USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 494 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 28 THR OG1 : rot 8:sc= -0.464 USER MOD Set 1.2: A 30 LYS NZ :NH3+ 156:sc= 1.12 (180deg=-0.441) USER MOD Single : A 5 THR OG1 : rot -39:sc= -0.311 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc=-0.00335 (180deg=-0.211) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc=-0.000856 (180deg=-0.131) USER MOD Single : A 26 CYS SG : rot 9:sc= 0.0267 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 83:sc= 1.12 USER MOD Single : A 36 MET CE :methyl -157:sc= -0.133 (180deg=-1.67) USER MOD Single : A 38 SER OG : rot 101:sc= 1.31 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.448 F(o=-0.98,f=-0.45) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.804 F(o=-3.7!,f=-0.8) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00266 K(o=-0.0027,f=-1.3) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.86) USER MOD Single : A 60 ASN : amide:sc= -2.61! C(o=-2.6!,f=-17!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0334 K(o=-0.033,f=-1.7!) USER MOD Single : A 72 MET CE :methyl 162:sc= -0.142 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -15.803 -7.316 -5.598 1.00 0.00 N ATOM 62 CA THR A 5 -16.645 -7.647 -4.441 1.00 0.00 C ATOM 63 C THR A 5 -16.269 -6.816 -3.218 1.00 0.00 C ATOM 64 O THR A 5 -15.213 -6.190 -3.178 1.00 0.00 O ATOM 65 CB THR A 5 -16.492 -9.131 -4.099 1.00 0.00 C ATOM 66 OG1 THR A 5 -15.115 -9.477 -4.128 1.00 0.00 O ATOM 67 CG2 THR A 5 -17.254 -9.981 -5.113 1.00 0.00 C ATOM 0 HA THR A 5 -17.678 -7.423 -4.708 1.00 0.00 H new ATOM 0 HB THR A 5 -16.898 -9.316 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.676 -9.012 -4.871 1.00 0.00 H new ATOM 0 HG21 THR A 5 -17.140 -11.036 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.311 -9.715 -5.090 1.00 0.00 H new ATOM 0 HG23 THR A 5 -16.856 -9.800 -6.112 1.00 0.00 H new ATOM 75 N ASP A 6 -17.137 -6.852 -2.209 1.00 0.00 N ATOM 76 CA ASP A 6 -16.892 -6.137 -0.962 1.00 0.00 C ATOM 77 C ASP A 6 -15.758 -6.807 -0.192 1.00 0.00 C ATOM 78 O ASP A 6 -14.932 -6.147 0.434 1.00 0.00 O ATOM 79 CB ASP A 6 -18.153 -6.151 -0.098 1.00 0.00 C ATOM 80 CG ASP A 6 -19.235 -5.286 -0.733 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.915 -4.552 -1.653 1.00 0.00 O ATOM 82 OD2 ASP A 6 -20.370 -5.375 -0.295 1.00 0.00 O ATOM 0 H ASP A 6 -18.016 -7.369 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.618 -5.108 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.514 -7.173 0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.922 -5.782 0.901 1.00 0.00 H new ATOM 87 N GLU A 7 -15.747 -8.129 -0.237 1.00 0.00 N ATOM 88 CA GLU A 7 -14.733 -8.905 0.467 1.00 0.00 C ATOM 89 C GLU A 7 -13.336 -8.531 -0.014 1.00 0.00 C ATOM 90 O GLU A 7 -12.418 -8.372 0.786 1.00 0.00 O ATOM 91 CB GLU A 7 -14.977 -10.399 0.233 1.00 0.00 C ATOM 92 CG GLU A 7 -14.645 -10.747 -1.221 1.00 0.00 C ATOM 93 CD GLU A 7 -15.223 -12.109 -1.583 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.329 -12.392 -1.153 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.555 -12.846 -2.288 1.00 0.00 O ATOM 0 H GLU A 7 -16.427 -8.689 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.802 -8.684 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.360 -10.990 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.016 -10.647 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.049 -9.984 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.564 -10.753 -1.363 1.00 0.00 H new ATOM 102 N GLN A 8 -13.184 -8.388 -1.323 1.00 0.00 N ATOM 103 CA GLN A 8 -11.890 -8.030 -1.885 1.00 0.00 C ATOM 104 C GLN A 8 -11.426 -6.688 -1.328 1.00 0.00 C ATOM 105 O GLN A 8 -10.227 -6.467 -1.106 1.00 0.00 O ATOM 106 CB GLN A 8 -11.996 -7.952 -3.420 1.00 0.00 C ATOM 107 CG GLN A 8 -10.658 -7.517 -4.018 1.00 0.00 C ATOM 108 CD GLN A 8 -10.717 -7.573 -5.544 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.510 -6.865 -6.162 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.916 -8.378 -6.188 1.00 0.00 N ATOM 0 H GLN A 8 -13.930 -8.512 -2.008 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.161 -8.793 -1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.284 -8.923 -3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.776 -7.246 -3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.419 -6.504 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.861 -8.165 -3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.259 -8.964 -5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.947 -8.421 -7.207 1.00 0.00 H new ATOM 119 N ILE A 9 -12.388 -5.821 -1.046 1.00 0.00 N ATOM 120 CA ILE A 9 -12.071 -4.520 -0.475 1.00 0.00 C ATOM 121 C ILE A 9 -11.612 -4.667 0.969 1.00 0.00 C ATOM 122 O ILE A 9 -10.571 -4.137 1.356 1.00 0.00 O ATOM 123 CB ILE A 9 -13.293 -3.610 -0.550 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.716 -3.470 -2.015 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.946 -2.237 0.021 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.040 -2.701 -2.114 1.00 0.00 C ATOM 0 H ILE A 9 -13.382 -5.991 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.259 -4.074 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.110 -4.038 0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.941 -2.948 -2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.826 -4.457 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.820 -1.589 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.637 -2.343 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.132 -1.798 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.330 -2.608 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.815 -3.240 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.917 -1.708 -1.682 1.00 0.00 H new ATOM 138 N SER A 10 -12.402 -5.379 1.766 1.00 0.00 N ATOM 139 CA SER A 10 -12.058 -5.558 3.166 1.00 0.00 C ATOM 140 C SER A 10 -10.661 -6.142 3.278 1.00 0.00 C ATOM 141 O SER A 10 -9.822 -5.615 4.011 1.00 0.00 O ATOM 142 CB SER A 10 -13.056 -6.491 3.847 1.00 0.00 C ATOM 143 OG SER A 10 -12.520 -6.921 5.091 1.00 0.00 O ATOM 0 H SER A 10 -13.267 -5.832 1.472 1.00 0.00 H new ATOM 0 HA SER A 10 -12.091 -4.587 3.660 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.004 -5.977 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.262 -7.351 3.209 1.00 0.00 H new ATOM 0 HG SER A 10 -13.158 -7.519 5.533 1.00 0.00 H new ATOM 149 N GLU A 11 -10.394 -7.216 2.533 1.00 0.00 N ATOM 150 CA GLU A 11 -9.073 -7.825 2.561 1.00 0.00 C ATOM 151 C GLU A 11 -8.013 -6.754 2.411 1.00 0.00 C ATOM 152 O GLU A 11 -7.066 -6.690 3.196 1.00 0.00 O ATOM 153 CB GLU A 11 -8.928 -8.824 1.411 1.00 0.00 C ATOM 154 CG GLU A 11 -9.821 -10.043 1.651 1.00 0.00 C ATOM 155 CD GLU A 11 -9.339 -10.817 2.872 1.00 0.00 C ATOM 156 OE1 GLU A 11 -8.182 -10.661 3.229 1.00 0.00 O ATOM 157 OE2 GLU A 11 -10.133 -11.551 3.434 1.00 0.00 O ATOM 0 H GLU A 11 -11.065 -7.672 1.915 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.949 -8.342 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.198 -8.346 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.888 -9.138 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.853 -9.724 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.809 -10.690 0.774 1.00 0.00 H new ATOM 164 N PHE A 12 -8.189 -5.893 1.412 1.00 0.00 N ATOM 165 CA PHE A 12 -7.244 -4.809 1.201 1.00 0.00 C ATOM 166 C PHE A 12 -7.239 -3.867 2.408 1.00 0.00 C ATOM 167 O PHE A 12 -6.186 -3.496 2.926 1.00 0.00 O ATOM 168 CB PHE A 12 -7.645 -4.021 -0.065 1.00 0.00 C ATOM 169 CG PHE A 12 -7.159 -4.717 -1.327 1.00 0.00 C ATOM 170 CD1 PHE A 12 -5.807 -5.035 -1.474 1.00 0.00 C ATOM 171 CD2 PHE A 12 -8.066 -5.044 -2.349 1.00 0.00 C ATOM 172 CE1 PHE A 12 -5.360 -5.683 -2.623 1.00 0.00 C ATOM 173 CE2 PHE A 12 -7.613 -5.687 -3.508 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.259 -6.010 -3.641 1.00 0.00 C ATOM 0 H PHE A 12 -8.963 -5.925 0.749 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.245 -5.227 1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.729 -3.914 -0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.227 -3.016 -0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.106 -4.778 -0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.112 -4.800 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.315 -5.934 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.308 -5.933 -4.297 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.908 -6.512 -4.531 1.00 0.00 H new ATOM 184 N LYS A 13 -8.435 -3.485 2.828 1.00 0.00 N ATOM 185 CA LYS A 13 -8.615 -2.573 3.953 1.00 0.00 C ATOM 186 C LYS A 13 -8.051 -3.156 5.247 1.00 0.00 C ATOM 187 O LYS A 13 -7.378 -2.458 6.007 1.00 0.00 O ATOM 188 CB LYS A 13 -10.110 -2.306 4.108 1.00 0.00 C ATOM 189 CG LYS A 13 -10.356 -1.037 4.921 1.00 0.00 C ATOM 190 CD LYS A 13 -11.860 -0.745 4.915 1.00 0.00 C ATOM 191 CE LYS A 13 -12.138 0.556 5.664 1.00 0.00 C ATOM 192 NZ LYS A 13 -11.842 0.370 7.113 1.00 0.00 N ATOM 0 H LYS A 13 -9.308 -3.796 2.402 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.074 -1.648 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.570 -2.207 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.586 -3.155 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.998 -1.165 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.805 -0.199 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.221 -0.669 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.401 -1.567 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.525 1.360 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.179 0.850 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.248 1.160 7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.259 -0.525 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.812 0.345 7.257 1.00 0.00 H new ATOM 206 N GLU A 14 -8.318 -4.434 5.494 1.00 0.00 N ATOM 207 CA GLU A 14 -7.816 -5.083 6.699 1.00 0.00 C ATOM 208 C GLU A 14 -6.298 -5.106 6.661 1.00 0.00 C ATOM 209 O GLU A 14 -5.633 -4.833 7.657 1.00 0.00 O ATOM 210 CB GLU A 14 -8.355 -6.516 6.786 1.00 0.00 C ATOM 211 CG GLU A 14 -7.933 -7.154 8.112 1.00 0.00 C ATOM 212 CD GLU A 14 -8.504 -8.565 8.212 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.700 -8.715 8.026 1.00 0.00 O ATOM 214 OE2 GLU A 14 -7.735 -9.477 8.475 1.00 0.00 O ATOM 0 H GLU A 14 -8.872 -5.035 4.884 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.151 -4.527 7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.442 -6.510 6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.977 -7.107 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.846 -7.186 8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.287 -6.549 8.946 1.00 0.00 H new ATOM 221 N ALA A 15 -5.761 -5.417 5.488 1.00 0.00 N ATOM 222 CA ALA A 15 -4.319 -5.462 5.300 1.00 0.00 C ATOM 223 C ALA A 15 -3.706 -4.097 5.591 1.00 0.00 C ATOM 224 O ALA A 15 -2.659 -3.993 6.227 1.00 0.00 O ATOM 225 CB ALA A 15 -4.006 -5.854 3.854 1.00 0.00 C ATOM 0 H ALA A 15 -6.303 -5.642 4.654 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.897 -6.197 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.926 -5.888 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.431 -6.835 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.438 -5.118 3.176 1.00 0.00 H new ATOM 231 N PHE A 16 -4.342 -3.050 5.089 1.00 0.00 N ATOM 232 CA PHE A 16 -3.845 -1.698 5.271 1.00 0.00 C ATOM 233 C PHE A 16 -3.941 -1.204 6.723 1.00 0.00 C ATOM 234 O PHE A 16 -2.969 -0.670 7.257 1.00 0.00 O ATOM 235 CB PHE A 16 -4.623 -0.778 4.340 1.00 0.00 C ATOM 236 CG PHE A 16 -4.221 0.652 4.581 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.779 1.359 5.648 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.287 1.269 3.742 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.405 2.686 5.878 1.00 0.00 C ATOM 240 CE2 PHE A 16 -2.912 2.594 3.970 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.471 3.304 5.039 1.00 0.00 C ATOM 0 H PHE A 16 -5.206 -3.113 4.551 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.782 -1.692 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.431 -1.049 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.693 -0.897 4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.499 0.881 6.295 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.856 0.720 2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.837 3.234 6.703 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.191 3.071 3.322 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.181 4.329 5.216 1.00 0.00 H new ATOM 251 N SER A 17 -5.093 -1.386 7.369 1.00 0.00 N ATOM 252 CA SER A 17 -5.233 -0.948 8.759 1.00 0.00 C ATOM 253 C SER A 17 -4.252 -1.715 9.618 1.00 0.00 C ATOM 254 O SER A 17 -3.698 -1.194 10.586 1.00 0.00 O ATOM 255 CB SER A 17 -6.653 -1.181 9.279 1.00 0.00 C ATOM 256 OG SER A 17 -7.531 -0.244 8.672 1.00 0.00 O ATOM 0 H SER A 17 -5.923 -1.822 6.966 1.00 0.00 H new ATOM 0 HA SER A 17 -5.028 0.121 8.806 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.974 -2.198 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.679 -1.072 10.363 1.00 0.00 H new ATOM 0 HG SER A 17 -8.443 -0.390 9.000 1.00 0.00 H new ATOM 262 N LEU A 18 -4.037 -2.957 9.229 1.00 0.00 N ATOM 263 CA LEU A 18 -3.113 -3.837 9.909 1.00 0.00 C ATOM 264 C LEU A 18 -1.699 -3.264 9.828 1.00 0.00 C ATOM 265 O LEU A 18 -0.958 -3.273 10.809 1.00 0.00 O ATOM 266 CB LEU A 18 -3.229 -5.205 9.217 1.00 0.00 C ATOM 267 CG LEU A 18 -2.215 -6.234 9.764 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.873 -7.626 9.777 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.976 -6.291 8.855 1.00 0.00 C ATOM 0 H LEU A 18 -4.502 -3.384 8.428 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.343 -3.939 10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.240 -5.591 9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.073 -5.081 8.145 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.916 -5.939 10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.165 -8.360 10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.756 -7.605 10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.165 -7.900 8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.268 -7.019 9.250 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.276 -6.585 7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.505 -5.309 8.820 1.00 0.00 H new ATOM 281 N PHE A 19 -1.340 -2.751 8.651 1.00 0.00 N ATOM 282 CA PHE A 19 -0.017 -2.160 8.455 1.00 0.00 C ATOM 283 C PHE A 19 0.147 -0.904 9.307 1.00 0.00 C ATOM 284 O PHE A 19 1.269 -0.481 9.581 1.00 0.00 O ATOM 285 CB PHE A 19 0.211 -1.803 6.973 1.00 0.00 C ATOM 286 CG PHE A 19 0.259 -3.043 6.078 1.00 0.00 C ATOM 287 CD1 PHE A 19 0.792 -4.268 6.531 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.236 -2.959 4.766 1.00 0.00 C ATOM 289 CE1 PHE A 19 0.822 -5.378 5.689 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.200 -4.079 3.923 1.00 0.00 C ATOM 291 CZ PHE A 19 0.326 -5.288 4.387 1.00 0.00 C ATOM 0 H PHE A 19 -1.940 -2.733 7.827 1.00 0.00 H new ATOM 0 HA PHE A 19 0.722 -2.900 8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.587 -1.143 6.633 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.145 -1.250 6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.179 -4.346 7.536 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.646 -2.027 4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.231 -6.312 6.045 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.579 -4.007 2.914 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.349 -6.152 3.739 1.00 0.00 H new ATOM 301 N ASP A 20 -0.961 -0.306 9.718 1.00 0.00 N ATOM 302 CA ASP A 20 -0.897 0.907 10.529 1.00 0.00 C ATOM 303 C ASP A 20 -0.664 0.556 12.008 1.00 0.00 C ATOM 304 O ASP A 20 -1.617 0.294 12.741 1.00 0.00 O ATOM 305 CB ASP A 20 -2.217 1.673 10.383 1.00 0.00 C ATOM 306 CG ASP A 20 -2.031 3.129 10.799 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.069 3.407 11.493 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.855 3.943 10.415 1.00 0.00 O ATOM 0 H ASP A 20 -1.904 -0.633 9.509 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.066 1.524 10.186 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.562 1.624 9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.986 1.207 10.999 1.00 0.00 H new ATOM 313 N LYS A 21 0.601 0.550 12.448 1.00 0.00 N ATOM 314 CA LYS A 21 0.925 0.238 13.810 1.00 0.00 C ATOM 315 C LYS A 21 0.421 1.313 14.771 1.00 0.00 C ATOM 316 O LYS A 21 0.117 1.029 15.928 1.00 0.00 O ATOM 317 CB LYS A 21 2.440 0.117 13.925 1.00 0.00 C ATOM 318 CG LYS A 21 2.809 -0.526 15.259 1.00 0.00 C ATOM 319 CD LYS A 21 2.836 -2.059 15.137 1.00 0.00 C ATOM 320 CE LYS A 21 3.125 -2.694 16.504 1.00 0.00 C ATOM 321 NZ LYS A 21 4.531 -2.409 16.905 1.00 0.00 N ATOM 0 H LYS A 21 1.408 0.762 11.861 1.00 0.00 H new ATOM 0 HA LYS A 21 0.438 -0.698 14.082 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.829 -0.483 13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.899 1.102 13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.785 -0.165 15.584 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.089 -0.230 16.022 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.880 -2.418 14.756 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.599 -2.361 14.419 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.437 -2.299 17.251 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.962 -3.771 16.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.786 -3.001 17.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.168 -2.621 16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.622 -1.406 17.164 1.00 0.00 H new ATOM 335 N ASP A 22 0.351 2.560 14.300 1.00 0.00 N ATOM 336 CA ASP A 22 -0.099 3.666 15.148 1.00 0.00 C ATOM 337 C ASP A 22 -1.556 4.034 14.860 1.00 0.00 C ATOM 338 O ASP A 22 -2.110 4.932 15.491 1.00 0.00 O ATOM 339 CB ASP A 22 0.789 4.882 14.888 1.00 0.00 C ATOM 340 CG ASP A 22 2.249 4.453 14.830 1.00 0.00 C ATOM 341 OD1 ASP A 22 2.758 4.000 15.844 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.838 4.577 13.767 1.00 0.00 O ATOM 0 H ASP A 22 0.597 2.828 13.347 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.028 3.354 16.190 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.503 5.358 13.950 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.649 5.621 15.677 1.00 0.00 H new ATOM 347 N GLY A 23 -2.173 3.339 13.909 1.00 0.00 N ATOM 348 CA GLY A 23 -3.565 3.617 13.566 1.00 0.00 C ATOM 349 C GLY A 23 -3.782 5.115 13.363 1.00 0.00 C ATOM 350 O GLY A 23 -4.847 5.645 13.678 1.00 0.00 O ATOM 0 H GLY A 23 -1.740 2.590 13.369 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.835 3.079 12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.220 3.254 14.358 1.00 0.00 H new ATOM 354 N ASP A 24 -2.759 5.795 12.849 1.00 0.00 N ATOM 355 CA ASP A 24 -2.841 7.236 12.622 1.00 0.00 C ATOM 356 C ASP A 24 -3.724 7.558 11.421 1.00 0.00 C ATOM 357 O ASP A 24 -4.124 8.705 11.226 1.00 0.00 O ATOM 358 CB ASP A 24 -1.448 7.809 12.377 1.00 0.00 C ATOM 359 CG ASP A 24 -0.595 7.664 13.629 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.163 7.592 14.708 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.617 7.618 13.490 1.00 0.00 O ATOM 0 H ASP A 24 -1.869 5.374 12.583 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.279 7.685 13.513 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.975 7.291 11.543 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.523 8.860 12.098 1.00 0.00 H new ATOM 366 N GLY A 25 -4.016 6.543 10.607 1.00 0.00 N ATOM 367 CA GLY A 25 -4.847 6.732 9.416 1.00 0.00 C ATOM 368 C GLY A 25 -4.003 6.693 8.145 1.00 0.00 C ATOM 369 O GLY A 25 -4.536 6.678 7.035 1.00 0.00 O ATOM 0 H GLY A 25 -3.692 5.586 10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.610 5.954 9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.369 7.687 9.481 1.00 0.00 H new ATOM 373 N CYS A 26 -2.678 6.672 8.307 1.00 0.00 N ATOM 374 CA CYS A 26 -1.772 6.630 7.155 1.00 0.00 C ATOM 375 C CYS A 26 -0.596 5.700 7.427 1.00 0.00 C ATOM 376 O CYS A 26 -0.250 5.432 8.580 1.00 0.00 O ATOM 377 CB CYS A 26 -1.245 8.038 6.847 1.00 0.00 C ATOM 378 SG CYS A 26 0.026 8.501 8.052 1.00 0.00 S ATOM 0 H CYS A 26 -2.212 6.683 9.214 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.330 6.253 6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.831 8.068 5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.064 8.756 6.876 1.00 0.00 H new ATOM 0 HG CYS A 26 0.333 7.467 8.777 1.00 0.00 H new ATOM 384 N ILE A 27 0.035 5.230 6.349 1.00 0.00 N ATOM 385 CA ILE A 27 1.201 4.354 6.454 1.00 0.00 C ATOM 386 C ILE A 27 2.407 5.103 5.908 1.00 0.00 C ATOM 387 O ILE A 27 2.369 5.600 4.784 1.00 0.00 O ATOM 388 CB ILE A 27 1.000 3.080 5.619 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.250 2.342 6.087 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.204 2.147 5.784 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.505 1.153 5.158 1.00 0.00 C ATOM 0 H ILE A 27 -0.244 5.443 5.391 1.00 0.00 H new ATOM 0 HA ILE A 27 1.346 4.073 7.497 1.00 0.00 H new ATOM 0 HB ILE A 27 0.894 3.368 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.121 1.997 7.113 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.108 3.014 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.051 1.247 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.107 2.656 5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.311 1.873 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.397 0.620 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.651 1.512 4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.351 0.479 5.186 1.00 0.00 H new ATOM 403 N THR A 28 3.481 5.176 6.685 1.00 0.00 N ATOM 404 CA THR A 28 4.684 5.857 6.218 1.00 0.00 C ATOM 405 C THR A 28 5.531 4.859 5.435 1.00 0.00 C ATOM 406 O THR A 28 5.031 3.823 5.013 1.00 0.00 O ATOM 407 CB THR A 28 5.465 6.443 7.397 1.00 0.00 C ATOM 408 OG1 THR A 28 5.731 5.428 8.349 1.00 0.00 O ATOM 409 CG2 THR A 28 4.637 7.559 8.043 1.00 0.00 C ATOM 0 H THR A 28 3.545 4.781 7.623 1.00 0.00 H new ATOM 0 HA THR A 28 4.412 6.689 5.568 1.00 0.00 H new ATOM 0 HB THR A 28 6.412 6.850 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.467 4.558 7.982 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.188 7.981 8.884 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.443 8.340 7.308 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.690 7.151 8.397 1.00 0.00 H new ATOM 417 N THR A 29 6.808 5.151 5.225 1.00 0.00 N ATOM 418 CA THR A 29 7.666 4.229 4.482 1.00 0.00 C ATOM 419 C THR A 29 8.260 3.165 5.405 1.00 0.00 C ATOM 420 O THR A 29 8.615 2.072 4.964 1.00 0.00 O ATOM 421 CB THR A 29 8.774 5.015 3.793 1.00 0.00 C ATOM 422 OG1 THR A 29 9.512 5.741 4.764 1.00 0.00 O ATOM 423 CG2 THR A 29 8.150 5.985 2.785 1.00 0.00 C ATOM 0 H THR A 29 7.269 6.001 5.550 1.00 0.00 H new ATOM 0 HA THR A 29 7.064 3.717 3.732 1.00 0.00 H new ATOM 0 HB THR A 29 9.443 4.330 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.226 6.246 4.322 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.938 6.551 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.583 5.423 2.042 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.483 