USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 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 25 THR OG1 : rot 130:sc= -0.933 USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0.792 USER MOD Set 2.1: A 27 GLN : amide:sc= 0.667 K(o=0.76,f=0.09) USER MOD Set 2.2: A 28 TYR OH : rot 180:sc= 0.0939 USER MOD Set 3.1: A 24 LYS NZ :NH3+ -172:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 36 ASN : amide:sc= 1.34 K(o=2.6,f=-4.7!) USER MOD Set 4.1: A 8 SER OG : rot -59:sc= 2.17 USER MOD Set 4.2: A 10 SER OG : rot -54:sc= 1.09 USER MOD Single : A 7 SER OG : rot -74:sc= 0.959 USER MOD Single : A 9 ASN : amide:sc= -0.0891 K(o=-0.089,f=-3.4!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.0989 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0.066) USER MOD Single : A 22 LYS NZ :NH3+ -155:sc= 0.0197 (180deg=-2.27!) USER MOD Single : A 32 TYR OH : rot 164:sc= 1.21 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 27.910 29.096 27.431 1.00 0.00 N ATOM 45 CA GLU A 4 26.946 29.507 26.402 1.00 0.00 C ATOM 46 C GLU A 4 26.478 28.334 25.499 1.00 0.00 C ATOM 47 O GLU A 4 27.098 27.263 25.514 1.00 0.00 O ATOM 48 CB GLU A 4 27.568 30.704 25.658 1.00 0.00 C ATOM 49 CG GLU A 4 28.794 30.341 24.814 1.00 0.00 C ATOM 50 CD GLU A 4 30.017 31.180 25.171 1.00 0.00 C ATOM 51 OE1 GLU A 4 30.592 30.980 26.259 1.00 0.00 O ATOM 52 OE2 GLU A 4 30.430 32.059 24.388 1.00 0.00 O ATOM 0 HA GLU A 4 26.007 29.827 26.853 1.00 0.00 H new ATOM 0 HB2 GLU A 4 26.812 31.149 25.011 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.852 31.464 26.386 1.00 0.00 H new ATOM 0 HG2 GLU A 4 29.028 29.286 24.954 1.00 0.00 H new ATOM 0 HG3 GLU A 4 28.558 30.478 23.759 1.00 0.00 H new ATOM 59 N PRO A 5 25.351 28.480 24.772 1.00 0.00 N ATOM 60 CA PRO A 5 24.790 27.403 23.959 1.00 0.00 C ATOM 61 C PRO A 5 25.501 27.280 22.603 1.00 0.00 C ATOM 62 O PRO A 5 25.859 28.289 21.999 1.00 0.00 O ATOM 63 CB PRO A 5 23.314 27.775 23.791 1.00 0.00 C ATOM 64 CG PRO A 5 23.339 29.302 23.756 1.00 0.00 C ATOM 65 CD PRO A 5 24.499 29.660 24.693 1.00 0.00 C ATOM 0 HA PRO A 5 24.917 26.429 24.431 1.00 0.00 H new ATOM 0 HB2 PRO A 5 22.896 27.358 22.875 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.708 27.401 24.617 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.507 29.678 22.747 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.397 29.727 24.102 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.056 30.515 24.310 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.128 29.937 25.680 1.00 0.00 H new ATOM 73 N CYS A 6 25.643 26.054 22.094 1.00 0.00 N ATOM 74 CA CYS A 6 26.379 25.772 20.850 1.00 0.00 C ATOM 75 C CYS A 6 25.622 24.915 19.824 1.00 0.00 C ATOM 76 O CYS A 6 24.823 24.051 20.180 1.00 0.00 O ATOM 77 CB CYS A 6 27.726 25.141 21.222 1.00 0.00 C ATOM 78 SG CYS A 6 27.636 23.682 22.308 1.00 0.00 S ATOM 0 H CYS A 6 25.250 25.221 22.533 1.00 0.00 H new ATOM 0 HA CYS A 6 26.518 26.724 20.337 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.240 24.857 20.304 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.340 25.898 21.710 1.00 0.00 H new ATOM 83 N SER A 7 25.890 25.138 18.530 1.00 0.00 N ATOM 84 CA SER A 7 25.326 24.344 17.425 1.00 0.00 C ATOM 85 C SER A 7 26.209 23.140 17.053 1.00 0.00 C ATOM 86 O SER A 7 25.690 22.076 16.700 1.00 0.00 O ATOM 87 CB SER A 7 25.081 25.227 16.199 1.00 0.00 C ATOM 88 OG SER A 7 26.263 25.530 15.487 1.00 0.00 O ATOM 0 H SER A 7 26.512 25.883 18.215 1.00 0.00 H new ATOM 0 HA SER A 7 24.374 23.945 17.775 1.00 0.00 H new ATOM 0 HB2 SER A 7 24.381 24.725 15.531 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.608 26.156 16.517 1.00 0.00 H new ATOM 0 HG SER A 7 26.788 26.188 15.989 1.00 0.00 H new ATOM 94 N SER A 8 27.534 23.290 17.142 1.00 0.00 N ATOM 95 CA SER A 8 28.579 22.307 16.847 1.00 0.00 C ATOM 96 C SER A 8 29.801 22.502 17.756 1.00 0.00 C ATOM 97 O SER A 8 29.839 23.398 18.597 1.00 0.00 O ATOM 98 CB SER A 8 28.999 22.476 15.379 1.00 0.00 C ATOM 99 OG SER A 8 29.887 23.569 15.199 1.00 0.00 O ATOM 0 H SER A 8 27.936 24.176 17.448 1.00 0.00 H new ATOM 0 HA SER A 8 28.187 21.306 17.026 