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 27 GLN : amide:sc= 1.22 K(o=1.2,f=-0.022) USER MOD Set 1.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -172:sc= 1.14 (180deg=0) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.186! K(o=0.95!,f=-3.3) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 9 ASN : amide:sc= 0.923 K(o=0.92,f=-0.003) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 13:sc= 0.543 USER MOD Single : A 18 CYS SG : rot 180:sc=-0.00278 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 -71:sc= 0.0236 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 110:sc= -0.0159 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 29.062 29.030 28.170 1.00 0.00 N ATOM 45 CA GLU A 4 27.803 29.423 27.515 1.00 0.00 C ATOM 46 C GLU A 4 27.298 28.295 26.559 1.00 0.00 C ATOM 47 O GLU A 4 27.948 27.240 26.481 1.00 0.00 O ATOM 48 CB GLU A 4 27.994 30.842 26.939 1.00 0.00 C ATOM 49 CG GLU A 4 28.827 30.919 25.663 1.00 0.00 C ATOM 50 CD GLU A 4 28.967 32.386 25.210 1.00 0.00 C ATOM 51 OE1 GLU A 4 29.786 33.140 25.819 1.00 0.00 O ATOM 52 OE2 GLU A 4 28.240 32.816 24.291 1.00 0.00 O ATOM 0 HA GLU A 4 26.965 29.512 28.206 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.012 31.271 26.739 1.00 0.00 H new ATOM 0 HB3 GLU A 4 28.465 31.465 27.699 1.00 0.00 H new ATOM 0 HG2 GLU A 4 29.813 30.488 25.837 1.00 0.00 H new ATOM 0 HG3 GLU A 4 28.356 30.330 24.876 1.00 0.00 H new ATOM 59 N PRO A 5 26.103 28.401 25.937 1.00 0.00 N ATOM 60 CA PRO A 5 25.540 27.323 25.121 1.00 0.00 C ATOM 61 C PRO A 5 26.229 27.203 23.752 1.00 0.00 C ATOM 62 O PRO A 5 27.015 28.061 23.361 1.00 0.00 O ATOM 63 CB PRO A 5 24.048 27.651 25.000 1.00 0.00 C ATOM 64 CG PRO A 5 24.020 29.179 25.041 1.00 0.00 C ATOM 65 CD PRO A 5 25.193 29.536 25.957 1.00 0.00 C ATOM 0 HA PRO A 5 25.698 26.348 25.582 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.625 27.266 24.072 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.473 27.216 25.817 1.00 0.00 H new ATOM 0 HG2 PRO A 5 24.142 29.609 24.047 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.075 29.552 25.436 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.694 30.439 25.609 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.845 29.735 26.971 1.00 0.00 H new ATOM 73 N CYS A 6 25.937 26.128 23.019 1.00 0.00 N ATOM 74 CA CYS A 6 26.515 25.882 21.685 1.00 0.00 C ATOM 75 C CYS A 6 25.535 25.208 20.710 1.00 0.00 C ATOM 76 O CYS A 6 24.459 24.762 21.094 1.00 0.00 O ATOM 77 CB CYS A 6 27.784 25.035 21.869 1.00 0.00 C ATOM 78 SG CYS A 6 27.531 23.398 22.615 1.00 0.00 S ATOM 0 H CYS A 6 25.294 25.399 23.328 1.00 0.00 H new ATOM 0 HA CYS A 6 26.753 26.843 21.229 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.255 24.902 20.895 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.485 25.593 22.489 1.00 0.00 H new ATOM 83 N SER A 7 25.918 25.118 19.435 1.00 0.00 N ATOM 84 CA SER A 7 25.180 24.410 18.375 1.00 0.00 C ATOM 85 C SER A 7 25.940 23.186 17.847 1.00 0.00 C ATOM 86 O SER A 7 25.366 22.106 17.687 1.00 0.00 O ATOM 87 CB SER A 7 24.899 25.408 17.253 1.00 0.00 C ATOM 88 OG SER A 7 24.238 24.805 16.165 1.00 0.00 O ATOM 0 H SER A 7 26.778 25.549 19.096 1.00 0.00 H new ATOM 0 HA SER A 7 24.248 24.024 18.787 1.00 0.00 H new ATOM 0 HB2 SER A 7 24.291 26.226 17.639 1.00 0.00 H new ATOM 0 HB3 SER A 7 25.838 25.843 16.911 1.00 0.00 H new ATOM 0 HG SER A 7 24.075 25.475 15.469 1.00 0.00 H new ATOM 94 N SER A 8 27.253 23.342 17.640 1.00 0.00 N ATOM 95 CA SER A 8 28.201 22.311 17.200 1.00 0.00 C ATOM 96 C SER A 8 29.591 22.581 17.793 1.00 0.00 C ATOM 97 O SER A 8 29.794 23.572 18.493 1.00 0.00 O ATOM 98 CB SER A 8 28.257 22.283 15.668 1.00 0.00 C ATOM 99 OG SER A 8 28.923 21.125 15.201 1.00 0.00 O ATOM 0 H SER A 8 27.709 24.243 17.783 1.00 0.00 H new ATOM 0 HA SER A 8 27.865 21.337 17.555 1.00 0.00 H new ATOM 0 HB2 SER A 8 27.245 22.311 15.264 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.771 23.173 15.304 1.00 0.00 H new ATOM 0 HG SER A 8 28.943 21.132 14.221 1.00 0.00 H new ATOM 105 N ASN A 9 30.570 21.721 17.509 1.00 