6.672 3.306 1.00 0.00 H new ATOM 431 N LYS A 30 8.367 3.504 6.683 1.00 0.00 N ATOM 432 CA LYS A 30 8.918 2.585 7.678 1.00 0.00 C ATOM 433 C LYS A 30 7.923 1.469 7.976 1.00 0.00 C ATOM 434 O LYS A 30 8.279 0.289 7.992 1.00 0.00 O ATOM 435 CB LYS A 30 9.250 3.340 8.974 1.00 0.00 C ATOM 436 CG LYS A 30 8.149 4.360 9.284 1.00 0.00 C ATOM 437 CD LYS A 30 8.472 5.074 10.595 1.00 0.00 C ATOM 438 CE LYS A 30 7.402 6.131 10.880 1.00 0.00 C ATOM 439 NZ LYS A 30 6.078 5.470 11.072 1.00 0.00 N ATOM 0 H LYS A 30 8.080 4.408 7.058 1.00 0.00 H new ATOM 0 HA LYS A 30 9.832 2.149 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.347 2.636 9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.209 3.848 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.070 5.084 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.184 3.858 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.514 4.354 11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.454 5.543 10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.668 6.700 11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.349 6.840 10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.463 6.084 11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.636 5.303 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.211 4.562 11.561 1.00 0.00 H new ATOM 453 N GLU A 31 6.670 1.856 8.177 1.00 0.00 N ATOM 454 CA GLU A 31 5.614 0.895 8.439 1.00 0.00 C ATOM 455 C GLU A 31 5.467 0.000 7.228 1.00 0.00 C ATOM 456 O GLU A 31 5.515 -1.226 7.329 1.00 0.00 O ATOM 457 CB GLU A 31 4.307 1.639 8.709 1.00 0.00 C ATOM 458 CG GLU A 31 4.366 2.279 10.094 1.00 0.00 C ATOM 459 CD GLU A 31 3.104 3.094 10.358 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.273 3.175 9.470 1.00 0.00 O ATOM 461 OE2 GLU A 31 2.987 3.622 11.449 1.00 0.00 O ATOM 0 H GLU A 31 6.363 2.829 8.163 1.00 0.00 H new ATOM 0 HA GLU A 31 5.858 0.290 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.147 2.404 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.464 0.950 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.473 1.506 10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.243 2.922 10.167 1.00 0.00 H new ATOM 468 N LEU A 32 5.348 0.634 6.074 1.00 0.00 N ATOM 469 CA LEU A 32 5.266 -0.094 4.829 1.00 0.00 C ATOM 470 C LEU A 32 6.578 -0.826 4.639 1.00 0.00 C ATOM 471 O LEU A 32 6.611 -1.980 4.215 1.00 0.00 O ATOM 472 CB LEU A 32 5.012 0.882 3.674 1.00 0.00 C ATOM 473 CG LEU A 32 5.126 0.164 2.287 1.00 0.00 C ATOM 474 CD1 LEU A 32 3.773 0.205 1.561 1.00 0.00 C ATOM 475 CD2 LEU A 32 6.169 0.877 1.419 1.00 0.00 C ATOM 0 H LEU A 32 5.306 1.649 5.978 1.00 0.00 H new ATOM 0 HA LEU A 32 4.443 -0.808 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.020 1.322 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.730 1.701 3.722 1.00 0.00 H new ATOM 0 HG LEU A 32 5.424 -0.871 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.862 -0.297 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.020 -0.301 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.475 1.242 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.245 0.374 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.867 1.913 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.137 0.851 1.919 1.00 0.00 H new ATOM 487 N GLY A 33 7.658 -0.142 4.979 1.00 0.00 N ATOM 488 CA GLY A 33 8.974 -0.724 4.868 1.00 0.00 C ATOM 489 C GLY A 33 9.061 -1.996 5.698 1.00 0.00 C ATOM 490 O GLY A 33 9.497 -3.022 5.217 1.00 0.00 O ATOM 0 H GLY A 33 7.644 0.815 5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.193 -0.947 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.725 -0.009 5.206 1.00 0.00 H new ATOM 494 N THR A 34 8.595 -1.922 6.937 1.00 0.00 N ATOM 495 CA THR A 34 8.606 -3.092 7.811 1.00 0.00 C ATOM 496 C THR A 34 7.868 -4.227 7.129 1.00 0.00 C ATOM 497 O THR A 34 8.291 -5.385 7.153 1.00 0.00 O ATOM 498 CB THR A 34 7.900 -2.764 9.134 1.00 0.00 C ATOM 499 OG1 THR A 34 8.400 -1.540 9.650 1.00 0.00 O ATOM 500 CG2 THR A 34 8.141 -3.883 10.153 1.00 0.00 C ATOM 0 H THR A 34 8.209 -1.077 7.358 1.00 0.00 H new ATOM 0 HA THR A 34 9.638 -3.380 8.013 1.00 0.00 H new ATOM 0 HB THR A 34 6.829 -2.674 8.950 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.937 -0.791 9.221 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.635 -3.639 11.087 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.748 -4.822 9.762 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.211 -3.985 10.335 1.00 0.00 H new ATOM 508 N VAL A 35 6.746 -3.865 6.541 1.00 0.00 N ATOM 509 CA VAL A 35 5.888 -4.810 5.855 1.00 0.00 C ATOM 510 C VAL A 35 6.506 -5.339 4.560 1.00 0.00 C ATOM 511 O VAL A 35 6.630 -6.550 4.378 1.00 0.00 O ATOM 512 CB VAL A 35 4.568 -4.089 5.562 1.00 0.00 C ATOM 513 CG1 VAL A 35 3.660 -4.919 4.658 1.00 0.00 C ATOM 514 CG2 VAL A 35 3.873 -3.805 6.891 1.00 0.00 C ATOM 0 H VAL A 35 6.402 -2.905 6.525 1.00 0.00 H new ATOM 0 HA VAL A 35 5.736 -5.683 6.490 1.00 0.00 H new ATOM 0 HB VAL A 35 4.780 -3.159 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.734 -4.374 4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.165 -5.109 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.432 -5.868 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.930 -3.291 6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.679 -4.745 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.513 -3.176 7.509 1.00 0.00 H new ATOM 524 N MET A 36 6.889 -4.444 3.660 1.00 0.00 N ATOM 525 CA MET A 36 7.474 -4.886 2.400 1.00 0.00 C ATOM 526 C MET A 36 8.818 -5.559 2.653 1.00 0.00 C ATOM 527 O MET A 36 9.118 -6.604 2.077 1.00 0.00 O ATOM 528 CB MET A 36 7.636 -3.679 1.474 1.00 0.00 C ATOM 529 CG MET A 36 8.691 -2.769 2.050 1.00 0.00 C ATOM 530 SD MET A 36 8.543 -1.127 1.296 1.00 0.00 S ATOM 531 CE MET A 36 8.582 -1.650 -0.436 1.00 0.00 C ATOM 0 H MET A 36 6.809 -3.433 3.772 1.00 0.00 H new ATOM 0 HA MET A 36 6.817 -5.614 1.924 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.923 -4.005 0.474 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.690 -3.147 1.377 1.00 0.00 H new ATOM 0 HG2 MET A 36 8.574 -2.697 3.131 1.00 0.00 H new ATOM 0 HG3 MET A 36 9.683 -3.180 1.863 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.909 -0.818 -1.060 1.00 0.00 H new ATOM 0 HE2 MET A 36 9.276 -2.483 -0.549 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.585 -1.964 -0.744 1.00 0.00 H new ATOM 541 N ARG A 37 9.605 -4.964 3.545 1.00 0.00 N ATOM 542 CA ARG A 37 10.913 -5.515 3.897 1.00 0.00 C ATOM 543 C ARG A 37 10.772 -6.971 4.300 1.00 0.00 C ATOM 544 O ARG A 37 11.483 -7.848 3.810 1.00 0.00 O ATOM 545 CB ARG A 37 11.450 -4.735 5.096 1.00 0.00 C ATOM 546 CG ARG A 37 12.815 -5.241 5.546 1.00 0.00 C ATOM 547 CD ARG A 37 13.215 -4.473 6.812 1.00 0.00 C ATOM 548 NE ARG A 37 13.354 -3.047 6.524 1.00 0.00 N ATOM 549 CZ ARG A 37 14.480 -2.551 6.025 1.00 0.00 C ATOM 550 NH1 ARG A 37 15.481 -3.346 5.768 1.00 0.00 N ATOM 551 NH2 ARG A 37 14.584 -1.270 5.791 1.00 0.00 N ATOM 0 H ARG A 37 9.362 -4.104 4.036 1.00 0.00 H new ATOM 0 HA ARG A 37 11.585 -5.439 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.523 -3.679 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.745 -4.812 5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.777 -6.312 5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.555 -5.090 4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.463 -4.622 7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.155 -4.865 7.200 1.00 0.00 H new ATOM 0 HE ARG A 37 12.571 -2.421 6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.398 -4.346 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.347 -2.968 5.385 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.800 -0.650 