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.477 21.560 15.032 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.112 22.625 14.764 1.00 0.00 H new ATOM 0 HG SER A 8 29.454 24.395 15.500 1.00 0.00 H new ATOM 105 N ASN A 9 30.839 21.683 17.571 1.00 0.00 N ATOM 106 CA ASN A 9 32.125 21.823 18.264 1.00 0.00 C ATOM 107 C ASN A 9 32.853 23.129 17.915 1.00 0.00 C ATOM 108 O ASN A 9 33.600 23.663 18.729 1.00 0.00 O ATOM 109 CB ASN A 9 33.061 20.651 17.880 1.00 0.00 C ATOM 110 CG ASN A 9 33.256 20.379 16.392 1.00 0.00 C ATOM 111 OD1 ASN A 9 32.505 20.791 15.526 1.00 0.00 O ATOM 112 ND2 ASN A 9 34.290 19.653 16.044 1.00 0.00 N ATOM 0 H ASN A 9 30.811 20.893 16.927 1.00 0.00 H new ATOM 0 HA ASN A 9 31.897 21.825 19.330 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.040 20.841 18.321 1.00 0.00 H new ATOM 0 HB3 ASN A 9 32.674 19.743 18.342 1.00 0.00 H new ATOM 0 HD21 ASN A 9 34.456 19.441 15.060 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.929 19.300 16.757 1.00 0.00 H new ATOM 119 N SER A 10 32.655 23.624 16.696 1.00 0.00 N ATOM 120 CA SER A 10 33.367 24.772 16.139 1.00 0.00 C ATOM 121 C SER A 10 32.952 26.135 16.689 1.00 0.00 C ATOM 122 O SER A 10 33.757 27.062 16.703 1.00 0.00 O ATOM 123 CB SER A 10 33.294 24.672 14.618 1.00 0.00 C ATOM 124 OG SER A 10 32.020 25.005 14.096 1.00 0.00 O ATOM 0 H SER A 10 31.975 23.226 16.049 1.00 0.00 H new ATOM 0 HA SER A 10 34.405 24.719 16.468 1.00 0.00 H new ATOM 0 HB2 SER A 10 34.042 25.333 14.181 1.00 0.00 H new ATOM 0 HB3 SER A 10 33.549 23.657 14.315 1.00 0.00 H new ATOM 0 HG SER A 10 31.334 24.458 14.533 1.00 0.00 H new ATOM 130 N ASP A 11 31.756 26.218 17.264 1.00 0.00 N ATOM 131 CA ASP A 11 31.154 27.381 17.915 1.00 0.00 C ATOM 132 C ASP A 11 31.948 27.947 19.113 1.00 0.00 C ATOM 133 O ASP A 11 31.690 29.075 19.528 1.00 0.00 O ATOM 134 CB ASP A 11 29.762 26.953 18.414 1.00 0.00 C ATOM 135 CG ASP A 11 28.787 26.519 17.317 1.00 0.00 C ATOM 136 OD1 ASP A 11 29.090 25.579 16.552 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.633 27.007 17.305 1.00 0.00 O ATOM 0 H ASP A 11 31.132 25.411 17.290 1.00 0.00 H new ATOM 0 HA ASP A 11 31.130 28.181 17.175 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.882 26.130 19.119 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.319 27.783 18.965 1.00 0.00 H new ATOM 142 N CYS A 12 32.933 27.211 19.646 1.00 0.00 N ATOM 143 CA CYS A 12 33.683 27.563 20.862 1.00 0.00 C ATOM 144 C CYS A 12 35.183 27.244 20.767 1.00 0.00 C ATOM 145 O CYS A 12 35.917 27.365 21.749 1.00 0.00 O ATOM 146 CB CYS A 12 33.048 26.826 22.047 1.00 0.00 C ATOM 147 SG CYS A 12 31.523 27.564 22.689 1.00 0.00 S ATOM 0 H CYS A 12 33.239 26.330 19.233 1.00 0.00 H new ATOM 0 HA CYS A 12 33.622 28.643 20.996 1.00 0.00 H new ATOM 0 HB2 CYS A 12 32.837 25.800 21.745 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.777 26.776 22.856 1.00 0.00 H new ATOM 152 N ILE A 13 35.648 26.849 19.583 1.00 0.00 N ATOM 153 CA ILE A 13 37.032 26.598 19.240 1.00 0.00 C ATOM 154 C ILE A 13 37.759 27.943 19.067 1.00 0.00 C ATOM 155 O ILE A 13 37.173 28.932 18.632 1.00 0.00 O ATOM 156 CB ILE A 13 36.980 25.773 17.943 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.846 24.313 18.375 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.199 25.926 17.068 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.847 23.253 17.282 1.00 0.00 C ATOM 0 H ILE A 13 35.023 26.688 18.794 1.00 0.00 H new ATOM 0 HA ILE A 13 37.583 26.053 20.006 1.00 0.00 H new ATOM 0 HB ILE A 13 36.144 26.125 17.338 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.663 24.089 19.061 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.919 24.213 18.939 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.085 25.313 16.174 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.311 26.971 16.779 1.00 0.00 H new ATOM 0 HG23 ILE A 13 39.084 25.605 17.617 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.745 22.266 17.733 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.013 23.430 16.603 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.784 23.304 16.727 1.00 0.00 H new ATOM 171 N