0.00 N ATOM 106 CA ASN A 9 31.925 21.792 18.078 1.00 0.00 C ATOM 107 C ASN A 9 32.609 23.143 17.823 1.00 0.00 C ATOM 108 O ASN A 9 33.115 23.774 18.748 1.00 0.00 O ATOM 109 CB ASN A 9 32.787 20.646 17.522 1.00 0.00 C ATOM 110 CG ASN A 9 32.257 19.277 17.896 1.00 0.00 C ATOM 111 OD1 ASN A 9 31.616 18.601 17.111 1.00 0.00 O ATOM 112 ND2 ASN A 9 32.508 18.837 19.104 1.00 0.00 N ATOM 0 H ASN A 9 30.445 20.939 16.866 1.00 0.00 H new ATOM 0 HA ASN A 9 31.825 21.690 19.159 1.00 0.00 H new ATOM 0 HB2 ASN A 9 32.835 20.728 16.436 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.806 20.750 17.895 1.00 0.00 H new ATOM 0 HD21 ASN A 9 32.166 17.921 19.394 1.00 0.00 H new ATOM 0 HD22 ASN A 9 33.046 19.410 19.754 1.00 0.00 H new ATOM 119 N SER A 10 32.619 23.594 16.566 1.00 0.00 N ATOM 120 CA SER A 10 33.320 24.813 16.149 1.00 0.00 C ATOM 121 C SER A 10 32.668 26.121 16.618 1.00 0.00 C ATOM 122 O SER A 10 33.224 27.192 16.390 1.00 0.00 O ATOM 123 CB SER A 10 33.557 24.826 14.636 1.00 0.00 C ATOM 124 OG SER A 10 34.235 23.661 14.199 1.00 0.00 O ATOM 0 H SER A 10 32.137 23.120 15.802 1.00 0.00 H new ATOM 0 HA SER A 10 34.282 24.775 16.661 1.00 0.00 H new ATOM 0 HB2 SER A 10 32.601 24.905 14.119 1.00 0.00 H new ATOM 0 HB3 SER A 10 34.139 25.708 14.367 1.00 0.00 H new ATOM 0 HG SER A 10 34.367 23.704 13.229 1.00 0.00 H new ATOM 130 N ASP A 11 31.540 26.056 17.327 1.00 0.00 N ATOM 131 CA ASP A 11 30.867 27.213 17.935 1.00 0.00 C ATOM 132 C ASP A 11 31.628 27.775 19.163 1.00 0.00 C ATOM 133 O ASP A 11 31.271 28.835 19.671 1.00 0.00 O ATOM 134 CB ASP A 11 29.431 26.789 18.329 1.00 0.00 C ATOM 135 CG ASP A 11 28.352 27.861 18.136 1.00 0.00 C ATOM 136 OD1 ASP A 11 28.570 28.860 17.416 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.206 27.620 18.594 1.00 0.00 O ATOM 0 H ASP A 11 31.054 25.176 17.501 1.00 0.00 H new ATOM 0 HA ASP A 11 30.842 28.020 17.203 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.156 25.912 17.744 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.434 26.486 19.376 1.00 0.00 H new ATOM 142 N CYS A 12 32.698 27.101 19.623 1.00 0.00 N ATOM 143 CA CYS A 12 33.451 27.436 20.849 1.00 0.00 C ATOM 144 C CYS A 12 34.977 27.361 20.678 1.00 0.00 C ATOM 145 O CYS A 12 35.739 27.779 21.552 1.00 0.00 O ATOM 146 CB CYS A 12 33.032 26.451 21.949 1.00 0.00 C ATOM 147 SG CYS A 12 31.253 26.343 22.246 1.00 0.00 S ATOM 0 H CYS A 12 33.074 26.285 19.140 1.00 0.00 H new ATOM 0 HA CYS A 12 33.215 28.470 21.102 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.402 25.460 21.687 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.523 26.739 22.879 1.00 0.00 H new ATOM 152 N ILE A 13 35.419 26.833 19.538 1.00 0.00 N ATOM 153 CA ILE A 13 36.790 26.688 19.104 1.00 0.00 C ATOM 154 C ILE A 13 37.385 28.087 18.889 1.00 0.00 C ATOM 155 O ILE A 13 36.713 29.009 18.425 1.00 0.00 O ATOM 156 CB ILE A 13 36.708 25.841 17.832 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.505 24.379 18.269 1.00 0.00 C ATOM 158 CG2 ILE A 13 37.963 25.948 17.008 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.571 23.335 17.158 1.00 0.00 C ATOM 0 H ILE A 13 34.767 26.469 18.844 1.00 0.00 H new ATOM 0 HA ILE A 13 37.448 26.198 19.822 1.00 0.00 H new ATOM 0 HB ILE A 13 35.884 26.196 17.213 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.261 24.135 19.015 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.535 24.298 18.760 1.00 0.00 H new ATOM 0 HG21 ILE A 13 37.865 25.332 16.114 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.120 26.987 16.718 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.814 25.602 17.595 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.414 22.343 17.581 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.797 23.541 16.419 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.549 23.375 16.679 1.00 0.00 H new ATOM 171 N GLY A 14 38.672 28.239 19.184 1.00 0.00 N ATOM 172 CA GLY A 14 39.447 29.463 18.950 1.00 0.00 C ATOM 173 C GLY A 14 39.171 30.603 19.937 1.00 0.00 C ATOM 174 O GLY A 14 40.120 31.199 20.439 1.00 0.00 O ATOM 0 H GLY A 14 39.226 