USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 879 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 103 ASN : amide:sc= 0.558 K(o=1.2,f=-0.59) USER MOD Set 1.2: A 107 GLN : amide:sc= 0.619 K(o=1.2,f=-0.59) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.06 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0.0811 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 11 THR OG1 : rot -80:sc= 0.812 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.959 K(o=0.96,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.3) USER MOD Single : A 22 SER OG : rot 100:sc= -0.0325 USER MOD Single : A 25 GLN : amide:sc= -0.0335 X(o=-0.034,f=-0.034) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -157:sc= -1.13 (180deg=-1.99!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.063) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.319 K(o=-0.32,f=-3.1!) USER MOD Single : A 54 SER OG : rot 73:sc= 0.898 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 62 SER OG : rot 180:sc=0.000878 USER MOD Single : A 64 ASN : amide:sc= 0.133 K(o=0.13,f=-1.7!) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.0102 (180deg=-0.112) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -2.05! K(o=-2!,f=0.15) USER MOD Single : A 71 MET CE :methyl -129:sc=-0.000631 (180deg=-0.124) USER MOD Single : A 75 SER OG : rot 72:sc= 1.28 USER MOD Single : A 76 SER OG : rot 160:sc= 0.0878 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.19) USER MOD Single : A 94 THR OG1 : rot -80:sc= 1.19 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -130:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -80:sc= 0.0642 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0532 USER MOD Single : A 113 ASN : amide:sc= -0.363 K(o=-0.36,f=-2.6!) USER MOD Single : A 114 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.14) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot -50:sc= 1.29 USER MOD Single : A 122 GLN : amide:sc=-0.00199 K(o=-0.002,f=-1.5!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 165:sc= -0.0179 (180deg=-0.294) USER MOD Single : A 129 GLN : amide:sc= -0.445 K(o=-0.45,f=-2) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 11.662 3.276 4.743 1.00 23.42 N ATOM 83 CA THR A 8 10.474 2.606 4.240 1.00 70.42 C ATOM 84 C THR A 8 10.922 1.326 3.542 1.00 3.02 C ATOM 85 O THR A 8 11.987 1.341 2.930 1.00 64.33 O ATOM 86 CB THR A 8 9.715 3.536 3.268 1.00 52.32 C ATOM 87 OG1 THR A 8 8.488 2.962 2.889 1.00 72.43 O ATOM 88 CG2 THR A 8 10.441 3.979 1.999 1.00 13.11 C ATOM 0 HA THR A 8 9.793 2.360 5.055 1.00 70.42 H new ATOM 0 HB THR A 8 9.596 4.443 3.861 1.00 52.32 H new ATOM 0 HG1 THR A 8 8.020 3.566 2.275 1.00 72.43 H new ATOM 0 HG21 THR A 8 9.788 4.627 1.414 1.00 13.11 H new ATOM 0 HG22 THR A 8 11.346 4.524 2.269 1.00 13.11 H new ATOM 0 HG23 THR A 8 10.708 3.103 1.408 1.00 13.11 H new ATOM 96 N PRO A 9 10.139 0.235 3.546 1.00 12.45 N ATOM 97 CA PRO A 9 10.535 -0.979 2.845 1.00 31.14 C ATOM 98 C PRO A 9 10.628 -0.719 1.331 1.00 64.21 C ATOM 99 O PRO A 9 11.310 -1.457 0.626 1.00 63.21 O ATOM 100 CB PRO A 9 9.486 -2.034 3.206 1.00 53.20 