GLY A 14 39.057 27.976 19.357 1.00 0.00 N ATOM 172 CA GLY A 14 39.955 29.125 19.148 1.00 0.00 C ATOM 173 C GLY A 14 39.738 30.344 20.059 1.00 0.00 C ATOM 174 O GLY A 14 40.703 31.030 20.389 1.00 0.00 O ATOM 0 H GLY A 14 39.539 27.173 19.761 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.982 28.782 19.276 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.855 29.451 18.113 1.00 0.00 H new ATOM 178 N ILE A 15 38.495 30.625 20.465 1.00 0.00 N ATOM 179 CA ILE A 15 38.127 31.671 21.430 1.00 0.00 C ATOM 180 C ILE A 15 38.583 31.232 22.827 1.00 0.00 C ATOM 181 O ILE A 15 39.121 32.020 23.598 1.00 0.00 O ATOM 182 CB ILE A 15 36.630 32.035 21.270 1.00 0.00 C ATOM 183 CG1 ILE A 15 35.626 30.871 21.434 1.00 0.00 C ATOM 184 CG2 ILE A 15 36.439 32.562 19.842 1.00 0.00 C ATOM 185 CD1 ILE A 15 35.201 30.719 22.882 1.00 0.00 C ATOM 0 H ILE A 15 37.685 30.111 20.118 1.00 0.00 H new ATOM 0 HA ILE A 15 38.644 32.612 21.244 1.00 0.00 H new ATOM 0 HB ILE A 15 36.417 32.747 22.067 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.750 31.051 20.811 1.00 0.00 H new ATOM 0 HG13 ILE A 15 36.079 29.943 21.085 1.00 0.00 H new ATOM 0 HG21 ILE A 15 35.393 32.830 19.690 1.00 0.00 H new ATOM 0 HG22 ILE A 15 37.065 33.442 19.692 1.00 0.00 H new ATOM 0 HG23 ILE A 15 36.723 31.789 19.128 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.495 29.893 22.969 1.00 0.00 H new ATOM 0 HD12 ILE A 15 36.076 30.514 23.499 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.726 31.640 23.220 1.00 0.00 H new ATOM 197 N THR A 16 38.442 29.931 23.083 1.00 0.00 N ATOM 198 CA THR A 16 38.858 29.131 24.219 1.00 0.00 C ATOM 199 C THR A 16 39.144 27.708 23.679 1.00 0.00 C ATOM 200 O THR A 16 38.780 27.367 22.555 1.00 0.00 O ATOM 201 CB THR A 16 37.714 29.097 25.250 1.00 0.00 C ATOM 202 OG1 THR A 16 37.294 30.378 25.651 1.00 0.00 O ATOM 203 CG2 THR A 16 38.205 28.463 26.528 1.00 0.00 C ATOM 0 H THR A 16 37.967 29.341 22.399 1.00 0.00 H new ATOM 0 HA THR A 16 39.744 29.539 24.704 1.00 0.00 H new ATOM 0 HB THR A 16 36.903 28.557 24.762 1.00 0.00 H new ATOM 0 HG1 THR A 16 36.567 30.295 26.303 1.00 0.00 H new ATOM 0 HG21 THR A 16 37.395 28.439 27.257 1.00 0.00 H new ATOM 0 HG22 THR A 16 38.540 27.446 26.324 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.036 29.045 26.927 1.00 0.00 H new ATOM 211 N LEU A 17 39.777 26.829 24.459 1.00 0.00 N ATOM 212 CA LEU A 17 40.015 25.412 24.135 1.00 0.00 C ATOM 213 C LEU A 17 38.752 24.509 24.218 1.00 0.00 C ATOM 214 O LEU A 17 38.867 23.288 24.185 1.00 0.00 O ATOM 215 CB LEU A 17 41.111 24.869 25.079 1.00 0.00 C ATOM 216 CG LEU A 17 42.359 25.731 25.263 1.00 0.00 C ATOM 217 CD1 LEU A 17 43.243 24.936 26.207 1.00 0.00 C ATOM 218 CD2 LEU A 17 43.060 25.966 23.935 1.00 0.00 C ATOM 0 H LEU A 17 40.154 27.090 25.370 1.00 0.00 H new ATOM 0 HA LEU A 17 40.327 25.377 23.091 1.00 0.00 H new ATOM 0 HB2 LEU A 17 40.664 24.708 26.060 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.425 23.894 24.707 1.00 0.00 H new ATOM 0 HG LEU A 17 42.119 26.719 25.657 1.00 0.00 H new ATOM 0 HD11 LEU A 17 44.165 25.487 26.393 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.719 24.778 27.150 1.00 0.00 H new ATOM 0 HD13 LEU A 17 43.481 23.972 25.758 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.945 26.582 24.095 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.357 25.009 23.506 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.382 26.476 23.251 1.00 0.00 H new ATOM 230 N CYS A 18 37.543 25.079 24.285 1.00 0.00 N ATOM 231 CA CYS A 18 36.260 24.393 24.503 1.00 0.00 C ATOM 232 C CYS A 18 35.673 23.766 23.233 1.00 0.00 C ATOM 233 O CYS A 18 34.530 24.009 22.853 1.00 0.00 O ATOM 234 CB CYS A 18 35.268 25.359 25.144 1.00 0.00 C ATOM 235 SG CYS A 18 35.767 26.073 26.719 1.00 0.00 S ATOM 0 H CYS A 18 37.425 26.087 24.183 1.00 0.00 H new ATOM 0 HA CYS A 18 36.455 23.558 25.176 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.078 26.172 24.443 1.00 0.00 H new ATOM 0 HB3 CYS A 18 34.323 24.835 25.288 1.00 0.00 H new ATOM 0 HG CYS A 18 34.836 26.873 27.147 1.00 0.00 H new ATOM 240 N GLN A 19 36.471 22.949 22.553 1.00 0.00 