27.494 19.606 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.508 29.217 18.990 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.240 29.819 17.941 1.00 0.00 H new ATOM 178 N ILE A 15 37.901 30.876 20.269 1.00 0.00 N ATOM 179 CA ILE A 15 37.494 31.873 21.286 1.00 0.00 C ATOM 180 C ILE A 15 37.986 31.491 22.685 1.00 0.00 C ATOM 181 O ILE A 15 38.059 32.302 23.607 1.00 0.00 O ATOM 182 CB ILE A 15 35.980 32.190 21.207 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.962 31.080 21.544 1.00 0.00 C ATOM 184 CG2 ILE A 15 35.676 32.606 19.765 1.00 0.00 C ATOM 185 CD1 ILE A 15 35.011 30.588 22.988 1.00 0.00 C ATOM 0 H ILE A 15 37.108 30.404 19.833 1.00 0.00 H new ATOM 0 HA ILE A 15 37.994 32.814 21.055 1.00 0.00 H new ATOM 0 HB ILE A 15 35.842 32.943 21.983 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.958 31.450 21.334 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.135 30.233 20.880 1.00 0.00 H new ATOM 0 HG21 ILE A 15 34.615 32.838 19.669 1.00 0.00 H new ATOM 0 HG22 ILE A 15 36.265 33.487 19.509 1.00 0.00 H new ATOM 0 HG23 ILE A 15 35.931 31.790 19.089 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.262 29.810 23.133 1.00 0.00 H new ATOM 0 HD12 ILE A 15 36.000 30.183 23.201 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.806 31.419 23.663 1.00 0.00 H new ATOM 197 N THR A 16 38.312 30.215 22.845 1.00 0.00 N ATOM 198 CA THR A 16 38.912 29.529 23.968 1.00 0.00 C ATOM 199 C THR A 16 39.506 28.211 23.436 1.00 0.00 C ATOM 200 O THR A 16 39.141 27.741 22.358 1.00 0.00 O ATOM 201 CB THR A 16 37.803 29.258 24.989 1.00 0.00 C ATOM 202 OG1 THR A 16 37.321 30.467 25.540 1.00 0.00 O ATOM 203 CG2 THR A 16 38.277 28.406 26.140 1.00 0.00 C ATOM 0 H THR A 16 38.136 29.557 22.086 1.00 0.00 H new ATOM 0 HA THR A 16 39.700 30.113 24.444 1.00 0.00 H new ATOM 0 HB THR A 16 37.020 28.733 24.443 1.00 0.00 H new ATOM 0 HG1 THR A 16 37.651 31.222 25.010 1.00 0.00 H new ATOM 0 HG21 THR A 16 37.454 28.243 26.835 1.00 0.00 H new ATOM 0 HG22 THR A 16 38.628 27.446 25.762 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.093 28.913 26.656 1.00 0.00 H new ATOM 211 N LEU A 17 40.411 27.588 24.192 1.00 0.00 N ATOM 212 CA LEU A 17 41.006 26.267 23.940 1.00 0.00 C ATOM 213 C LEU A 17 39.970 25.154 24.240 1.00 0.00 C ATOM 214 O LEU A 17 40.217 24.259 25.043 1.00 0.00 O ATOM 215 CB LEU A 17 42.262 26.123 24.835 1.00 0.00 C ATOM 216 CG LEU A 17 43.216 27.315 24.885 1.00 0.00 C ATOM 217 CD1 LEU A 17 44.318 26.892 25.838 1.00 0.00 C ATOM 218 CD2 LEU A 17 43.775 27.617 23.505 1.00 0.00 C ATOM 0 H LEU A 17 40.772 28.013 25.046 1.00 0.00 H new ATOM 0 HA LEU A 17 41.297 26.170 22.894 1.00 0.00 H new ATOM 0 HB2 LEU A 17 41.931 25.910 25.852 1.00 0.00 H new ATOM 0 HB3 LEU A 17 42.824 25.253 24.494 1.00 0.00 H new ATOM 0 HG LEU A 17 42.718 28.226 25.216 1.00 0.00 H new ATOM 0 HD11 LEU A 17 45.048 27.696 25.930 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.890 26.677 26.817 1.00 0.00 H new ATOM 0 HD13 LEU A 17 44.809 25.998 25.453 1.00 0.00 H new ATOM 0 HD21 LEU A 17 44.452 28.469 23.565 1.00 0.00 H new ATOM 0 HD22 LEU A 17 44.318 26.748 23.134 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.957 27.851 22.824 1.00 0.00 H new ATOM 230 N CYS A 18 38.783 25.222 23.632 1.00 0.00 N ATOM 231 CA CYS A 18 37.649 24.344 23.910 1.00 0.00 C ATOM 232 C CYS A 18 36.919 23.962 22.618 1.00 0.00 C ATOM 233 O CYS A 18 36.740 24.788 21.731 1.00 0.00 O ATOM 234 CB CYS A 18 36.724 25.125 24.857 1.00 0.00 C ATOM 235 SG CYS A 18 35.394 24.190 25.635 1.00 0.00 S ATOM 0 H CYS A 18 38.581 25.913 22.910 1.00 0.00 H new ATOM 0 HA CYS A 18 37.977 23.409 24.364 1.00 0.00 H new ATOM 0 HB2 CYS A 18 37.336 25.567 25.644 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.280 25.949 24.298 1.00 0.00 H new ATOM 0 HG CYS A 18 34.702 24.977 26.404 1.00 0.00 H new ATOM 240 N GLN A 19 36.504 22.703 22.494 1.00 0.00 N ATOM 241 CA GLN A 19 35.872 22.143 21.297 1.00 0.00 C ATOM 242 C GLN A 19 34.729 21.146 21.584 1.00 0.00 C ATOM 243 O GLN A 19 34.034 20.705 20.665 1.00 0.00 O ATOM 244 CB GLN A 19 