.172 27.205 25.675 1.00 0.00 N ATOM 212 CA LEU A 17 39.598 25.850 25.285 1.00 0.00 C ATOM 213 C LEU A 17 38.481 24.769 25.222 1.00 0.00 C ATOM 214 O LEU A 17 38.757 23.614 24.912 1.00 0.00 O ATOM 215 CB LEU A 17 40.842 25.507 26.106 1.00 0.00 C ATOM 216 CG LEU A 17 40.650 25.490 27.618 1.00 0.00 C ATOM 217 CD1 LEU A 17 39.852 24.257 27.965 1.00 0.00 C ATOM 218 CD2 LEU A 17 42.047 25.466 28.197 1.00 0.00 C ATOM 0 H LEU A 17 39.536 27.486 26.586 1.00 0.00 H new ATOM 0 HA LEU A 17 39.867 25.849 24.229 1.00 0.00 H new ATOM 0 HB2 LEU A 17 41.203 24.527 25.793 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.624 26.227 25.865 1.00 0.00 H new ATOM 0 HG LEU A 17 40.106 26.348 28.014 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.697 24.215 29.043 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.886 24.295 27.461 1.00 0.00 H new ATOM 0 HD13 LEU A 17 40.395 23.369 27.642 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.990 25.453 29.285 1.00 0.00 H new ATOM 0 HD22 LEU A 17 42.569 24.574 27.850 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.590 26.354 27.873 1.00 0.00 H new ATOM 230 N CYS A 18 37.223 25.141 25.477 1.00 0.00 N ATOM 231 CA CYS A 18 36.018 24.303 25.592 1.00 0.00 C ATOM 232 C CYS A 18 35.465 23.786 24.248 1.00 0.00 C ATOM 233 O CYS A 18 34.260 23.794 24.029 1.00 0.00 O ATOM 234 CB CYS A 18 34.952 25.134 26.325 1.00 0.00 C ATOM 235 SG CYS A 18 35.369 25.599 28.023 1.00 0.00 S ATOM 0 H CYS A 18 36.998 26.125 25.622 1.00 0.00 H new ATOM 0 HA CYS A 18 36.289 23.402 26.142 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.765 26.042 25.752 1.00 0.00 H new ATOM 0 HB3 CYS A 18 34.020 24.569 26.339 1.00 0.00 H new ATOM 0 HG CYS A 18 34.398 26.296 28.533 1.00 0.00 H new ATOM 240 N GLN A 19 36.320 23.336 23.333 1.00 0.00 N ATOM 241 CA GLN A 19 35.963 22.918 21.966 1.00 0.00 C ATOM 242 C GLN A 19 35.051 21.676 21.813 1.00 0.00 C ATOM 243 O GLN A 19 34.962 21.117 20.719 1.00 0.00 O ATOM 244 CB GLN A 19 37.247 22.794 21.142 1.00 0.00 C ATOM 245 CG GLN A 19 38.267 21.757 21.571 1.00 0.00 C ATOM 246 CD GLN A 19 39.381 21.659 20.529 1.00 0.00 C ATOM 247 OE1 GLN A 19 39.266 20.980 19.519 1.00 0.00 O ATOM 248 NE2 GLN A 19 40.471 22.376 20.695 1.00 0.00 N ATOM 0 H GLN A 19 37.318 23.246 23.523 1.00 0.00 H new ATOM 0 HA GLN A 19 35.315 23.707 21.583 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.964 22.579 20.112 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.739 23.767 21.141 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.687 22.027 22.540 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.784 20.787 21.691 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.583 22.948 21.532 1.00 0.00 H new ATOM 0 HE22 GLN A 19 41.205 22.360 19.987 1.00 0.00 H new ATOM 257 N PHE A 20 34.346 21.234 22.858 1.00 0.00 N ATOM 258 CA PHE A 20 33.568 19.994 22.845 1.00 0.00 C ATOM 259 C PHE A 20 32.048 20.169 22.955 1.00 0.00 C ATOM 260 O PHE A 20 31.448 20.064 24.024 1.00 0.00 O ATOM 261 CB PHE A 20 34.181 19.031 23.862 1.00 0.00 C ATOM 262 CG PHE A 20 35.577 18.607 23.446 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.721 17.555 22.526 