N ATOM 241 CA GLN A 19 36.103 22.236 21.324 1.00 0.00 C ATOM 242 C GLN A 19 35.063 21.108 21.503 1.00 0.00 C ATOM 243 O GLN A 19 34.778 20.371 20.556 1.00 0.00 O ATOM 244 CB GLN A 19 37.376 21.733 20.642 1.00 0.00 C ATOM 245 CG GLN A 19 38.353 20.927 21.486 1.00 0.00 C ATOM 246 CD GLN A 19 39.568 20.495 20.665 1.00 0.00 C ATOM 247 OE1 GLN A 19 39.777 19.331 20.367 1.00 0.00 O ATOM 248 NE2 GLN A 19 40.397 21.425 20.231 1.00 0.00 N ATOM 0 H GLN A 19 37.428 22.755 22.849 1.00 0.00 H new ATOM 0 HA GLN A 19 35.589 22.956 20.687 1.00 0.00 H new ATOM 0 HB2 GLN A 19 37.082 21.120 19.790 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.908 22.597 20.244 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.680 21.524 22.338 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.851 20.047 21.887 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.237 22.403 20.471 1.00 0.00 H new ATOM 0 HE22 GLN A 19 41.198 21.166 19.655 1.00 0.00 H new ATOM 257 N PHE A 20 34.472 20.962 22.693 1.00 0.00 N ATOM 258 CA PHE A 20 33.578 19.860 23.032 1.00 0.00 C ATOM 259 C PHE A 20 32.134 20.285 23.376 1.00 0.00 C ATOM 260 O PHE A 20 31.691 20.269 24.524 1.00 0.00 O ATOM 261 CB PHE A 20 34.288 19.024 24.103 1.00 0.00 C ATOM 262 CG PHE A 20 35.693 18.570 23.719 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.873 17.713 22.619 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.829 18.995 24.438 1.00 0.00 C ATOM 265 CE1 PHE A 20 37.156 17.273 22.253 1.00 0.00 C ATOM 266 CE2 PHE A 20 38.114 18.551 24.079 1.00 0.00 C ATOM 267 CZ PHE A 20 38.281 17.682 22.987 1.00 0.00 C ATOM 0 H PHE A 20 34.607 21.621 23.460 1.00 0.00 H new ATOM 0 HA PHE A 20 33.398 19.241 22.153 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.346 19.607 25.022 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.682 18.145 24.321 1.00 0.00 H new ATOM 0 HD1 PHE A 20 35.015 17.389 22.049 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.711 19.669 25.274 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.278 16.617 21.403 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.974 18.878 24.644 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.266 17.332 22.715 1.00 0.00 H new ATOM 277 N CYS A 21 31.374 20.651 22.337 1.00 0.00 N ATOM 278 CA CYS A 21 29.944 20.981 22.421 1.00 0.00 C ATOM 279 C CYS A 21 29.099 19.737 22.773 1.00 0.00 C ATOM 280 O CYS A 21 28.738 18.944 21.900 1.00 0.00 O ATOM 281 CB CYS A 21 29.491 21.619 21.102 1.00 0.00 C ATOM 282 SG CYS A 21 27.737 22.100 21.039 1.00 0.00 S ATOM 0 H CYS A 21 31.745 20.728 21.390 1.00 0.00 H new ATOM 0 HA CYS A 21 29.792 21.699 23.227 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.101 22.503 20.916 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.689 20.918 20.291 1.00 0.00 H new ATOM 287 N LYS A 22 28.826 19.540 24.066 1.00 0.00 N ATOM 288 CA LYS A 22 28.129 18.396 24.659 1.00 0.00 C ATOM 289 C LYS A 22 26.665 18.663 24.979 1.00 0.00 C ATOM 290 O LYS A 22 26.346 19.653 25.639 1.00 0.00 O ATOM 291 CB LYS A 22 28.871 18.040 25.968 1.00 0.00 C ATOM 292 CG LYS A 22 29.672 16.751 25.848 1.00 0.00 C ATOM 293 CD LYS A 22 28.799 15.522 26.157 1.00 0.00 C ATOM 294 CE LYS A 22 29.518 14.185 25.916 1.00 0.00 C ATOM 295 NZ LYS A 22 30.409 13.773 27.027 1.00 0.00 N ATOM 0 H LYS A 22 29.105 20.221 24.773 1.00 0.00 H new ATOM 0 HA LYS A 22 28.136 17.585 23.931 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.541 18.857 26.237 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.148 17.941 26.777 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.081 16.666 24.841 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.519 16.781 26.534 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.474 15.569 27.196 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.901 15.559 25.540 1.00 0.00 H new ATOM 0 HE2 LYS A 22 28.772 13.407 25.754 1.00 0.00 H new ATOM 0 HE3 LYS A 22 30.105 14.259 25.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.151 13.142 26.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.848 14.615 27.