36.959 21.449 20.465 1.00 0.00 C ATOM 245 CG GLN A 19 38.172 20.851 21.177 1.00 0.00 C ATOM 246 CD GLN A 19 39.062 20.189 20.129 1.00 0.00 C ATOM 247 OE1 GLN A 19 38.938 19.008 19.837 1.00 0.00 O ATOM 248 NE2 GLN A 19 39.916 20.930 19.452 1.00 0.00 N ATOM 0 H GLN A 19 36.601 22.021 23.247 1.00 0.00 H new ATOM 0 HA GLN A 19 35.409 22.973 20.763 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.480 20.648 19.902 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.328 22.172 19.738 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.723 21.628 21.707 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.854 20.121 21.921 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.031 21.917 19.684 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.462 20.517 18.696 1.00 0.00 H new ATOM 257 N PHE A 20 34.497 20.782 22.847 1.00 0.00 N ATOM 258 CA PHE A 20 33.548 19.732 23.225 1.00 0.00 C ATOM 259 C PHE A 20 32.114 20.210 23.495 1.00 0.00 C ATOM 260 O PHE A 20 31.595 20.134 24.609 1.00 0.00 O ATOM 261 CB PHE A 20 34.195 18.880 24.329 1.00 0.00 C ATOM 262 CG PHE A 20 35.552 18.340 23.903 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.650 17.441 22.832 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.739 18.757 24.535 1.00 0.00 C ATOM 265 CE1 PHE A 20 36.909 16.999 22.388 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.990 18.282 24.119 1.00 0.00 C ATOM 267 CZ PHE A 20 38.088 17.408 23.022 1.00 0.00 C ATOM 0 H PHE A 20 34.967 21.212 23.644 1.00 0.00 H new ATOM 0 HA PHE A 20 33.365 19.090 22.363 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.310 19.480 25.231 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.536 18.049 24.581 1.00 0.00 H new ATOM 0 HD1 PHE A 20 34.754 17.086 22.345 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.684 19.456 25.356 1.00 0.00 H new ATOM 0 HE1 PHE A 20 36.967 16.331 21.541 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.883 18.589 24.643 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.050 17.060 22.677 1.00 0.00 H new ATOM 277 N CYS A 21 31.461 20.697 22.433 1.00 0.00 N ATOM 278 CA CYS A 21 30.042 21.065 22.476 1.00 0.00 C ATOM 279 C CYS A 21 29.250 19.787 22.794 1.00 0.00 C ATOM 280 O CYS A 21 29.288 18.832 22.012 1.00 0.00 O ATOM 281 CB CYS A 21 29.594 21.696 21.151 1.00 0.00 C ATOM 282 SG CYS A 21 27.821 22.084 21.083 1.00 0.00 S ATOM 0 H CYS A 21 31.899 20.846 21.524 1.00 0.00 H new ATOM 0 HA CYS A 21 29.863 21.817 23.244 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.163 22.611 20.985 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.839 21.016 20.335 1.00 0.00 H new ATOM 287 N LYS A 22 28.595 19.739 23.961 1.00 0.00 N ATOM 288 CA LYS A 22 27.902 18.552 24.471 1.00 0.00 C ATOM 289 C LYS A 22 26.422 18.740 24.693 1.00 0.00 C ATOM 290 O LYS A 22 25.964 19.830 25.021 1.00 0.00 O ATOM 291 CB LYS A 22 28.567 18.152 25.800 1.00 0.00 C ATOM 292 CG LYS A 22 29.734 17.220 25.544 1.00 0.00 C ATOM 293 CD LYS A 22 29.266 15.785 25.271 1.00 0.00 C ATOM 294 CE LYS A 22 30.536 14.985 24.965 1.00 0.00 C ATOM 295 NZ LYS A 22 30.333 13.523 24.931 1.00 0.00 N ATOM 0 H LYS A 22 28.532 20.541 24.588 1.00 0.00 H new ATOM 0 HA LYS A 22 27.990 17.777 23.709 1.00 0.00 H new ATOM 0 HB2 LYS A 22 28.912 19.043 26.324 1.00 0.00 H new ATOM 0 HB3 LYS A 22 27.838 17.664 26.447 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.309 17.583 24.692 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.401 17.227 26.406 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.742 15.373 26.134 1.00 0.00 H new ATOM 0 HD3 LYS A 22 28.571 15.753 24.432 1.00 0.00 H new ATOM 0 HE2 LYS A 22 30.933 15.308 24.003 1.00 0.00 H new ATOM 0 HE3 LYS A 22 31.290 15.219 25.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.236 13.052 24.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 29.983 13.200 25.