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.725 19.293 23.898 1.00 0.00 C ATOM 265 CE1 PHE A 20 36.996 17.164 22.088 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.995 18.927 23.432 1.00 0.00 C ATOM 267 CZ PHE A 20 38.137 17.855 22.532 1.00 0.00 C ATOM 0 H PHE A 20 34.299 21.733 23.746 1.00 0.00 H new ATOM 0 HA PHE A 20 33.646 19.553 21.851 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.220 19.509 24.841 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.546 18.151 23.962 1.00 0.00 H new ATOM 0 HD1 PHE A 20 34.845 17.044 22.154 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.624 20.103 24.605 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.101 16.331 21.409 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.867 19.470 23.765 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.117 17.564 22.184 1.00 0.00 H new ATOM 277 N CYS A 21 31.423 20.413 21.800 1.00 0.00 N ATOM 278 CA CYS A 21 29.975 20.489 21.606 1.00 0.00 C ATOM 279 C CYS A 21 29.312 19.151 21.971 1.00 0.00 C ATOM 280 O CYS A 21 29.423 18.189 21.209 1.00 0.00 O ATOM 281 CB CYS A 21 29.700 20.848 20.142 1.00 0.00 C ATOM 282 SG CYS A 21 29.879 22.598 19.761 1.00 0.00 S ATOM 0 H CYS A 21 31.939 20.570 20.934 1.00 0.00 H new ATOM 0 HA CYS A 21 29.553 21.255 22.257 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.379 20.279 19.507 1.00 0.00 H new ATOM 0 HB3 CYS A 21 28.688 20.535 19.887 1.00 0.00 H new ATOM 287 N LYS A 22 28.638 19.073 23.126 1.00 0.00 N ATOM 288 CA LYS A 22 28.053 17.845 23.670 1.00 0.00 C ATOM 289 C LYS A 22 26.606 18.074 24.114 1.00 0.00 C ATOM 290 O LYS A 22 26.248 19.163 24.565 1.00 0.00 O ATOM 291 CB LYS A 22 29.036 17.328 24.756 1.00 0.00 C ATOM 292 CG LYS A 22 28.600 17.298 26.231 1.00 0.00 C ATOM 293 CD LYS A 22 28.299 15.869 26.700 1.00 0.00 C ATOM 294 CE LYS A 22 29.641 15.147 26.907 1.00 0.00 C ATOM 295 NZ LYS A 22 29.549 13.687 27.147 1.00 0.00 N ATOM 0 H LYS A 22 28.482 19.886 23.722 1.00 0.00 H new ATOM 0 HA LYS A 22 27.948 17.056 22.926 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.320 16.312 24.480 1.00 0.00 H new ATOM 0 HB3 LYS A 22 29.937 17.938 24.696 1.00 0.00 H new ATOM 0 HG2 LYS A 22 29.386 17.728 26.852 1.00 0.00 H new ATOM 0 HG3 LYS A 22 27.714 17.919 26.362 1.00 0.00 H new ATOM 0 HD2 LYS A 22 27.727 15.884 27.628 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.694 15.344 25.961 1.00 0.00 H new ATOM 0 HE2 LYS A 22 30.263 15.315 26.028 1.00 0.00 H new ATOM 0 HE3 LYS A 22 30.154 15.605 27.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 30.504 13.295 27.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 28.986 13.511 28.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 29.092 13.229 26.332 1.00 0.00 H new ATOM 309 N GLU A 23 25.755 17.056 23.977 1.00 0.00 N ATOM 310 CA GLU A 23 24.382 17.097 24.474 1.00 0.00 C ATOM 311 C GLU A 23 24.368 16.686 25.956 1.00 0.00 C ATOM 312 O GLU A 23 24.521 15.510 26.296 1.00 0.00 O ATOM 313 CB GLU A 23 23.459 16.236 23.599 1.00 0.00 C ATOM 314 CG GLU A 23 22.026 16.360 24.030 1.00 0.00 C ATOM 315 CD GLU A 23 21.039 15.908 22.944 1.00 0.00 C ATOM 316 OE1 GLU A 23 20.937 14.697 22.637 1.00 0.00 O ATOM 317 OE2 GLU