C ATOM 101 CG PRO A 9 8.271 -1.210 3.627 1.00 43.13 C ATOM 102 CD PRO A 9 8.871 0.052 4.228 1.00 23.01 C ATOM 0 HA PRO A 9 11.526 -1.325 3.140 1.00 31.14 H new ATOM 0 HB2 PRO A 9 9.258 -2.678 2.357 1.00 53.20 H new ATOM 0 HB3 PRO A 9 9.830 -2.681 4.013 1.00 53.20 H new ATOM 0 HG2 PRO A 9 7.630 -0.981 2.776 1.00 43.13 H new ATOM 0 HG3 PRO A 9 7.658 -1.745 4.352 1.00 43.13 H new ATOM 0 HD2 PRO A 9 8.216 0.910 4.077 1.00 23.01 H new ATOM 0 HD3 PRO A 9 9.014 -0.054 5.303 1.00 23.01 H new ATOM 110 N TRP A 10 9.981 0.347 0.833 1.00 63.42 N ATOM 111 CA TRP A 10 9.981 0.746 -0.565 1.00 73.34 C ATOM 112 C TRP A 10 11.381 1.174 -1.026 1.00 52.44 C ATOM 113 O TRP A 10 11.599 1.322 -2.228 1.00 14.54 O ATOM 114 CB TRP A 10 8.980 1.891 -0.795 1.00 44.31 C ATOM 115 CG TRP A 10 7.525 1.601 -0.574 1.00 42.12 C ATOM 116 CD1 TRP A 10 6.928 1.273 0.596 1.00 74.45 C ATOM 117 CD2 TRP A 10 6.451 1.692 -1.552 1.00 43.34 C ATOM 118 NE1 TRP A 10 5.572 1.093 0.392 1.00 13.11 N ATOM 119 CE2 TRP A 10 5.221 1.374 -0.908 1.00 53.05 C ATOM 120 CE3 TRP A 10 6.393 2.026 -2.921 1.00 2.42 C ATOM 121 CZ2 TRP A 10 3.995 1.404 -1.582 1.00 34.13 C ATOM 122 CZ3 TRP A 10 5.168 2.040 -3.607 1.00 51.21 C ATOM 123 CH2 TRP A 10 3.968 1.744 -2.940 1.00 72.10 C ATOM 0 H TRP A 10 9.427 0.970 1.421 1.00 63.42 H new ATOM 0 HA TRP A 10 9.679 -0.119 -1.156 1.00 73.34 H new ATOM 0 HB2 TRP A 10 9.260 2.717 -0.142 1.00 44.31 H new ATOM 0 HB3 TRP A 10 9.100 2.240 -1.820 1.00 44.31 H new ATOM 0 HD1 TRP A 10 7.434 1.168 1.544 1.00 74.45 H new ATOM 0 HE1 TRP A 10 4.917 0.791 1.113 1.00 13.11 H new ATOM 0 HE3 TRP A 10 7.302 2.274 -3.448 1.00 2.42 H new ATOM 0 HZ2 TRP A 10 3.079 1.167 -1.060 1.00 34.13 H new ATOM 0 HZ3 TRP A 10 5.148 2.281 -4.660 1.00 51.21 H new ATOM 0 HH2 TRP A 10 3.029 1.778 -3.472 1.00 72.10 H new ATOM 134 N THR A 11 12.339 1.399 -0.120 1.00 73.11 N ATOM 135 CA THR A 11 13.689 1.787 -0.525 1.00 40.31 C ATOM 136 C THR A 11 14.421 0.719 -1.348 1.00 35.20 C ATOM 137 O THR A 11 15.337 1.069 -2.100 1.00 11.41 O ATOM 138 CB THR A 11 14.555 2.131 0.687 1.00 74.11 C ATOM 139 OG1 THR A 11 14.528 1.074 1.616 1.00 61.42 O ATOM 140 CG2 THR A 11 14.097 3.418 1.361 1.00 74.23 C ATOM 0 H THR A 11 12.204 1.319 0.888 1.00 73.11 H new ATOM 0 HA THR A 11 13.546 2.662 -1.159 1.00 40.31 H new ATOM 0 HB THR A 11 15.574 2.282 0.331 1.00 74.11 H new ATOM 0 HG1 THR A 11 13.705 1.125 2.145 1.00 61.42 H new ATOM 0 HG21 THR A 11 14.737 3.628 2.218 1.00 74.23 H new ATOM 0 HG22 THR A 11 14.159 4.243 0.651 1.00 74.23 H new ATOM 0 HG23 THR A 11 13.066 3.306 1.698 1.00 74.23 H new ATOM 148 N ASN A 12 14.053 -0.559 -1.234 1.00 30.15 N ATOM 149 CA ASN A 12 14.695 -1.660 -1.959 1.00 35.33 C ATOM 150 C ASN A 12 13.621 -2.574 -2.551 1.00 10.50 C ATOM 151 O ASN A 12 12.641 -2.855 -1.865 1.00 45.45 O ATOM 152 CB ASN A 12 15.649 -2.440 -1.051 1.00 31.22 C ATOM 153 CG ASN A 12 16.821 -1.608 -0.562 1.00 2.03 C ATOM 154 OD1 ASN A 12 16.892 -1.257 0.615 1.00 61.21 O ATOM 155 ND2 ASN A 12 17.767 -1.268 -1.418 1.00 30.04 N ATOM 0 H ASN A 12 13.291 -0.863 -0.628 1.00 30.15 H new ATOM 0 HA ASN A 12 15.294 -1.247 -2.771 1.00 