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 29.637 13.286 24.195 1.00 0.00 H new ATOM 309 N GLU A 23 25.706 17.623 24.613 1.00 0.00 N ATOM 310 CA GLU A 23 24.285 17.556 24.908 1.00 0.00 C ATOM 311 C GLU A 23 24.048 16.826 26.236 1.00 0.00 C ATOM 312 O GLU A 23 24.282 15.624 26.344 1.00 0.00 O ATOM 313 CB GLU A 23 23.480 17.011 23.707 1.00 0.00 C ATOM 314 CG GLU A 23 22.300 17.932 23.420 1.00 0.00 C ATOM 315 CD GLU A 23 21.443 17.486 22.221 1.00 0.00 C ATOM 316 OE1 GLU A 23 20.782 16.427 22.298 1.00 0.00 O ATOM 317 OE2 GLU A 23 21.432 18.211 21.197 1.00 0.00 O ATOM 0 H GLU A 23 26.106 16.726 24.337 1.00 0.00 H new ATOM 0 HA GLU A 23 23.896 18.563 25.055 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.121 16.941 22.828 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.124 16.004 23.923 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.668 17.985 24.307 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.674 18.939 23.234 1.00 0.00 H new ATOM 324 N LYS A 24 23.671 17.587 27.267 1.00 0.00 N ATOM 325 CA LYS A 24 23.365 17.126 28.634 1.00 0.00 C ATOM 326 C LYS A 24 22.100 17.794 29.143 1.00 0.00 C ATOM 327 O LYS A 24 21.593 18.710 28.505 1.00 0.00 O ATOM 328 CB LYS A 24 24.586 17.341 29.563 1.00 0.00 C ATOM 329 CG LYS A 24 24.827 18.791 30.052 1.00 0.00 C ATOM 330 CD LYS A 24 25.918 18.945 31.141 1.00 0.00 C ATOM 331 CE LYS A 24 27.362 18.958 30.606 1.00 0.00 C ATOM 332 NZ LYS A 24 28.381 19.183 31.677 1.00 0.00 N ATOM 0 H LYS A 24 23.564 18.597 27.171 1.00 0.00 H new ATOM 0 HA LYS A 24 23.169 16.054 28.624 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.469 16.700 30.437 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.480 17.004 29.038 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.102 19.406 29.195 1.00 0.00 H new ATOM 0 HG3 LYS A 24 23.889 19.187 30.441 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.739 19.871 31.687 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.817 18.128 31.856 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.568 18.010 30.110 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.457 19.739 29.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.317 19.317 31.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.128 20.031 32.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.408 18.358 32.310 1.00 0.00 H new ATOM 346 N THR A 25 21.604 17.351 30.292 1.00 0.00 N ATOM 347 CA THR A 25 20.415 17.935 30.925 1.00 0.00 C ATOM 348 C THR A 25 20.671 18.415 32.339 1.00 0.00 C ATOM 349 O THR A 25 21.652 18.066 32.992 1.00 0.00 O ATOM 350 CB THR A 25 19.169 17.037 30.828 1.00 0.00 C ATOM 351 OG1 THR A 25 18.058 17.491 31.575 1.00 0.00 O ATOM 352 CG2 THR A 25 19.352 15.719 31.480 1.00 0.00 C ATOM 0 H THR A 25 22.011 16.576 30.816 1.00 0.00 H new ATOM 0 HA THR A 25 20.189 18.825 30.337 1.00 0.00 H new ATOM 0 HB THR A 25 19.015 17.021 29.749 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.239 17.378 32.532 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.439 15.132 31.378 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.178 15.190 31.005 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.573 15.864 32.537 1.00 0.00 H new ATOM 360 N ASP A 26 19.724 19.227 32.778 1.00 0.00 N ATOM 361 CA ASP A 26 19.588 19.757 34.113 1.00 0.00 C ATOM 362 C ASP A 26 18.724 18.733 34.878 1.00 0.00 C ATOM 363 O ASP A 26 18.259 17.721 34.337 1.00 0.00 O ATOM 364 CB ASP A 26 18.965 21.175 34.100 1.00 0.00 C ATOM 365 CG ASP A 26 19.431 21.973 35.317 1.00 0.00 C ATOM 366 OD1 ASP A 26 20.478 22.656 35.232 1.00 0.00 O ATOM 367 OD2 ASP A 26 18.799 21.800 36.379 1.00 0.00 O ATOM 0 H ASP A 26 18.979 19.553 32.162 1.00 0.00 H new ATOM 0 HA ASP A 26 20.554 19.886 34.600 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.249 21.696 33.185 1.00 0.00 H new ATOM 0 HB3 ASP A 26 17.877 21.101 34.100 1.00 0.00 H new ATOM 372 N GLN A 27 18.415 19.038 36.126 1.00 0.00 N ATOM 373 CA GLN A 27 17.674 18.168 37.062 1.00 0.00 C ATOM 374 C GLN A 27 16.200 17.944 36.669 1.00 0.00 C ATOM 375 O GLN A 27 15.463 17.225 37.336 1.00 0.00 O ATOM 376 CB GLN A 27 17.782 18.792 38.465 1.00 0.00 C ATOM 377 CG GLN A 27 16.935 20.069 38.580 1.00 0.00 C ATOM 378 CD GLN A 27 17.525 21.090 39.552 1.00 0.00 C ATOM 379 OE1 GLN A 27 17.368 21.010 40.762 1.00 0.00 O