A 23 20.362 16.782 22.359 1.00 0.00 O ATOM 0 H GLU A 23 26.000 16.179 23.517 1.00 0.00 H new ATOM 0 HA GLU A 23 23.991 18.112 24.410 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.555 16.540 22.557 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.769 15.193 23.657 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.868 15.764 24.929 1.00 0.00 H new ATOM 0 HG3 GLU A 23 21.819 17.397 24.295 1.00 0.00 H new ATOM 324 N LYS A 24 24.241 17.676 26.842 1.00 0.00 N ATOM 325 CA LYS A 24 24.236 17.528 28.303 1.00 0.00 C ATOM 326 C LYS A 24 23.037 18.229 28.924 1.00 0.00 C ATOM 327 O LYS A 24 22.243 18.859 28.236 1.00 0.00 O ATOM 328 CB LYS A 24 25.561 18.061 28.883 1.00 0.00 C ATOM 329 CG LYS A 24 25.749 19.592 28.769 1.00 0.00 C ATOM 330 CD LYS A 24 26.545 20.187 29.941 1.00 0.00 C ATOM 331 CE LYS A 24 27.998 19.697 29.960 1.00 0.00 C ATOM 332 NZ LYS A 24 28.765 20.284 31.086 1.00 0.00 N ATOM 0 H LYS A 24 24.134 18.647 26.550 1.00 0.00 H new ATOM 0 HA LYS A 24 24.149 16.470 28.549 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.621 17.779 29.934 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.389 17.568 28.373 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.262 19.821 27.835 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.771 20.070 28.721 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.531 21.275 29.873 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.061 19.920 30.880 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.014 18.610 30.038 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.481 19.956 29.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.783 20.215 30.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.502 21.283 31.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.549 19.765 31.961 1.00 0.00 H new ATOM 346 N THR A 25 22.925 18.145 30.240 1.00 0.00 N ATOM 347 CA THR A 25 21.898 18.852 30.994 1.00 0.00 C ATOM 348 C THR A 25 22.480 19.594 32.194 1.00 0.00 C ATOM 349 O THR A 25 23.665 19.493 32.510 1.00 0.00 O ATOM 350 CB THR A 25 20.691 17.955 31.267 1.00 0.00 C ATOM 351 OG1 THR A 25 19.716 18.588 32.028 1.00 0.00 O ATOM 352 CG2 THR A 25 20.979 16.734 32.055 1.00 0.00 C ATOM 0 H THR A 25 23.547 17.582 30.820 1.00 0.00 H new ATOM 0 HA THR A 25 21.491 19.656 30.380 1.00 0.00 H new ATOM 0 HB THR A 25 20.373 17.709 30.254 1.00 0.00 H new ATOM 0 HG1 THR A 25 19.469 19.436 31.603 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.059 16.166 32.195 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.707 16.121 31.523 1.00 0.00 H new ATOM 0 HG23 THR A 25 21.383 17.015 33.028 1.00 0.00 H new ATOM 360 N ASP A 26 21.631 20.422 32.791 1.00 0.00 N ATOM 361 CA ASP A 26 21.813 21.254 33.969 1.00 0.00 C ATOM 362 C ASP A 26 21.738 20.356 35.227 1.00 0.00 C ATOM 363 O ASP A 26 22.663 19.587 35.493 1.00 0.00 O ATOM 364 CB ASP A 26 20.826 22.438 33.820 1.00 0.00 C ATOM 365 CG ASP A 26 19.329 22.109 33.717 1.00 0.00 C ATOM 366 OD1 ASP A 26 18.937 20.929 33.870 1.00 0.00 O ATOM 367 OD2 ASP A 26 18.573 23.066 33.455 1.00 0.00 O ATOM 0 H ASP A 26 20.690 20.538 32.415 1.00 0.00 H new ATOM 0 HA ASP A 26 22.791 21.722 34.082 1.00 0.00 H new ATOM 