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 29.854 13.272 27.750 1.00 0.00 H new ATOM 309 N GLU A 23 25.774 17.773 24.532 1.00 0.00 N ATOM 310 CA GLU A 23 24.364 17.835 24.918 1.00 0.00 C ATOM 311 C GLU A 23 24.258 17.135 26.277 1.00 0.00 C ATOM 312 O GLU A 23 24.366 15.914 26.377 1.00 0.00 O ATOM 313 CB GLU A 23 23.365 17.267 23.882 1.00 0.00 C ATOM 314 CG GLU A 23 22.090 18.087 23.928 1.00 0.00 C ATOM 315 CD GLU A 23 21.056 17.697 22.851 1.00 0.00 C ATOM 316 OE1 GLU A 23 21.136 16.591 22.265 1.00 0.00 O ATOM 317 OE2 GLU A 23 20.203 18.567 22.550 1.00 0.00 O ATOM 0 H GLU A 23 26.005 17.003 23.904 1.00 0.00 H new ATOM 0 HA GLU A 23 24.064 18.881 24.974 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.799 17.300 22.883 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.149 16.221 24.101 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.634 17.977 24.912 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.343 19.141 23.810 1.00 0.00 H new ATOM 324 N LYS A 24 24.133 17.935 27.332 1.00 0.00 N ATOM 325 CA LYS A 24 23.909 17.516 28.721 1.00 0.00 C ATOM 326 C LYS A 24 22.521 17.979 29.118 1.00 0.00 C ATOM 327 O LYS A 24 21.810 18.595 28.329 1.00 0.00 O ATOM 328 CB LYS A 24 25.051 18.013 29.635 1.00 0.00 C ATOM 329 CG LYS A 24 25.107 19.543 29.821 1.00 0.00 C ATOM 330 CD LYS A 24 26.177 19.980 30.842 1.00 0.00 C ATOM 331 CE LYS A 24 27.608 19.844 30.295 1.00 0.00 C ATOM 332 NZ LYS A 24 28.632 19.993 31.362 1.00 0.00 N ATOM 0 H LYS A 24 24.188 18.949 27.241 1.00 0.00 H new ATOM 0 HA LYS A 24 23.937 16.432 28.831 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.945 17.545 30.614 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.002 17.676 29.222 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.314 20.014 28.860 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.131 19.901 30.148 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.999 21.016 31.128 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.079 19.378 31.746 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.722 18.871 29.817 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.775 20.598 29.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.578 20.030 30.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.457 20.871 31.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.578 19.182 32.011 1.00 0.00 H new ATOM 346 N THR A 25 22.096 17.628 30.318 1.00 0.00 N ATOM 347 CA THR A 25 20.738 17.931 30.741 1.00 0.00 C ATOM 348 C THR A 25 20.692 18.259 32.204 1.00 0.00 C ATOM 349 O THR A 25 21.553 17.852 32.987 1.00 0.00 O ATOM 350 CB THR A 25 19.806 16.813 30.304 1.00 0.00 C ATOM 351 OG1 THR A 25 18.453 17.093 30.299 1.00 0.00 O ATOM 352 CG2 THR A 25 19.846 15.650 31.230 1.00 0.00 C ATOM 0 H THR A 25 22.662 17.139 31.011 1.00 0.00 H new ATOM 0 HA THR A 25 20.377 18.833 30.247 1.00 0.00 H new ATOM 0 HB THR A 25 20.183 16.639 29.296 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.069 16.835 29.435 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.163 14.878 30.875 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.859 15.249 31.267 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.545 15.969 32.228 1.00 0.00 H new ATOM 360 N ASP A 26 19.673 19.020 32.546 1.00 0.00 N ATOM 361 CA ASP A 26 19.510 19.530 33.878 1.00 0.00 C ATOM 362 C ASP A 26 18.911 18.469 34.795 1.00 0.00 C ATOM 363 O ASP A 26 18.454 17.403 34.377 1.00 0.00 O ATOM 364 CB ASP A 26 18.699 20.836 33.845 1.00 0.00 C ATOM 365 CG ASP A 26 19.489 21.823 34.697 1.00 0.00 C ATOM 366 OD1 ASP A 26 19.435 21.659 35.939 1.00 0.00 O ATOM 367 OD2 ASP A 26 20.277 22.596 34.110 1.00 0.00 O ATOM 0 H ASP A 26 18.935 19.299 31.900 1.00 0.00 H new ATOM 0 HA ASP A 26 20.485 19.774 34.299 1.00 0.00 H new ATOM 0 HB2 ASP A 26 18.584 21.202 32.825 1.00 0.00 H new ATOM 0 HB3 ASP A 26 17.696 20.686 34.245 1.00 0.00 H new ATOM 372 N GLN A 27 18.827 18.798 36.073 1.00 0.00 N ATOM 373 CA GLN A 27 18.280 17.920 37.121 1.00 0.00 C ATOM 374 C GLN A 27 16.782 17.588 36.970 1.00 0.00 C ATOM 375 O GLN A 27 16.196 16.855 37.762 1.00 0.00 O ATOM 376 CB GLN A 27 18.554 18.571 38.483 1.00 0.00 C ATOM 377 CG GLN A 27 17.768 19.887 38.686 1.00 0.00 C ATOM 378 CD GLN A 27 18.118 20.607 39.993 1.00 0.00 C ATOM 379 OE1 GLN A 27 19.182 20.462 40.576 1.00 0.00 O ATOM 380 NE2 GLN A 27 17.245 21.425 40.527 1.00 0.00 N ATOM 0 H GLN A 27 19.141 19.700 36.430 1.00 0.00 H new ATOM 0 HA GLN A 27 18.784 16.958 37.028 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.291 17.870 39.275 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.621 18.772 38.577 1.00 0.00 H new ATOM 0 HG2 GLN A 27 17.967 20.554 37.847 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.700 19.670 38.674 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.344 21.576 40.074 1.00 0.00 H new ATOM 0 HE22 GLN A 27 17.467 21.911 41.396 1.00 0.00 H new ATOM 389 N TYR A 28 16.168 18.167 35.947 1.00 0.00 N ATOM 390 CA TYR A 28 14.778 18.059 35.528 1.00 0.00 C ATOM 391 C TYR A 28 14.628 17.236 34.230 1.00 0.00 C ATOM 392 O TYR A 28 13.515 16.906 33.834 1.00 0.00 O ATOM 393 CB TYR A 28 14.326 19.496 35.262 1.00 0.00 C ATOM 394 CG TYR A 28 14.428 20.468 36.416 1.00 0.00 C ATOM 395 CD1 TYR A 28 13.810 20.204 37.651 1.00 0.00 C ATOM 396 CD2 TYR A 28 15.173 21.650 36.224 1.00 0.00 C ATOM 397 CE1 TYR A 28 13.960 21.117 38.718 1.00 0.00 C ATOM 398 CE2 TYR A 28 15.312 22.572 37.276 1.00 0.00 C ATOM 399 CZ TYR A 28 14.716 22.297 38.535 1.00 0.00 C ATOM 400 OH TYR A 28 14.916 23.132 39.590 1.00 0.00 O ATOM 0 H TYR A 28 16.686 18.789 35.326 1.00 0.00 H new ATOM 0 HA TYR A 28 14.187 17.554 36.292 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.915 19.889 34.434 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.288 19.470 34.931 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.223 19.307 37.783 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.637 21.847 35.269 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.498 20.914 39.673 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.869 23.485 37.127 1.00 0.00 H new ATOM 0 HH TYR A 28 15.456 23.898 39.303 1.00 0.00 H new ATOM 410 N GLY A 29 15.745 16.937 33.557 1.00 0.00 N ATOM 411 CA GLY A 29 15.797 16.269 32.249 1.00 0.00 C ATOM 412 C GLY A 29 15.693 17.234 31.057 1.00 0.00 C ATOM 413 O GLY A 29 15.450 16.798 29.928 1.00 0.00 O ATOM 0 H GLY A 29 16.671 17.161 33.920 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.730 15.711 32.173 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.986 15.543 32.189 1.00 0.00 H new ATOM 417 N LEU A 30 15.887 18.540 31.298 1.00 0.00 N ATOM 418 CA LEU A 30 15.941 19.587 30.274 1.00 0.00 C ATOM 419 C LEU A 30 17.290 19.514 29.615 1.00 0.00 C ATOM 420 O LEU A 30 18.282 19.857 30.240 1.00 0.00 O ATOM 421 CB LEU A 30 15.899 20.981 30.887 1.00 0.00 C ATOM 422 CG LEU A 30 14.531 21.609 31.061 1.00 0.00 C ATOM 423 CD1 LEU A 30 13.807 20.701 31.995 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.821 22.912 31.769 1.00 0.00 C ATOM 0 H LEU A 30 16.014 18.905 32.242 1.00 0.00 H new ATOM 0 HA LEU A 30 15.097 19.433 29.602 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.380 20.937 31.864 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.501 21.644 30.265 1.00 0.00 H new ATOM 0 HG LEU A 30 13.961 21.760 30.144 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.803 21.087 32.173 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.740 19.706 31.556 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.347 20.645 32.940 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.887 23.447 31.943 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.305 22.707 32.724 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.480 23.523 31.152 1.00 0.00 H new ATOM 436 N THR A 31 17.329 19.017 28.402 1.00 0.00 N ATOM 437 CA THR A 31 18.522 18.769 27.624 1.00 0.00 C ATOM 438 C THR A 31 18.913 19.993 26.792 1.00 0.00 C ATOM 439 O THR A 31 18.053 20.686 26.245 1.00 0.00 O ATOM 440 CB THR A 31 18.260 17.542 26.758 1.00 0.00 C ATOM 441 OG1 THR A 31 18.054 16.433 27.604 1.00 0.00 O ATOM 442 CG2 THR A 31 19.492 17.298 25.927 1.00 0.00 C ATOM 0 H THR A 31 16.479 18.759 27.901 1.00 0.00 H new ATOM 0 HA THR A 31 19.371 18.579 28.280 1.00 0.00 H new ATOM 0 HB THR A 31 17.388 17.691 26.121 1.00 0.00 H new ATOM 0 HG1 THR A 31 17.882 15.635 27.061 