ATOM 380 NE2 GLN A 27 18.217 22.090 39.055 1.00 0.00 N ATOM 0 H GLN A 27 18.677 19.930 36.545 1.00 0.00 H new ATOM 0 HA GLN A 27 18.123 17.175 37.035 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.455 18.069 39.212 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.825 19.025 38.682 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.840 20.526 37.595 1.00 0.00 H new ATOM 0 HG3 GLN A 27 15.929 19.804 38.906 1.00 0.00 H new ATOM 0 HE21 GLN A 27 18.353 22.165 38.047 1.00 0.00 H new ATOM 0 HE22 GLN A 27 18.618 22.792 39.677 1.00 0.00 H new ATOM 389 N TYR A 28 15.774 18.593 35.590 1.00 0.00 N ATOM 390 CA TYR A 28 14.425 18.656 35.041 1.00 0.00 C ATOM 391 C TYR A 28 14.191 17.652 33.897 1.00 0.00 C ATOM 392 O TYR A 28 13.043 17.361 33.562 1.00 0.00 O ATOM 393 CB TYR A 28 14.264 20.065 34.456 1.00 0.00 C ATOM 394 CG TYR A 28 14.573 21.245 35.359 1.00 0.00 C ATOM 395 CD1 TYR A 28 14.190 21.266 36.711 1.00 0.00 C ATOM 396 CD2 TYR A 28 15.326 22.313 34.821 1.00 0.00 C ATOM 397 CE1 TYR A 28 14.613 22.330 37.540 1.00 0.00 C ATOM 398 CE2 TYR A 28 15.748 23.364 35.640 1.00 0.00 C ATOM 399 CZ TYR A 28 15.417 23.359 37.015 1.00 0.00 C ATOM 400 OH TYR A 28 15.909 24.322 37.833 1.00 0.00 O ATOM 0 H TYR A 28 16.426 19.139 35.026 1.00 0.00 H new ATOM 0 HA TYR A 28 13.716 18.419 35.834 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.905 20.138 33.578 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.236 20.168 34.110 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.576 20.474 37.114 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.577 22.317 33.771 1.00 0.00 H new ATOM 0 HE1 TYR A 28 14.318 22.353 38.579 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.325 24.177 35.224 1.00 0.00 H new ATOM 0 HH TYR A 28 16.444 24.954 37.309 1.00 0.00 H new ATOM 410 N GLY A 29 15.275 17.151 33.287 1.00 0.00 N ATOM 411 CA GLY A 29 15.237 16.262 32.113 1.00 0.00 C ATOM 412 C GLY A 29 15.233 16.981 30.756 1.00 0.00 C ATOM 413 O GLY A 29 14.998 16.350 29.727 1.00 0.00 O ATOM 0 H GLY A 29 16.223 17.356 33.601 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.099 15.596 32.152 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.347 15.636 32.178 1.00 0.00 H new ATOM 417 N LEU A 30 15.487 18.293 30.750 1.00 0.00 N ATOM 418 CA LEU A 30 15.650 19.120 29.560 1.00 0.00 C ATOM 419 C LEU A 30 17.070 18.962 29.080 1.00 0.00 C ATOM 420 O LEU A 30 18.005 19.496 29.667 1.00 0.00 O ATOM 421 CB LEU A 30 15.574 20.603 29.869 1.00 0.00 C ATOM 422 CG LEU A 30 14.207 21.243 29.950 1.00 0.00 C ATOM 423 CD1 LEU A 30 13.559 20.617 31.137 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.522 22.681 30.276 1.00 0.00 C ATOM 0 H LEU A 30 15.588 18.826 31.613 1.00 0.00 H new ATOM 0 HA LEU A 30 14.872 18.815 28.860 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.078 20.772 30.820 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.146 21.132 29.107 1.00 0.00 H new ATOM 0 HG LEU A 30 13.580 21.141 29.064 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.558 21.030 31.265 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.491 19.539 30.988 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.153 20.823 32.027 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.594 23.247 30.360 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.063 22.730 31.221 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.137 23.107 29.483 1.00 0.00 H new ATOM 436 N THR A 31 17.214 18.315 27.959 1.00 0.00 N ATOM 437 CA THR A 31 18.493 18.182 27.322 1.00 0.00 C ATOM 438 C THR A 31 18.722 19.445 26.493 1.00 0.00 C ATOM 439 O THR A 31 17.862 19.881 25.723 1.00 0.00 O ATOM 440 CB THR A 31 18.577 16.915 26.489 1.00 0.00 C ATOM 441 OG1 THR A 31 18.696 15.796 27.332 1.00 0.00 O ATOM 442 CG2 THR A 31 19.834 17.028 25.676 1.00 0.00 C ATOM 0 H THR A 31 16.447 17.864 27.460 1.00 0.00 H new ATOM 0 HA THR A 31 19.283 18.084 28.067 1.00 0.00 H new ATOM 0 HB THR A 31 17.689 16.798 25.868 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.748 14.982 26.789 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.946 