0 HB2 ASP A 26 20.966 23.101 34.674 1.00 0.00 H new ATOM 0 HB3 ASP A 26 21.108 23.000 32.930 1.00 0.00 H new ATOM 372 N GLN A 27 20.682 20.448 36.025 1.00 0.00 N ATOM 373 CA GLN A 27 20.371 19.597 37.167 1.00 0.00 C ATOM 374 C GLN A 27 18.872 19.235 37.250 1.00 0.00 C ATOM 375 O GLN A 27 18.451 18.502 38.140 1.00 0.00 O ATOM 376 CB GLN A 27 20.867 20.295 38.426 1.00 0.00 C ATOM 377 CG GLN A 27 20.001 21.458 38.927 1.00 0.00 C ATOM 378 CD GLN A 27 20.350 21.747 40.387 1.00 0.00 C ATOM 379 OE1 GLN A 27 21.367 22.343 40.718 1.00 0.00 O ATOM 380 NE2 GLN A 27 19.573 21.256 41.326 1.00 0.00 N ATOM 0 H GLN A 27 19.973 21.167 35.882 1.00 0.00 H new ATOM 0 HA GLN A 27 20.882 18.641 37.052 1.00 0.00 H new ATOM 0 HB2 GLN A 27 20.945 19.555 39.223 1.00 0.00 H new ATOM 0 HB3 GLN A 27 21.873 20.670 38.239 1.00 0.00 H new ATOM 0 HG2 GLN A 27 20.172 22.345 38.317 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.944 21.207 38.835 1.00 0.00 H new ATOM 0 HE21 GLN A 27 18.721 20.756 41.073 1.00 0.00 H new ATOM 0 HE22 GLN A 27 19.822 21.375 42.308 1.00 0.00 H new ATOM 389 N TYR A 28 18.063 19.788 36.346 1.00 0.00 N ATOM 390 CA TYR A 28 16.618 19.601 36.202 1.00 0.00 C ATOM 391 C TYR A 28 16.283 18.471 35.218 1.00 0.00 C ATOM 392 O TYR A 28 15.170 17.936 35.223 1.00 0.00 O ATOM 393 CB TYR A 28 16.083 20.921 35.629 1.00 0.00 C ATOM 394 CG TYR A 28 16.182 22.156 36.497 1.00 0.00 C ATOM 395 CD1 TYR A 28 16.093 22.104 37.902 1.00 0.00 C ATOM 396 CD2 TYR A 28 16.363 23.384 35.843 1.00 0.00 C ATOM 397 CE1 TYR A 28 16.178 23.296 38.648 1.00 0.00 C ATOM 398 CE2 TYR A 28 16.422 24.580 36.583 1.00 0.00 C ATOM 399 CZ TYR A 28 16.328 24.536 37.993 1.00 0.00 C ATOM 400 OH TYR A 28 16.369 25.673 38.734 1.00 0.00 O ATOM 0 H TYR A 28 18.429 20.428 35.641 1.00 0.00 H new ATOM 0 HA TYR A 28 16.177 19.337 37.163 1.00 0.00 H new ATOM 0 HB2 TYR A 28 16.613 21.122 34.698 1.00 0.00 H new ATOM 0 HB3 TYR A 28 15.034 20.774 35.373 1.00 0.00 H new ATOM 0 HD1 TYR A 28 15.961 21.157 38.404 1.00 0.00 H new ATOM 0 HD2 TYR A 28 16.457 23.412 34.767 1.00 0.00 H new ATOM 0 HE1 TYR A 28 16.128 23.260 39.726 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.538 25.527 36.076 1.00 0.00 H new ATOM 0 HH TYR A 28 16.477 26.446 38.141 1.00 0.00 H new ATOM 410 N GLY A 29 17.252 18.125 34.365 1.00 0.00 N ATOM 411 CA GLY A 29 17.098 17.147 33.283 1.00 0.00 C ATOM 412 C GLY A 29 16.853 17.779 31.908 1.00 0.00 C ATOM 413 O GLY A 29 16.619 17.061 30.934 1.00 0.00 O ATOM 0 H GLY A 29 18.188 18.527 34.409 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.995 16.529 33.234 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.266 16.484 33.521 1.00 0.00 H new ATOM 417 N LEU A 30 16.929 19.112 31.801 1.00 0.00 N ATOM 418 CA LEU A 30 16.804 19.832 30.536 1.00 0.00 C ATOM 419 C LEU A 30 18.048 19.579 29.735 1.00 0.00 C ATOM 420 O LEU A 30 19.110 20.110 30.032 1.00 0.00 O ATOM 421 CB LEU A 30 16.749 21.337 30.714 1.00 0.00 C ATOM 422 CG LEU A 30 15.414 21.909 31.149 1.00 0.00 C ATOM 423 CD1 LEU A 30 15.203 21.401 32.527 1.00 0.00 C ATOM 424 CD2 LEU A 30 15.645 23.391 31.265 1.00 0.00 C ATOM 0 H LEU A 30 17.081 19.724 32.603 1.00 0.00 H new ATOM 0 