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.450 -0.890 5.408 1.00 0.00 H new ATOM 565 N SER A 38 9.853 -7.197 5.214 1.00 0.00 N ATOM 566 CA SER A 38 9.595 -8.534 5.732 1.00 0.00 C ATOM 567 C SER A 38 9.183 -9.495 4.615 1.00 0.00 C ATOM 568 O SER A 38 9.514 -10.679 4.652 1.00 0.00 O ATOM 569 CB SER A 38 8.489 -8.465 6.782 1.00 0.00 C ATOM 570 OG SER A 38 8.983 -7.812 7.943 1.00 0.00 O ATOM 0 H SER A 38 9.265 -6.469 5.620 1.00 0.00 H new ATOM 0 HA SER A 38 10.514 -8.911 6.180 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.629 -7.925 6.386 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.147 -9.469 7.033 1.00 0.00 H new ATOM 0 HG SER A 38 8.676 -6.882 7.951 1.00 0.00 H new ATOM 576 N LEU A 39 8.438 -8.982 3.644 1.00 0.00 N ATOM 577 CA LEU A 39 7.955 -9.811 2.536 1.00 0.00 C ATOM 578 C LEU A 39 9.115 -10.305 1.652 1.00 0.00 C ATOM 579 O LEU A 39 8.965 -10.464 0.439 1.00 0.00 O ATOM 580 CB LEU A 39 6.929 -9.002 1.700 1.00 0.00 C ATOM 581 CG LEU A 39 5.472 -9.284 2.150 1.00 0.00 C ATOM 582 CD1 LEU A 39 4.974 -10.597 1.525 1.00 0.00 C ATOM 583 CD2 LEU A 39 5.362 -9.370 3.691 1.00 0.00 C ATOM 0 H LEU A 39 8.154 -8.003 3.597 1.00 0.00 H new ATOM 0 HA LEU A 39 7.469 -10.695 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.140 -7.937 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.039 -9.254 0.645 1.00 0.00 H new ATOM 0 HG LEU A 39 4.852 -8.455 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.950 -10.787 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.005 -10.517 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.614 -11.419 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.328 -9.569 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.998 -10.176 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.683 -8.426 4.132 1.00 0.00 H new ATOM 595 N GLY A 40 10.261 -10.580 2.266 1.00 0.00 N ATOM 596 CA GLY A 40 11.409 -11.084 1.519 1.00 0.00 C ATOM 597 C GLY A 40 11.916 -10.065 0.505 1.00 0.00 C ATOM 598 O GLY A 40 12.250 -10.417 -0.626 1.00 0.00 O ATOM 0 H GLY A 40 10.420 -10.464 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.211 -11.337 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.132 -12.003 1.003 1.00 0.00 H new ATOM 602 N GLN A 41 11.979 -8.805 0.919 1.00 0.00 N ATOM 603 CA GLN A 41 12.455 -7.728 0.048 1.00 0.00 C ATOM 604 C GLN A 41 13.391 -6.814 0.834 1.00 0.00 C ATOM 605 O GLN A 41 13.242 -6.663 2.043 1.00 0.00 O ATOM 606 CB GLN A 41 11.264 -6.917 -0.473 1.00 0.00 C ATOM 607 CG GLN A 41 10.370 -7.809 -1.341 1.00 0.00 C ATOM 608 CD GLN A 41 11.117 -8.229 -2.602 1.00 0.00 C ATOM 609 OE1 GLN A 41 11.235 -9.496 -2.889 1.00 0.00 O flip ATOM 610 NE2 GLN A 41 11.606 -7.380 -3.346 1.00 0.00 N flip ATOM 0 H GLN A 41 11.707 -8.500 1.853 1.00 0.00 H new ATOM 0 HA GLN A 41 12.992 -8.159 -0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.691 -6.516 0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.618 -6.066 -1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.067 -8.691 -0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.459 -7.273 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.513 -6.390 -3.120 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.104 -7.666 -4.189 1.00 0.00 H new ATOM 619 N ASN A 42 14.371 -6.219 0.153 1.00 0.00 N ATOM 620 CA ASN A 42 15.330 -5.332 0.822 1.00 0.00 C ATOM 621 C ASN A 42 15.594 -4.083 -0.016 1.00 0.00 C ATOM 622 O ASN A 42 16.701 -3.893 -0.516 1.00 0.00 O ATOM 623 CB ASN A 42 16.653 -6.068 1.045 1.00 0.00 C ATOM 624 CG ASN A 42 16.497 -7.101 2.157 1.00 0.00 C ATOM 625 OD1 ASN A 42 15.641 -8.074 2.014 1.00 0.00 O flip ATOM 626 ND2 ASN A 42 17.175 -7.018 3.181 1.00 0.00 N flip ATOM 0 H ASN A 42 14.523 -6.331 -0.849 1.00 0.00 H new ATOM 0 HA ASN A 42 14.902 -5.034 1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.965 -6.559 0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.435 -5.355 1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.844 -6.255 3.289 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.068 -7.712 3.921 1.00 0.00 H new ATOM 633 N PRO A 43 14.614 -3.232 -0.175 1.00 0.00 N ATOM 634 CA PRO A 43 14.768 -1.979 -0.969 1.00 0.00 C ATOM 635 C PRO A 43 15.561 -0.927 -0.205 1.00 0.00 C ATOM 636 O PRO A 43 15.562 -0.915 1.026 1.00 0.00 O ATOM 637 CB PRO A 43 13.324 -1.519 -1.178 1.00 0.00 C ATOM 638 CG PRO A 43 12.617 -1.996 0.042 1.00 0.00 C ATOM 639 CD PRO A 43 13.249 -3.351 0.379 1.00 0.00 C ATOM 0 HA PRO A 43 15.314 -2.136 -1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.260 -0.436 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.894 -1.949 -2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.737 -1.292 0.865 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.547 -2.096 -0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.265 -3.532 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.700 -4.176 -0.075 1.00 0.00 H new ATOM 647 N THR A 44 16.190 -0.014 -0.935 1.00 0.00 N ATOM 648 CA THR A 44 16.926 1.065 -0.298 1.00 0.00 C ATOM 649 C THR A 44 15.961 2.219 -0.062 1.00 0.00 C ATOM 650 O THR A 44 14.829 2.196 -0.544 1.00 0.00 O ATOM 651 CB THR A 44 18.101 1.520 -1.170 1.00 0.00 C ATOM 652 OG1 THR A 44 18.921 0.400 -1.481 1.00 0.00 O ATOM 653 CG2 THR A 44 18.935 2.565 -0.422 1.00 0.00 C ATOM 0 H THR A 44 16.205 -0.000 -1.955 1.00 0.00 H new ATOM 0 HA THR A 44 17.341 0.718 0.649 1.00 0.00 H new ATOM 0 HB THR A 44 17.713 1.960 -2.089 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.672 0.690 -2.040 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.768 2.883 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.311 3.426 -0.184 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.321 2.131 0.500 1.00 0.00 H new ATOM 661 N GLU A 45 16.396 3.207 0.692 1.00 0.00 N ATOM 662 CA GLU A 45 15.534 4.340 1.000 1.00 0.00 C ATOM 663 C GLU A 45 15.091 5.079 -0.262 1.00 0.00 C ATOM 664 O GLU A 45 13.950 5.533 -0.343 1.00 0.00 O ATOM 665 CB GLU A 45 16.262 5.298 1.932 1.00 0.00 C ATOM 666 CG GLU A 45 16.456 4.622 3.288 1.00 0.00 C ATOM 667 CD GLU A 45 17.287 5.518 4.197 1.00 0.00 C ATOM 668 OE1 GLU A 45 17.712 6.563 3.735 1.00 0.00 O ATOM 669 OE2 GLU A 45 17.482 5.148 5.342 1.00 0.00 O ATOM 0 H GLU A 45 17.329 3.254 1.101 1.00 0.00 H new ATOM 0 HA GLU A 45 14.638 3.955 1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.227 5.575 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.689 6.218 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.488 4.421 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.952 3.660 3.158 1.00 0.00 H new ATOM 676 N ALA A 46 15.975 5.191 -1.249 1.00 0.00 N ATOM 677 CA ALA A 46 15.614 5.874 -2.488 1.00 0.00 C ATOM 678 C ALA A 46 14.387 5.217 -3.087 1.00 0.00 C ATOM 679 O ALA A 46 13.443 5.884 -3.511 1.00 0.00 O ATOM 680 CB ALA A 46 16.765 5.783 -3.493 1.00 0.00 C ATOM 0 H ALA A 46 16.927 4.826 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 46 15.408 6.921 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.486 6.295 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.654 6.253 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.976 4.736 -3.710 1.00 0.00 H new ATOM 686 N GLU A 47 14.428 3.901 -3.132 1.00 0.00 N ATOM 687 CA GLU A 47 13.344 3.125 -3.693 1.00 0.00 C ATOM 688 C GLU A 47 12.038 3.366 -2.932 1.00 0.00 C ATOM 689 O GLU A 47 10.993 3.566 -3.546 1.00 0.00 O ATOM 690 CB GLU A 47 13.737 1.645 -3.640 1.00 0.00 C ATOM 691 CG GLU A 47 14.721 1.335 -4.775 1.00 0.00 C ATOM 692 CD GLU A 47 15.918 2.283 -4.710 1.00 0.00 C ATOM 693 OE1 GLU A 47 15.759 3.438 -5.075 1.00 0.00 O ATOM 694 OE2 GLU A 47 16.977 1.839 -4.304 1.00 0.00 O ATOM 0 H GLU A 47 15.208 3.344 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 47 13.173 3.430 