16.140 25.054 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.778 17.911 25.040 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.692 17.115 26.343 1.00 0.00 H new ATOM 450 N TYR A 32 19.908 20.021 26.635 1.00 0.00 N ATOM 451 CA TYR A 32 20.359 21.231 25.972 1.00 0.00 C ATOM 452 C TYR A 32 21.825 21.100 25.516 1.00 0.00 C ATOM 453 O TYR A 32 22.592 20.274 26.024 1.00 0.00 O ATOM 454 CB TYR A 32 20.125 22.406 26.933 1.00 0.00 C ATOM 455 CG TYR A 32 20.471 22.116 28.380 1.00 0.00 C ATOM 456 CD1 TYR A 32 21.811 21.903 28.706 1.00 0.00 C ATOM 457 CD2 TYR A 32 19.490 21.951 29.377 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.203 21.748 30.045 1.00 0.00 C ATOM 459 CE2 TYR A 32 19.836 21.648 30.697 1.00 0.00 C ATOM 460 CZ TYR A 32 21.214 21.637 31.052 1.00 0.00 C ATOM 461 OH TYR A 32 21.620 21.467 32.334 1.00 0.00 O ATOM 0 H TYR A 32 20.620 19.631 27.252 1.00 0.00 H new ATOM 0 HA TYR A 32 19.792 21.409 25.058 1.00 0.00 H new ATOM 0 HB2 TYR A 32 20.716 23.258 26.595 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.078 22.702 26.876 1.00 0.00 H new ATOM 0 HD1 TYR A 32 22.552 21.857 27.922 1.00 0.00 H new ATOM 0 HD2 TYR A 32 18.448 22.061 29.116 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.251 21.714 30.305 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.075 21.427 31.431 1.00 0.00 H new ATOM 0 HH TYR A 32 21.432 22.281 32.847 1.00 0.00 H new ATOM 471 N ARG A 33 22.236 21.932 24.553 1.00 0.00 N ATOM 472 CA ARG A 33 23.615 21.992 24.047 1.00 0.00 C ATOM 473 C ARG A 33 24.441 23.033 24.784 1.00 0.00 C ATOM 474 O ARG A 33 24.185 24.232 24.699 1.00 0.00 O ATOM 475 CB ARG A 33 23.643 22.291 22.551 1.00 0.00 C ATOM 476 CG ARG A 33 23.190 21.086 21.753 1.00 0.00 C ATOM 477 CD ARG A 33 23.141 21.394 20.262 1.00 0.00 C ATOM 478 NE ARG A 33 22.392 20.293 19.672 1.00 0.00 N ATOM 479 CZ ARG A 33 22.645 19.569 18.608 1.00 0.00 C ATOM 480 NH1 ARG A 33 23.477 19.918 17.668 1.00 0.00 N ATOM 481 NH2 ARG A 33 22.055 18.421 18.517 1.00 0.00 N ATOM 0 H ARG A 33 21.611 22.594 24.094 1.00 0.00 H new ATOM 0 HA ARG A 33 24.054 21.010 24.224 1.00 0.00 H new ATOM 0 HB2 ARG A 33 22.996 23.141 22.333 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.652 22.573 22.251 1.00 0.00 H new ATOM 0 HG2 ARG A 33 23.870 20.253 21.932 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.204 20.772 22.094 1.00 0.00 H new ATOM 0 HD2 ARG A 33 22.652 22.350 20.073 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.144 21.460 19.840 1.00 0.00 H new ATOM 0 HE ARG A 33 21.534 20.046 20.165 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.979 20.804 17.734 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.627 19.306 16.866 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.423 18.113 19.256 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.222 17.824 17.707 1.00 0.00 H new ATOM 495 N THR A 34 25.435 22.558 25.516 1.00 0.00 N ATOM 496 CA THR A 34 26.305 23.360 26.376 1.00 0.00 C ATOM 497 C THR A 34 27.759 23.014 26.120 1.00 0.00 C ATOM 498 O THR A 34 28.132 21.851 25.947 1.00 0.00 O ATOM 499 CB THR A 34 25.918 23.216 27.852 1.00 0.00 C ATOM 500 OG1 THR A 34 25.736 21.871 28.235 1.00 0.00 O ATOM 501 CG2 THR A 34 24.599 23.960 28.062 1.00 0.00 C ATOM 0 H THR A 34 25.671 21.566 25.532 1.00 0.00 H new ATOM 0 HA THR A 34 26.170 24.412 26.127 1.00 0.00 H new ATOM 0 HB THR A 34 26.727 23.624 28.458 1.00 0.00 H new ATOM 0 HG1 THR A 34 25.492 21.831 29.183 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.296 23.876 29.106 1.00 0.00 H new ATOM 0 HG22 THR A 34 24.729 25.011 27.806 1.00 0.00 H new ATOM 0 HG23 THR A 34 23.830 23.524 27.425 1.00 0.00 H new ATOM 509 N CYS A 35 28.593 24.047 26.038 1.00 0.00 N ATOM 510 CA CYS A 35 29.994 23.865 25.671 1.00 0.00 C ATOM 511 C CYS A 35 30.837 23.392 26.860 1.00 0.00 C ATOM 512 O CYS A 35 31.330 24.181 27.661 1.00 0.00 O ATOM 513 CB CYS A 35 30.520 25.095 24.921 1.00 0.00 C ATOM 514 SG CYS A 35 31.088 24.609 23.280 1.00 0.00 S ATOM 0 H CYS A 35 28.325 25.014 26.220 1.00 0.00 H new ATOM 0 HA CYS A 35 30.082 23.046 24.957 