HA LEU A 30 15.884 19.485 30.065 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.501 21.623 31.449 1.00 0.00 H new ATOM 0 HB3 LEU A 30 17.032 21.805 29.771 1.00 0.00 H new ATOM 0 HG LEU A 30 14.587 21.663 30.483 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.253 21.774 32.911 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.187 20.311 32.514 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.014 21.744 33.169 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.722 23.880 31.577 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.424 23.581 32.003 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.957 23.787 30.299 1.00 0.00 H new ATOM 436 N THR A 31 17.923 18.744 28.740 1.00 0.00 N ATOM 437 CA THR A 31 19.010 18.463 27.837 1.00 0.00 C ATOM 438 C THR A 31 19.081 19.578 26.794 1.00 0.00 C ATOM 439 O THR A 31 18.067 20.012 26.247 1.00 0.00 O ATOM 440 CB THR A 31 18.872 17.085 27.213 1.00 0.00 C ATOM 441 OG1 THR A 31 19.039 16.092 28.207 1.00 0.00 O ATOM 442 CG2 THR A 31 19.995 16.964 26.208 1.00 0.00 C ATOM 0 H THR A 31 17.063 18.237 28.530 1.00 0.00 H new ATOM 0 HA THR A 31 19.951 18.443 28.387 1.00 0.00 H new ATOM 0 HB THR A 31 17.893 16.956 26.752 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.948 15.205 27.801 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.947 15.988 25.725 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.896 17.747 25.456 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.953 17.070 26.718 1.00 0.00 H new ATOM 450 N TYR A 32 20.298 20.030 26.530 1.00 0.00 N ATOM 451 CA TYR A 32 20.652 21.095 25.614 1.00 0.00 C ATOM 452 C TYR A 32 22.022 20.799 24.967 1.00 0.00 C ATOM 453 O TYR A 32 22.756 19.917 25.419 1.00 0.00 O ATOM 454 CB TYR A 32 20.571 22.404 26.412 1.00 0.00 C ATOM 455 CG TYR A 32 21.237 22.374 27.776 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.625 22.310 27.820 1.00 0.00 C ATOM 457 CD2 TYR A 32 20.516 22.391 28.990 1.00 0.00 C ATOM 458 CE1 TYR A 32 23.301 22.508 29.037 1.00 0.00 C ATOM 459 CE2 TYR A 32 21.156 22.423 30.225 1.00 0.00 C ATOM 460 CZ TYR A 32 22.574 22.546 30.248 1.00 0.00 C ATOM 461 OH TYR A 32 23.260 22.633 31.416 1.00 0.00 O ATOM 0 H TYR A 32 21.120 19.631 26.984 1.00 0.00 H new ATOM 0 HA TYR A 32 19.970 21.181 24.768 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.026 23.199 25.821 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.521 22.665 26.544 1.00 0.00 H new ATOM 0 HD1 TYR A 32 23.185 22.108 26.919 1.00 0.00 H new ATOM 0 HD2 TYR A 32 19.437 22.379 28.959 1.00 0.00 H new ATOM 0 HE1 TYR A 32 24.374 22.631 29.046 1.00 0.00 H new ATOM 0 HE2 TYR A 32 20.591 22.356 31.143 1.00 0.00 H new ATOM 0 HH TYR A 32 22.999 23.451 31.889 1.00 0.00 H new ATOM 471 N ARG A 33 22.393 21.526 23.906 1.00 0.00 N ATOM 472 CA ARG A 33 23.650 21.322 23.162 1.00 0.00 C ATOM 473 C ARG A 33 24.583 22.496 23.382 1.00 0.00 C ATOM 474 O ARG A 33 24.308 23.605 22.930 1.00 0.00 O ATOM 475 CB ARG A 33 23.365 21.106 21.675 1.00 0.00 C ATOM 476 CG ARG A 33 22.589 19.815 21.428 1.00 0.00 C ATOM 477 CD ARG A 33 21.367 20.084 20.536 1.00 0.00 C ATOM 478 NE ARG A 33 20.410 19.002 20.719 1.00 0.00 N ATOM 479 CZ ARG A 33 19.176 18.863 20.285 1.00 0.00 C ATOM 480 NH1 ARG A 33 18.602 19.683 19.455 1.00 0.00 N ATOM 481 NH2 ARG A 33 18.470 17.870 20.720 1.00 0.00 N ATOM 0 H ARG A 33 21.823 22.284 23.532 1.00 0.00 H new ATOM 0 HA ARG A 33 24.142 20.425 23.537 1.00 0.00 H new ATOM 0 HB2 ARG A 33 22.797 21.951 21.287 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.306 21.075 21.125 1.00 0.00 H new ATOM 0 HG2 ARG A 33 23.238 19.079 20.954 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.266 19.390 22.379 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.912 21.040 20.796 1.00 0.00 H new ATOM 0 HD3 ARG A 33 21.669 20.149 19.491 1.00 0.00 H new ATOM 0 HE ARG A 33 20.754 18.221 21.277 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.113 20.492 19.101 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.641 19.517 19.157 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.872 17.212 21.388 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.511 17.745 20.395 1.00 0.00 H new ATOM 495 N THR A 34 25.657 22.240 24.113 1.00 0.00 N ATOM 496 CA THR A 34 26.617 23.272 24.547 1.00 0.00 C ATOM 497 C THR A 34 28.071 22.833 24.471 1.00 0.00 C ATOM 498 O THR A 34 28.383 21.644 24.397 1.00 0.00 O ATOM 499 CB THR A 34 26.319 23.752 25.981 1.00 0.00 C ATOM 500 OG1 THR A 34 26.348 22.703 26.922 1.00 0.00 O ATOM 501 CG2 THR A 34 24.945 24.399 26.096 1.00 0.00 C ATOM 0 H THR A 34 25.899 21.302 24.431 1.00 0.00 H new ATOM 0 HA THR A 34 26.482 24.090 23.839 1.00 0.00 H new ATOM 0 HB THR A 34 27.107 24.474 26.195 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.155 23.059 27.814 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.780 24.721 27.124 1.00 0.00 H new ATOM 0 HG22 THR A 34 24.892 25.262 25.432 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.178 23.677 25.814 1.00 0.00 H new ATOM 509 N CYS A 35 28.975 23.814 24.501 1.00 0.00 N ATOM 510 CA CYS A 35 30.416 23.563 24.487 1.00 0.00 C ATOM 511 C CYS A 35 30.980 23.225 25.873 1.00 0.00 C ATOM 512 O CYS A 35 31.315 24.100 26.675 1.00 0.00 O ATOM 513 CB CYS A 35 31.175 24.681 23.766 1.00 0.00 C ATOM 514 SG CYS A 35 31.520 24.175 22.063 1.00 0.00 S ATOM 0 H CYS A 35 28.729 24.803 24.536 1.00 0.00 H new ATOM 0 HA CYS A 35 30.578 22.659 23.900 1.00 0.00 H new ATOM 0 HB2 CYS A 35 30.585 25.598 23.772 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.107 24.898 24.288 1.00 0.00 H new ATOM 519 N ASN A 36 31.054 21.923 26.164 1.00 0.00 N ATOM 520 CA ASN A 36 31.674 21.401 27.375 1.00 0.00 C ATOM 521 C ASN A 36 33.205 21.501 27.253 1.00 0.00 C ATOM 522 O ASN A 36 33.756 21.622 26.161 1.00 0.00 O ATOM 523 CB ASN A 36 31.214 19.941 27.601 1.00 0.00 C ATOM 524 CG ASN A 36 31.712 19.383 28.931 1.00 0.00 C ATOM 525 OD1 ASN A 36 31.304 19.840 29.988 1.00 0.00 O ATOM 526 ND2 ASN A 36 32.615 18.424 28.940 1.00 0.00 N ATOM 0 H ASN A 36 30.679 21.196 25.554 1.00 0.00 H new ATOM 0 HA ASN A 36 31.366 21.990 28.239 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.125 19.896 27.574 1.00 0.00 H new ATOM 0 HB3 ASN A 36 31.579 19.316 26.786 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.970 18.066 29.827 1.00 0.00 H new ATOM 0 HD22 ASN A 36 32.959 