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.192 1.413 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.850 1.019 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.061 0.302 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.220 1.436 -5.738 1.00 0.00 H new ATOM 701 N LEU A 48 12.093 3.342 -1.601 1.00 0.00 N ATOM 702 CA LEU A 48 10.885 3.553 -0.794 1.00 0.00 C ATOM 703 C LEU A 48 10.311 4.945 -1.015 1.00 0.00 C ATOM 704 O LEU A 48 9.107 5.112 -1.221 1.00 0.00 O ATOM 705 CB LEU A 48 11.241 3.438 0.679 1.00 0.00 C ATOM 706 CG LEU A 48 11.827 2.065 0.961 1.00 0.00 C ATOM 707 CD1 LEU A 48 12.238 1.996 2.435 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.794 0.973 0.644 1.00 0.00 C ATOM 0 H LEU A 48 12.944 3.182 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 48 10.152 2.803 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.958 4.212 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.353 3.597 1.291 1.00 0.00 H new ATOM 0 HG LEU A 48 12.701 1.901 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.660 1.014 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.983 2.764 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.364 2.160 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.225 -0.007 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.910 1.118 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.513 1.032 -0.408 1.00 0.00 H new ATOM 720 N GLN A 49 11.186 5.938 -0.969 1.00 0.00 N ATOM 721 CA GLN A 49 10.774 7.323 -1.159 1.00 0.00 C ATOM 722 C GLN A 49 10.227 7.495 -2.563 1.00 0.00 C ATOM 723 O GLN A 49 9.246 8.196 -2.788 1.00 0.00 O ATOM 724 CB GLN A 49 11.975 8.249 -0.958 1.00 0.00 C ATOM 725 CG GLN A 49 11.540 9.713 -1.073 1.00 0.00 C ATOM 726 CD GLN A 49 12.755 10.619 -0.902 1.00 0.00 C ATOM 727 OE1 GLN A 49 13.877 10.209 -1.197 1.00 0.00 O ATOM 728 NE2 GLN A 49 12.599 11.828 -0.441 1.00 0.00 N ATOM 0 H GLN A 49 12.184 5.812 -0.802 1.00 0.00 H new ATOM 0 HA GLN A 49 10.001 7.576 -0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.421 8.071 0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.741 8.030 -1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.074 9.890 -2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.792 9.942 -0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.667 12.165 -0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.408 12.438 -0.324 1.00 0.00 H new ATOM 737 N ASP A 50 10.883 6.848 -3.505 1.00 0.00 N ATOM 738 CA ASP A 50 10.476 6.912 -4.884 1.00 0.00 C ATOM 739 C ASP A 50 9.235 6.053 -5.128 1.00 0.00 C ATOM 740 O ASP A 50 8.347 6.429 -5.892 1.00 0.00 O ATOM 741 CB ASP A 50 11.636 6.431 -5.736 1.00 0.00 C ATOM 742 CG ASP A 50 12.775 7.441 -5.659 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.538 8.533 -5.163 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.866 7.110 -6.088 1.00 0.00 O ATOM 0 H ASP A 50 11.705 6.269 -3.333 1.00 0.00 H new ATOM 0 HA ASP A 50 10.215 7.937 -5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.976 5.456 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.315 6.307 -6.770 1.00 0.00 H new ATOM 749 N MET A 51 9.187 4.895 -4.470 1.00 0.00 N ATOM 750 CA MET A 51 8.056 3.986 -4.610 1.00 0.00 C ATOM 751 C MET A 51 6.775 4.642 -4.107 1.00 0.00 C ATOM 752 O MET A 51 5.733 4.593 -4.762 1.00 0.00 O ATOM 753 CB MET A 51 8.331 2.723 -3.777 1.00 0.00 C ATOM 754 CG MET A 51 9.226 1.744 -4.553 1.00 0.00 C ATOM 755 SD MET A 51 8.188 0.671 -5.584 1.00 0.00 S ATOM 756 CE MET A 51 8.377 -0.857 -4.631 1.00 0.00 C ATOM 0 H MET A 51 9.917 4.567 -3.837 1.00 0.00 H new ATOM 0 HA MET A 51 7.931 3.733 -5.663 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.813 2.998 -2.839 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.389 2.238 -3.521 1.00 0.00 H new ATOM 0 HG2 MET A 51 9.932 2.294 -5.176 1.00 0.00 H new ATOM 0 HG3 MET A 51 9.814 1.143 -3.859 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.806 -1.655 -5.106 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.430 -1.136 -4.596 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.009 -0.701 -3.617 1.00 0.00 H new ATOM 766 N ILE A 52 6.873 5.243 -2.932 1.00 0.00 N ATOM 767 CA ILE A 52 5.731 5.905 -2.324 1.00 0.00 C ATOM 768 C ILE A 52 5.406 7.203 -3.063 1.00 0.00 C ATOM 769 O ILE A 52 4.243 7.532 -3.269 1.00 0.00 O ATOM 770 CB ILE A 52 6.035 6.175 -0.835 1.00 0.00 C ATOM 771 CG1 ILE A 52 4.747 6.458 -0.065 1.00 0.00 C ATOM 772 CG2 ILE A 52 6.970 7.377 -0.681 1.00 0.00 C ATOM 773 CD1 ILE A 52 5.064 6.496 1.433 1.00 0.00 C ATOM 0 H ILE A 52 7.730 5.286 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 52 4.856 5.259 -2.395 1.00 0.00 H new ATOM 0 HB ILE A 52 6.516 5.284 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.318 7.408 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.005 5.687 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.171 7.549 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.907 7.178 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.499 8.262 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.151 6.698 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.475 5.535 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.792 7.283 1.631 1.00 0.00 H new ATOM 785 N ASN A 53 6.459 7.934 -3.434 1.00 0.00 N ATOM 786 CA ASN A 53 6.319 9.218 -4.126 1.00 0.00 C ATOM 787 C ASN A 53 5.695 9.089 -5.526 1.00 0.00 C ATOM 788 O ASN A 53 5.084 10.036 -6.018 1.00 0.00 O ATOM 789 CB ASN A 53 7.683 9.899 -4.227 1.00 0.00 C ATOM 790 CG ASN A 53 7.567 11.196 -5.014 1.00 0.00 C ATOM 791 OD1 ASN A 53 6.606 11.946 -4.846 1.00 0.00 O ATOM 792 ND2 ASN A 53 8.500 11.508 -5.871 1.00 0.00 N ATOM 0 H ASN A 53 7.426 7.656 -3.265 1.00 0.00 H new ATOM 0 HA ASN A 53 5.633 9.823 -3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.070 10.104 -3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.395 9.232 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.434 12.375 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.296 10.885 -6.008 1.00 0.00 H new ATOM 799 N GLU A 54 5.866 7.948 -6.182 1.00 0.00 N ATOM 800 CA GLU A 54 5.320 7.756 -7.515 1.00 0.00 C ATOM 801 C GLU A 54 3.793 7.777 -7.493 1.00 0.00 C ATOM 802 O GLU A 54 3.150 8.502 -8.251 1.00 0.00 O ATOM 803 CB GLU A 54 5.794 6.397 -8.024 1.00 0.00 C ATOM 804 CG GLU A 54 5.454 6.253 -9.496 1.00 0.00 C ATOM 805 CD GLU A 54 6.001 4.929 -10.023 1.00 0.00 C ATOM 806 OE1 GLU A 54 6.803 4.325 -9.330 1.00 0.00 O ATOM 807 OE2 GLU A 54 5.603 4.533 -11.108 1.00 0.00 O ATOM 0 H GLU A 54 6.377 7.146 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 54 5.660 8.563 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.870 6.299 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.321 5.599 -7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.374 6.292 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.879 7.083 -10.060 1.00 0.00 H new ATOM 814 N VAL A 55 3.234 6.965 -6.606 1.00 0.00 N ATOM 815 CA VAL A 55 1.787 6.858 -6.448 1.00 0.00 C ATOM 816 C VAL A 55 1.237 7.997 -5.603 1.00 0.00 C ATOM 817 O VAL A 55 0.027 8.145 -5.442 1.00 0.00 O ATOM 818 CB VAL A 55 1.461 5.538 -5.759 1.00 0.00 C ATOM 819 CG1 VAL A 55 2.137 5.521 -4.379 1.00 0.00 C ATOM 820 CG2 VAL A 55 -0.057 5.398 -5.598 1.00 0.00 C ATOM 0 H VAL A 55 3.767 6.364 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 55 1.330 6.906 -7.436 1.00 0.00 H new ATOM 0 HB VAL A 55 1.828 4.706 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.912 4.581 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.216 5.618 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.764 6.352 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.285 4.453 -5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.437 6.223 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.530 