1.00 0.00 H new ATOM 0 HB2 CYS A 35 29.734 25.845 24.837 1.00 0.00 H new ATOM 0 HB3 CYS A 35 31.338 25.551 25.479 1.00 0.00 H new ATOM 519 N ASN A 36 30.924 22.070 27.013 1.00 0.00 N ATOM 520 CA ASN A 36 31.691 21.408 28.056 1.00 0.00 C ATOM 521 C ASN A 36 33.197 21.496 27.752 1.00 0.00 C ATOM 522 O ASN A 36 33.612 21.484 26.595 1.00 0.00 O ATOM 523 CB ASN A 36 31.225 19.940 28.148 1.00 0.00 C ATOM 524 CG ASN A 36 31.608 19.310 29.472 1.00 0.00 C ATOM 525 OD1 ASN A 36 30.946 19.505 30.481 1.00 0.00 O ATOM 526 ND2 ASN A 36 32.673 18.546 29.519 1.00 0.00 N ATOM 0 H ASN A 36 30.447 21.415 26.393 1.00 0.00 H new ATOM 0 HA ASN A 36 31.524 21.900 29.014 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.143 19.894 28.023 1.00 0.00 H new ATOM 0 HB3 ASN A 36 31.665 19.367 27.332 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.951 18.112 30.399 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.223 18.385 28.675 1.00 0.00 H new ATOM 533 N LEU A 37 34.039 21.542 28.788 1.00 0.00 N ATOM 534 CA LEU A 37 35.490 21.575 28.635 1.00 0.00 C ATOM 535 C LEU A 37 36.083 20.292 28.021 1.00 0.00 C ATOM 536 O LEU A 37 37.128 20.395 27.389 1.00 0.00 O ATOM 537 CB LEU A 37 36.092 21.897 30.000 1.00 0.00 C ATOM 538 CG LEU A 37 36.545 23.347 30.092 1.00 0.00 C ATOM 539 CD1 LEU A 37 35.319 24.202 30.310 1.00 0.00 C ATOM 540 CD2 LEU A 37 37.426 23.400 31.315 1.00 0.00 C ATOM 0 H LEU A 37 33.729 21.557 29.760 1.00 0.00 H new ATOM 0 HA LEU A 37 35.748 22.349 27.913 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.355 21.697 30.778 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.941 21.239 30.187 1.00 0.00 H new ATOM 0 HG LEU A 37 37.068 23.697 29.202 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.613 25.249 30.380 1.00 0.00 H new ATOM 0 HD12 LEU A 37 34.632 24.073 29.473 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.825 23.901 31.234 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.796 24.416 31.453 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.851 23.101 32.191 1.00 0.00 H new ATOM 0 HD23 LEU A 37 38.269 22.721 31.186 1.00 0.00 H new ATOM 552 N LEU A 38 35.431 19.121 28.180 1.00 0.00 N ATOM 553 CA LEU A 38 35.868 17.766 27.752 1.00 0.00 C ATOM 554 C LEU A 38 34.747 16.970 27.036 1.00 0.00 C ATOM 555 O LEU A 38 33.566 17.294 27.193 1.00 0.00 O ATOM 556 CB LEU A 38 36.296 16.928 28.996 1.00 0.00 C ATOM 557 CG LEU A 38 37.715 16.953 29.533 1.00 0.00 C ATOM 558 CD1 LEU A 38 38.616 16.218 28.583 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.109 18.387 29.640 1.00 0.00 C ATOM 0 H LEU A 38 34.522 19.090 28.642 1.00 0.00 H new ATOM 0 HA LEU A 38 36.694 17.921 27.058 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.644 17.228 29.816 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.064 15.887 28.769 1.00 0.00 H new ATOM 0 HG LEU A 38 37.790 16.468 30.506 1.00 0.00 H new ATOM 0 HD11 LEU A 38 39.637 16.233 28.964 1.00 0.00 H new ATOM 0 HD12 LEU A 38 38.280 15.186 28.488 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.586 16.701 27.606 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.127 18.457 30.024 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.059 18.852 28.656 1.00 0.00 H new ATOM 0 HD23 LEU A 38 37.429 18.901 30.319 1.00 0.00 H new ATOM 571 N PRO A 39 35.091 15.925 26.268 1.00 0.00 N ATOM 572 CA PRO A 39 34.140 15.010 25.647 1.00 0.00 C ATOM 573 C PRO A 39 33.659 13.918 26.645 1.00 0.00 C ATOM 574 O PRO A 39 34.282 13.692 27.712 1.00 0.00 O ATOM 575 CB PRO A 39 34.933 14.411 24.485 1.00 0.00 C ATOM 576 CG PRO A 39 36.355 14.318 25.031 1.00 0.00 C ATOM 577 CD PRO A 39 36.450 15.540 25.941 1.00 0.00 C ATOM 0 HA PRO A 39 33.225 15.505 25.321 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.548 13.432 24.200 1.00 0.00 H new ATOM 0 HB3 PRO A 39 34.885 15.043 23.598 1.00 0.00 H new ATOM 0 HG2 PRO A 39 36.517 13.391 25.581 1.00 0.00 H new ATOM 0 HG3 PRO A 39 37.097 14.349 24.233 1.00 0.00 H new ATOM 0 HD2 PRO A 39 37.014 15.307 26.844 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.973 16.355 25.441 1.00 0.00 H new