18.039 28.060 1.00 0.00 H new ATOM 533 N LEU A 37 33.918 21.404 28.376 1.00 0.00 N ATOM 534 CA LEU A 37 35.366 21.354 28.387 1.00 0.00 C ATOM 535 C LEU A 37 35.957 20.172 27.594 1.00 0.00 C ATOM 536 O LEU A 37 37.068 20.296 27.093 1.00 0.00 O ATOM 537 CB LEU A 37 35.782 21.288 29.856 1.00 0.00 C ATOM 538 CG LEU A 37 35.946 22.701 30.406 1.00 0.00 C ATOM 539 CD1 LEU A 37 35.425 22.742 31.821 1.00 0.00 C ATOM 540 CD2 LEU A 37 37.428 22.982 30.372 1.00 0.00 C ATOM 0 H LEU A 37 33.497 21.358 29.304 1.00 0.00 H new ATOM 0 HA LEU A 37 35.758 22.239 27.886 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.032 20.747 30.433 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.718 20.738 29.955 1.00 0.00 H new ATOM 0 HG LEU A 37 35.395 23.443 29.828 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.539 23.749 32.222 1.00 0.00 H new ATOM 0 HD12 LEU A 37 34.371 22.465 31.829 1.00 0.00 H new ATOM 0 HD13 LEU A 37 35.989 22.041 32.437 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.617 23.985 30.755 1.00 0.00 H new ATOM 0 HD22 LEU A 37 37.951 22.253 30.991 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.788 22.912 29.346 1.00 0.00 H new ATOM 552 N LEU A 38 35.227 19.047 27.507 1.00 0.00 N ATOM 553 CA LEU A 38 35.644 17.759 26.926 1.00 0.00 C ATOM 554 C LEU A 38 34.515 16.896 26.307 1.00 0.00 C ATOM 555 O LEU A 38 33.346 17.196 26.564 1.00 0.00 O ATOM 556 CB LEU A 38 36.272 16.976 28.089 1.00 0.00 C ATOM 557 CG LEU A 38 37.567 17.543 28.658 1.00 0.00 C ATOM 558 CD1 LEU A 38 37.895 16.700 29.882 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.607 17.465 27.562 1.00 0.00 C ATOM 0 H LEU A 38 34.272 19.010 27.862 1.00 0.00 H new ATOM 0 HA LEU A 38 36.312 17.972 26.092 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.541 16.915 28.895 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.462 15.957 27.753 1.00 0.00 H new ATOM 0 HG LEU A 38 37.510 18.586 28.971 1.00 0.00 H new ATOM 0 HD11 LEU A 38 38.818 17.061 30.335 1.00 0.00 H new ATOM 0 HD12 LEU A 38 37.082 16.776 30.604 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.020 15.659 29.584 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.553 17.863 27.929 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.742 16.426 27.262 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.276 18.050 26.704 1.00 0.00 H new ATOM 571 N PRO A 39 34.838 15.837 25.528 1.00 0.00 N ATOM 572 CA PRO A 39 33.860 14.966 24.859 1.00 0.00 C ATOM 573 C PRO A 39 33.247 13.886 25.777 1.00 0.00 C ATOM 574 O PRO A 39 33.986 13.003 26.257 1.00 0.00 O ATOM 575 CB PRO A 39 34.628 14.336 23.692 1.00 0.00 C ATOM 576 CG PRO A 39 36.060 14.235 24.209 1.00 0.00 C ATOM 577 CD PRO A 39 36.193 15.443 25.135 1.00 0.00 C ATOM 0 HA PRO A 39 32.997 15.548 24.536 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.227 13.356 23.432 1.00 0.00 H new ATOM 0 HB3 PRO A 39 34.569 14.953 22.795 1.00 0.00 H new ATOM 0 HG2 PRO A 39 36.229 13.300 24.743 1.00 0.00 H new ATOM 0 HG3 PRO A 39 36.784 14.272 23.395 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.790 15.192 26.011 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.700 16.263 24.627 1.00 0.00 H new