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.337 16.424 25.294 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.687 18.169 25.301 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.345 17.124 26.583 1.00 0.00 H new ATOM 450 N TYR A 32 20.220 20.247 26.699 1.00 0.00 N ATOM 451 CA TYR A 32 20.831 21.391 26.031 1.00 0.00 C ATOM 452 C TYR A 32 22.317 21.170 25.673 1.00 0.00 C ATOM 453 O TYR A 32 23.090 20.553 26.408 1.00 0.00 O ATOM 454 CB TYR A 32 20.686 22.604 26.951 1.00 0.00 C ATOM 455 CG TYR A 32 21.111 22.355 28.382 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.447 22.568 28.719 1.00 0.00 C ATOM 457 CD2 TYR A 32 20.212 21.876 29.350 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.852 22.494 30.069 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.602 21.733 30.693 1.00 0.00 C ATOM 460 CZ TYR A 32 21.915 22.109 31.070 1.00 0.00 C ATOM 461 OH TYR A 32 22.286 22.084 32.379 1.00 0.00 O ATOM 0 H TYR A 32 20.915 19.625 27.111 1.00 0.00 H new ATOM 0 HA TYR A 32 20.317 21.545 25.082 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.278 23.425 26.546 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.645 22.928 26.945 1.00 0.00 H new ATOM 0 HD1 TYR A 32 23.171 22.789 27.948 1.00 0.00 H new ATOM 0 HD2 TYR A 32 19.206 21.614 29.058 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.870 22.729 30.342 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.912 21.343 31.426 1.00 0.00 H new ATOM 0 HH TYR A 32 21.487 22.054 32.945 1.00 0.00 H new ATOM 471 N ARG A 33 22.743 21.726 24.537 1.00 0.00 N ATOM 472 CA ARG A 33 24.108 21.745 24.003 1.00 0.00 C ATOM 473 C ARG A 33 24.885 22.961 24.481 1.00 0.00 C ATOM 474 O ARG A 33 24.521 24.097 24.191 1.00 0.00 O ATOM 475 CB ARG A 33 24.077 21.715 22.462 1.00 0.00 C ATOM 476 CG ARG A 33 24.200 20.300 21.910 1.00 0.00 C ATOM 477 CD ARG A 33 23.010 19.844 21.070 1.00 0.00 C ATOM 478 NE ARG A 33 22.741 20.651 19.874 1.00 0.00 N ATOM 479 CZ ARG A 33 23.507 20.870 18.824 1.00 0.00 C ATOM 480 NH1 ARG A 33 24.654 20.291 18.638 1.00 0.00 N ATOM 481 NH2 ARG A 33 23.139 21.687 17.885 1.00 0.00 N ATOM 0 H ARG A 33 22.094 22.212 23.919 1.00 0.00 H new ATOM 0 HA ARG A 33 24.618 20.856 24.375 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.146 22.160 22.111 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.890 22.327 22.072 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.103 20.237 21.303 1.00 0.00 H new ATOM 0 HG3 ARG A 33 24.327 19.608 22.743 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.178 18.812 20.762 1.00 0.00 H new ATOM 0 HD3 ARG A 33 22.120 19.848 21.699 1.00 0.00 H new ATOM 0 HE ARG A 33 21.830 21.108 19.852 1.00 0.00 H new ATOM 0 HH11 ARG A 33 25.007 19.625 19.326 1.00 0.00 H new ATOM 0 HH12 ARG A 33 25.202 20.502 17.804 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.244 22.172 17.953 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.745 21.844 17.080 1.00 0.00 H new ATOM 495 N THR A 34 25.953 22.693 25.218 1.00 0.00 N ATOM 496 CA THR A 34 26.837 23.683 25.847 1.00 0.00 C ATOM 497 C THR A 34 28.305 23.311 25.656 1.00 0.00 C ATOM 498 O THR A 34 28.652 22.136 25.487 1.00 0.00 O ATOM 499 CB THR A 34 26.512 23.821 27.343 1.00 0.00 C ATOM 500 OG1 THR A 34 26.415 22.558 27.975 1.00 0.00 O ATOM 501 CG2 THR A 34 25.175 24.538 27.507 1.00 0.00 C ATOM 0 H THR A 34 26.247 21.735 25.407 1.00 0.00 H new ATOM 0 HA THR A 34 26.665 24.643 25.360 1.00 0.00 H new ATOM 0 HB THR A 34 27.321 24.386 27.806 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.209 22.683 28.925 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.943 24.637 28.567 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.235 25.528 27.055 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.391 23.962 27.016 1.00 0.00 H new ATOM 509 N CYS A 35 29.177 24.317 25.661 1.00 0.00 N ATOM 510 CA CYS A 35 30.604 24.139 25.387 1.00 0.00 C ATOM 511 C CYS A 35 31.352 23.574 26.602 1.00 0.00 C ATOM 512 O CYS A 35 32.028 24.291 27.337 1.00 0.00 O ATOM 513 CB CYS A 35 31.197 25.447 24.859 1.00 0.00 C ATOM 514 SG CYS A 35 30.471 25.935 23.279 1.00 0.00 S ATOM 0 H CYS