5.419 -6.580 1.00 0.00 H new ATOM 830 N ASP A 56 2.144 8.782 -5.053 1.00 0.00 N ATOM 831 CA ASP A 56 1.769 9.895 -4.195 1.00 0.00 C ATOM 832 C ASP A 56 1.018 10.964 -4.986 1.00 0.00 C ATOM 833 O ASP A 56 1.291 12.158 -4.856 1.00 0.00 O ATOM 834 CB ASP A 56 3.038 10.459 -3.562 1.00 0.00 C ATOM 835 CG ASP A 56 2.749 11.610 -2.620 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.600 11.786 -2.266 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.696 12.287 -2.250 1.00 0.00 O ATOM 0 H ASP A 56 3.149 8.671 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 56 1.094 9.551 -3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.552 9.667 -3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.714 10.797 -4.348 1.00 0.00 H new ATOM 842 N ALA A 57 0.060 10.520 -5.802 1.00 0.00 N ATOM 843 CA ALA A 57 -0.741 11.432 -6.612 1.00 0.00 C ATOM 844 C ALA A 57 -1.231 12.591 -5.754 1.00 0.00 C ATOM 845 O ALA A 57 -1.518 13.676 -6.258 1.00 0.00 O ATOM 846 CB ALA A 57 -1.949 10.687 -7.188 1.00 0.00 C ATOM 0 H ALA A 57 -0.178 9.535 -5.917 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.126 11.816 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.544 11.372 -7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.604 9.861 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.559 10.298 -6.373 1.00 0.00 H new ATOM 852 N ASP A 58 -1.331 12.339 -4.455 1.00 0.00 N ATOM 853 CA ASP A 58 -1.794 13.353 -3.513 1.00 0.00 C ATOM 854 C ASP A 58 -0.673 14.325 -3.143 1.00 0.00 C ATOM 855 O ASP A 58 -0.907 15.521 -2.977 1.00 0.00 O ATOM 856 CB ASP A 58 -2.318 12.669 -2.253 1.00 0.00 C ATOM 857 CG ASP A 58 -3.301 11.569 -2.636 1.00 0.00 C ATOM 858 OD1 ASP A 58 -4.134 11.820 -3.492 1.00 0.00 O ATOM 859 OD2 ASP A 58 -3.204 10.492 -2.072 1.00 0.00 O ATOM 0 H ASP A 58 -1.098 11.442 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.591 13.925 -3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.489 12.247 -1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.807 13.399 -1.608 1.00 0.00 H new ATOM 864 N GLY A 59 0.542 13.800 -3.001 1.00 0.00 N ATOM 865 CA GLY A 59 1.692 14.627 -2.634 1.00 0.00 C ATOM 866 C GLY A 59 1.812 14.772 -1.115 1.00 0.00 C ATOM 867 O GLY A 59 2.484 15.677 -0.621 1.00 0.00 O ATOM 0 H GLY A 59 0.756 12.812 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.604 14.182 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.593 15.613 -3.089 1.00 0.00 H new ATOM 871 N ASN A 60 1.151 13.879 -0.379 1.00 0.00 N ATOM 872 CA ASN A 60 1.186 13.925 1.083 1.00 0.00 C ATOM 873 C ASN A 60 2.431 13.230 1.632 1.00 0.00 C ATOM 874 O ASN A 60 2.899 13.557 2.722 1.00 0.00 O ATOM 875 CB ASN A 60 -0.069 13.268 1.657 1.00 0.00 C ATOM 876 CG ASN A 60 -0.188 11.836 1.147 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.781 11.274 0.643 1.00 0.00 O ATOM 878 ND2 ASN A 60 -1.330 11.212 1.249 1.00 0.00 N ATOM 0 H ASN A 60 0.589 13.121 -0.767 1.00 0.00 H new ATOM 0 HA ASN A 60 1.220 14.972 1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.026 13.272 2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.952 13.839 1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.420 10.254 0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.132 11.682 1.668 1.00 0.00 H new ATOM 885 N GLY A 61 2.976 12.273 0.878 1.00 0.00 N ATOM 886 CA GLY A 61 4.176 11.554 1.312 1.00 0.00 C ATOM 887 C GLY A 61 3.825 10.310 2.123 1.00 0.00 C ATOM 888 O GLY A 61 4.703 9.535 2.500 1.00 0.00 O ATOM 0 H GLY A 61 2.610 11.980 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.763 11.266 0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.800 12.216 1.912 1.00 0.00 H new ATOM 892 N THR A 62 2.535 10.115 2.372 1.00 0.00 N ATOM 893 CA THR A 62 2.063 8.949 3.121 1.00 0.00 C ATOM 894 C THR A 62 0.926 8.296 2.359 1.00 0.00 C ATOM 895 O THR A 62 0.443 8.840 1.367 1.00 0.00 O ATOM 896 CB THR A 62 1.615 9.349 4.528 1.00 0.00 C ATOM 897 OG1 THR A 62 0.491 10.215 4.450 1.00 0.00 O ATOM 898 CG2 THR A 62 2.768 10.056 5.236 1.00 0.00 C ATOM 0 H THR A 62 1.795 10.747 2.068 1.00 0.00 H new ATOM 0 HA THR A 62 2.881 8.237 3.228 1.00 0.00 H new ATOM 0 HB THR A 62 1.333 8.458 5.089 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.208 10.466 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.456 10.344 6.240 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.623 9.383 5.301 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.049 10.946 4.674 1.00 0.00 H new ATOM 906 N ILE A 63 0.539 7.100 2.786 1.00 0.00 N ATOM 907 CA ILE A 63 -0.498 6.348 2.082 1.00 0.00 C ATOM 908 C ILE A 63 -1.800 6.281 2.863 1.00 0.00 C ATOM 909 O ILE A 63 -1.839 5.789 3.990 1.00 0.00 O ATOM 910 CB ILE A 63 0.001 4.916 1.839 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.483 4.955 1.453 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.798 4.267 0.705 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.969 3.539 1.144 1.00 0.00 C ATOM 0 H ILE A 63 0.922 6.632 3.608 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.697 6.866 1.144 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.131 4.333 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.626 5.597 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.070 5.383 2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.437 3.252 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.854 4.237 0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.673 4.849 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.023 3.568 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.841 2.910 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.390 3.128 0.317 1.00 0.00 H new ATOM 925 N ASP A 64 -2.876 6.714 2.216 1.00 0.00 N ATOM 926 CA ASP A 64 -4.203 6.628 2.797 1.00 0.00 C ATOM 927 C ASP A 64 -4.760 5.286 2.342 1.00 0.00 C ATOM 928 O ASP A 64 -4.040 4.529 1.693 1.00 0.00 O ATOM 929 CB ASP A 64 -5.074 7.788 2.302 1.00 0.00 C ATOM 930 CG ASP A 64 -5.106 7.806 0.777 1.00 0.00 C ATOM 931 OD1 ASP A 64 -4.942 6.750 0.188 1.00 0.00 O ATOM 932 OD2 ASP A 64 -5.294 8.873 0.222 1.00 0.00 O ATOM 0 H ASP A 64 -2.851 7.129 1.285 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.182 6.698 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.086 7.686 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.681 8.733 2.676 1.00 0.00 H new ATOM 937 N PHE A 65 -6.002 4.953 2.652 1.00 0.00 N ATOM 938 CA PHE A 65 -6.514 3.656 2.204 1.00 0.00 C ATOM 939 C PHE A 65 -6.884 3.679 0.708 1.00 0.00 C ATOM 940 O PHE A 65 -6.502 2.765 -0.022 1.00 0.00 O ATOM 941 CB PHE A 65 -7.694 3.177 3.072 1.00 0.00 C ATOM 942 CG PHE A 65 -8.418 2.094 2.324 1.00 0.00 C ATOM 943 CD1 PHE A 65 -7.856 0.822 2.252 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.613 2.375 1.661 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.490 -0.177 1.526 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.257 1.372 0.931 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.697 0.094 0.864 1.00 0.00 C ATOM 0 H PHE A 65 -6.653 5.528 3.187 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.709 2.932 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.334 2.802 4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.368 4.006 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.927 0.613 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.040 3.366 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.054 -1.163 1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.185 1.584 0.420 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.193 -0.685 0.303 1.00 0.00 H new ATOM 957 N PRO A 66 -7.609 4.662 0.219 1.00 0.00 N ATOM 958 CA PRO A 66 -7.992 4.696 -1.225 1.00 0.00 C ATOM 959 C PRO A 66 -6.779 4.592 -2.141 1.00 0.00 C ATOM 960 O PRO A 66 -6.769 3.802 -3.084 