A 35 28.914 25.283 25.856 1.00 0.00 H new ATOM 0 HA CYS A 35 30.727 23.389 24.606 1.00 0.00 H new ATOM 0 HB2 CYS A 35 31.036 26.239 25.591 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.275 25.335 24.743 1.00 0.00 H new ATOM 519 N ASN A 36 31.232 22.263 26.825 1.00 0.00 N ATOM 520 CA ASN A 36 31.970 21.570 27.876 1.00 0.00 C ATOM 521 C ASN A 36 33.486 21.646 27.594 1.00 0.00 C ATOM 522 O ASN A 36 33.930 21.688 26.446 1.00 0.00 O ATOM 523 CB ASN A 36 31.434 20.127 27.990 1.00 0.00 C ATOM 524 CG ASN A 36 31.806 19.477 29.308 1.00 0.00 C ATOM 525 OD1 ASN A 36 31.249 19.810 30.344 1.00 0.00 O ATOM 526 ND2 ASN A 36 32.719 18.536 29.331 1.00 0.00 N ATOM 0 H ASN A 36 30.620 21.655 26.281 1.00 0.00 H new ATOM 0 HA ASN A 36 31.820 22.049 28.843 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.349 20.136 27.885 1.00 0.00 H new ATOM 0 HB3 ASN A 36 31.829 19.529 27.169 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.963 18.084 30.212 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.185 18.256 28.468 1.00 0.00 H new ATOM 533 N LEU A 37 34.301 21.628 28.650 1.00 0.00 N ATOM 534 CA LEU A 37 35.757 21.610 28.546 1.00 0.00 C ATOM 535 C LEU A 37 36.311 20.293 27.972 1.00 0.00 C ATOM 536 O LEU A 37 37.480 20.246 27.604 1.00 0.00 O ATOM 537 CB LEU A 37 36.334 21.892 29.952 1.00 0.00 C ATOM 538 CG LEU A 37 36.606 23.320 30.385 1.00 0.00 C ATOM 539 CD1 LEU A 37 37.704 23.839 29.494 1.00 0.00 C ATOM 540 CD2 LEU A 37 35.331 24.117 30.322 1.00 0.00 C ATOM 0 H LEU A 37 33.962 21.626 29.612 1.00 0.00 H new ATOM 0 HA LEU A 37 36.065 22.379 27.838 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.647 21.458 30.678 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.272 21.344 30.034 1.00 0.00 H new ATOM 0 HG LEU A 37 36.941 23.396 31.419 1.00 0.00 H new ATOM 0 HD11 LEU A 37 37.938 24.868 29.766 1.00 0.00 H new ATOM 0 HD12 LEU A 37 38.593 23.221 29.615 1.00 0.00 H new ATOM 0 HD13 LEU A 37 37.376 23.804 28.455 1.00 0.00 H new ATOM 0 HD21 LEU A 37 35.527 25.143 30.633 1.00 0.00 H new ATOM 0 HD22 LEU A 37 34.950 24.114 29.301 1.00 0.00 H new ATOM 0 HD23 LEU A 37 34.590 23.672 30.986 1.00 0.00 H new ATOM 552 N LEU A 38 35.487 19.239 27.900 1.00 0.00 N ATOM 553 CA LEU A 38 35.828 17.878 27.461 1.00 0.00 C ATOM 554 C LEU A 38 34.678 17.182 26.705 1.00 0.00 C ATOM 555 O LEU A 38 33.535 17.633 26.838 1.00 0.00 O ATOM 556 CB LEU A 38 36.227 17.056 28.696 1.00 0.00 C ATOM 557 CG LEU A 38 37.518 17.474 29.389 1.00 0.00 C ATOM 558 CD1 LEU A 38 37.655 16.593 30.622 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.645 17.245 28.410 1.00 0.00 C ATOM 0 H LEU A 38 34.505 19.318 28.163 1.00 0.00 H new ATOM 0 HA LEU A 38 36.656 17.948 26.755 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.415 17.110 29.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.320 16.012 28.398 1.00 0.00 H new ATOM 0 HG LEU A 38 37.529 18.520 29.694 1.00 0.00 H new ATOM 0 HD11 LEU A 38 38.569 16.854 31.156 1.00 0.00 H new ATOM 0 HD12 LEU A 38 36.796 16.746 31.276 1.00 0.00 H new ATOM 0 HD13 LEU A 38 37.698 15.547 30.319 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.590 17.533 28.870 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.681 16.190 28.137 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.478 17.846 27.516 1.00 0.00 H new ATOM 571 N PRO A 39 34.965 16.120 25.920 1.00 0.00 N ATOM 572 CA PRO A 39 33.965 15.376 25.150 1.00 0.00 C ATOM 573 C PRO A 39 33.133 14.420 26.027 1.00 0.00 C ATOM 574 O PRO A 39 32.596 13.418 25.491 1.00 0.00 O ATOM 575 CB PRO A 39 34.768 14.688 24.041 1.00 0.00 C ATOM 576 CG PRO A 39 36.121 14.413 24.686 1.00 0.00 C ATOM 577 CD PRO A 39 36.296 15.573 25.669 1.00 0.00 C ATOM 0 HA PRO A 39 33.198 16.022 24.723 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.287 13.767 23.712 1.00 0.00 H new ATOM 0 HB3 PRO A 39 34.866 15.327 23.163 1.00 0.00 H new ATOM 0 HG2 PRO A 39 36.133 13.450 25.197 1.00 0.00 H new ATOM 0 HG3 PRO A 39 36.921 14.391 23.946 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.753 15.228 26.596 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.955 16.335 25.253 1.00 0.00 H new