1.00 0.00 O ATOM 961 CB PRO A 66 -8.693 6.051 -1.384 1.00 0.00 C ATOM 962 CG PRO A 66 -9.196 6.370 -0.021 1.00 0.00 C ATOM 963 CD PRO A 66 -8.138 5.833 0.939 1.00 0.00 C ATOM 0 HA PRO A 66 -8.625 3.853 -1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.003 6.815 -1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.508 5.994 -2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.332 7.444 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.164 5.902 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.361 6.571 1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.568 5.556 1.901 1.00 0.00 H new ATOM 971 N GLU A 67 -5.751 5.381 -1.850 1.00 0.00 N ATOM 972 CA GLU A 67 -4.546 5.341 -2.657 1.00 0.00 C ATOM 973 C GLU A 67 -4.031 3.917 -2.681 1.00 0.00 C ATOM 974 O GLU A 67 -3.779 3.349 -3.740 1.00 0.00 O ATOM 975 CB GLU A 67 -3.474 6.250 -2.056 1.00 0.00 C ATOM 976 CG GLU A 67 -2.244 6.270 -2.963 1.00 0.00 C ATOM 977 CD GLU A 67 -1.191 7.209 -2.385 1.00 0.00 C ATOM 978 OE1 GLU A 67 -0.936 7.117 -1.196 1.00 0.00 O ATOM 979 OE2 GLU A 67 -0.658 8.006 -3.138 1.00 0.00 O ATOM 0 H GLU A 67 -5.730 6.044 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.774 5.685 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.866 7.260 -1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.199 5.896 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.835 5.264 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.525 6.596 -3.965 1.00 0.00 H new ATOM 986 N PHE A 68 -3.918 3.350 -1.490 1.00 0.00 N ATOM 987 CA PHE A 68 -3.470 1.981 -1.322 1.00 0.00 C ATOM 988 C PHE A 68 -4.381 1.038 -2.116 1.00 0.00 C ATOM 989 O PHE A 68 -3.902 0.124 -2.785 1.00 0.00 O ATOM 990 CB PHE A 68 -3.475 1.655 0.178 1.00 0.00 C ATOM 991 CG PHE A 68 -3.330 0.176 0.433 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.062 -0.410 0.537 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.476 -0.603 0.606 1.00 0.00 C ATOM 994 CE1 PHE A 68 -1.947 -1.778 0.818 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.359 -1.964 0.878 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.100 -2.553 0.988 1.00 0.00 C ATOM 0 H PHE A 68 -4.135 3.827 -0.615 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.458 1.851 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.661 2.189 0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.404 2.011 0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.175 0.191 0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.453 -0.150 0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.971 -2.233 0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.247 -2.566 1.004 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.014 -3.608 1.204 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.697 1.264 -2.054 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.628 0.419 -2.808 1.00 0.00 C ATOM 1008 C LEU A 69 -6.402 0.601 -4.317 1.00 0.00 C ATOM 1009 O LEU A 69 -6.234 -0.368 -5.055 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.081 0.794 -2.460 1.00 0.00 C ATOM 1011 CG LEU A 69 -9.028 -0.403 -2.689 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -8.925 -0.900 -4.133 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -8.690 -1.557 -1.722 1.00 0.00 C ATOM 0 H LEU A 69 -6.133 2.005 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.449 -0.622 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.139 1.115 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.400 1.638 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.047 -0.067 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.600 -1.744 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.200 -0.096 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.902 -1.215 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.369 -2.391 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.663 -1.883 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.799 -1.213 -0.693 1.00 0.00 H new ATOM 1025 N ASN A 70 -6.379 1.860 -4.759 1.00 0.00 N ATOM 1026 CA ASN A 70 -6.168 2.167 -6.175 1.00 0.00 C ATOM 1027 C ASN A 70 -4.863 1.537 -6.620 1.00 0.00 C ATOM 1028 O ASN A 70 -4.762 0.906 -7.673 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.027 3.686 -6.342 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.376 4.385 -6.239 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.421 3.756 -6.399 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.405 5.664 -5.980 1.00 0.00 N ATOM 0 H ASN A 70 -6.503 2.678 -4.162 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.006 1.789 -6.760 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.354 4.076 -5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.574 3.907 -7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.299 6.150 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.534 6.178 -5.849 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.885 1.726 -5.766 1.00 0.00 N ATOM 1040 CA LEU A 71 -2.543 1.221 -5.953 1.00 0.00 C ATOM 1041 C LEU A 71 -2.564 -0.300 -6.055 1.00 0.00 C ATOM 1042 O LEU A 71 -1.970 -0.885 -6.961 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.788 1.709 -4.716 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.423 1.021 -4.508 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.594 2.043 -3.945 1.00 0.00 C ATOM 1046 CD2 LEU A 71 -0.560 -0.136 -3.504 1.00 0.00 C ATOM 0 H LEU A 71 -4.003 2.249 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.070 1.568 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.633 2.785 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.407 1.541 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.078 0.636 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.558 1.555 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.708 2.868 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.233 2.427 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.410 -0.614 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.914 0.251 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.273 -0.866 -3.886 1.00 0.00 H new ATOM 1058 N MET A 72 -3.289 -0.920 -5.142 1.00 0.00 N ATOM 1059 CA MET A 72 -3.430 -2.370 -5.137 1.00 0.00 C ATOM 1060 C MET A 72 -4.228 -2.846 -6.355 1.00 0.00 C ATOM 1061 O MET A 72 -3.853 -3.818 -7.013 1.00 0.00 O ATOM 1062 CB MET A 72 -4.171 -2.798 -3.864 1.00 0.00 C ATOM 1063 CG MET A 72 -3.209 -2.884 -2.671 1.00 0.00 C ATOM 1064 SD MET A 72 -1.973 -4.183 -2.950 1.00 0.00 S ATOM 1065 CE MET A 72 -1.906 -4.828 -1.258 1.00 0.00 C ATOM 0 H MET A 72 -3.791 -0.444 -4.392 1.00 0.00 H new ATOM 0 HA MET A 72 -2.435 -2.815 -5.171 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.966 -2.085 -3.644 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.646 -3.766 -4.023 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.712 -1.925 -2.526 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.768 -3.094 -1.759 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.457 -5.821 -1.265 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.305 -4.163 -0.638 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.916 -4.889 -0.851 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.339 -2.168 -6.634 1.00 0.00 N ATOM 1076 CA ALA A 73 -6.191 -2.550 -7.752 1.00 0.00 C ATOM 1077 C ALA A 73 -5.398 -2.492 -9.049 1.00 0.00 C ATOM 1078 O ALA A 73 -5.515 -3.369 -9.906 1.00 0.00 O ATOM 1079 CB ALA A 73 -7.387 -1.602 -7.853 1.00 0.00 C ATOM 0 H ALA A 73 -5.666 -1.359 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.549 -3.566 -7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.016 -1.898 -8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.967 -1.648 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.032 -0.583 -8.008 1.00 0.00 H new