35.33 H new ATOM 0 HB2 ASN A 12 15.095 -2.817 -0.191 1.00 31.22 H new ATOM 0 HB3 ASN A 12 16.028 -3.307 -1.592 1.00 31.22 H new ATOM 0 HD21 ASN A 12 18.562 -0.711 -1.105 1.00 30.04 H new ATOM 0 HD22 ASN A 12 17.703 -1.562 -2.393 1.00 30.04 H new ATOM 162 N PRO A 13 13.752 -3.034 -3.808 1.00 42.33 N ATOM 163 CA PRO A 13 12.743 -3.877 -4.439 1.00 22.50 C ATOM 164 C PRO A 13 12.533 -5.234 -3.758 1.00 42.41 C ATOM 165 O PRO A 13 11.387 -5.660 -3.655 1.00 2.02 O ATOM 166 CB PRO A 13 13.168 -4.005 -5.902 1.00 4.34 C ATOM 167 CG PRO A 13 14.682 -3.808 -5.854 1.00 73.41 C ATOM 168 CD PRO A 13 14.861 -2.797 -4.722 1.00 41.15 C ATOM 0 HA PRO A 13 11.760 -3.415 -4.345 1.00 22.50 H new ATOM 0 HB2 PRO A 13 12.903 -4.979 -6.313 1.00 4.34 H new ATOM 0 HB3 PRO A 13 12.685 -3.254 -6.527 1.00 4.34 H new ATOM 0 HG2 PRO A 13 15.204 -4.742 -5.647 1.00 73.41 H new ATOM 0 HG3 PRO A 13 15.070 -3.428 -6.799 1.00 73.41 H new ATOM 0 HD2 PRO A 13 15.819 -2.935 -4.221 1.00 41.15 H new ATOM 0 HD3 PRO A 13 14.845 -1.776 -5.102 1.00 41.15 H new ATOM 176 N GLY A 14 13.583 -5.907 -3.276 1.00 54.44 N ATOM 177 CA GLY A 14 13.434 -7.200 -2.613 1.00 31.13 C ATOM 178 C GLY A 14 12.720 -7.039 -1.273 1.00 1.31 C ATOM 179 O GLY A 14 11.859 -7.845 -0.910 1.00 42.11 O ATOM 0 H GLY A 14 14.545 -5.574 -3.334 1.00 54.44 H new ATOM 0 HA2 GLY A 14 12.870 -7.879 -3.252 1.00 31.13 H new ATOM 0 HA3 GLY A 14 14.415 -7.650 -2.457 1.00 31.13 H new ATOM 183 N LEU A 15 13.057 -5.977 -0.537 1.00 10.44 N ATOM 184 CA LEU A 15 12.442 -5.677 0.750 1.00 52.33 C ATOM 185 C LEU A 15 10.968 -5.340 0.510 1.00 64.31 C ATOM 186 O LEU A 15 10.103 -5.824 1.241 1.00 75.21 O ATOM 187 CB LEU A 15 13.199 -4.534 1.437 1.00 34.23 C ATOM 188 CG LEU A 15 12.647 -4.166 2.827 1.00 44.35 C ATOM 189 CD1 LEU A 15 12.548 -5.362 3.782 1.00 31.53 C ATOM 190 CD2 LEU A 15 13.562 -3.098 3.446 1.00 55.20 C ATOM 0 H LEU A 15 13.766 -5.302 -0.821 1.00 10.44 H new ATOM 0 HA LEU A 15 12.495 -6.536 1.419 1.00 52.33 H new ATOM 0 HB2 LEU A 15 14.248 -4.814 1.536 1.00 34.23 H new ATOM 0 HB3 LEU A 15 13.163 -3.652 0.798 1.00 34.23 H new ATOM 0 HG LEU A 15 11.631 -3.796 2.686 1.00 44.35 H new ATOM 0 HD11 LEU A 15 12.152 -5.030 4.742 1.00 31.53 H new ATOM 0 HD12 LEU A 15 11.884 -6.114 3.356 1.00 31.53 H new ATOM 0 HD13 LEU A 15 13.538 -5.794 3.928 1.00 31.53 H new ATOM 0 HD21 LEU A 15 13.187 -2.824 4.432 1.00 55.20 H new ATOM 0 HD22 LEU A 15 14.573 -3.495 3.540 1.00 55.20 H new ATOM 0 HD23 LEU A 15 13.577 -2.216 2.806 1.00 55.20 H new ATOM 202 N ALA A 16 10.689 -4.546 -0.531 1.00 64.11 N ATOM 203 CA ALA A 16 9.344 -4.161 -0.913 1.00 31.11 C ATOM 204 C ALA A 16 8.566 -5.431 -1.241 1.00 12.24 C ATOM 205 O ALA A 16 7.482 -5.618 -0.708 1.00 11.21 O ATOM 206 CB ALA A 16 9.368 -3.213 -2.116 1.00 2.43 C ATOM 0 H ALA A 16 11.410 -4.152 -1.135 1.00 64.11 H new ATOM 0 HA ALA A 16 8.862 -3.628 -0.093 1.00 31.11 H new ATOM 0 HB1 ALA A 16 8.348 -2.939 -2.383 1.00 2.43 H new ATOM 0 HB2 ALA A 16 9.930 -2.315 -1.860 1.00 2.43 H new ATOM 0 HB3 ALA A 16 9.843 -3.710 -2.962 1.00 2.43 H new ATOM 212 N GLU A 17 9.119 -6.322 -2.068 1.00 42.52 N ATOM 213 CA GLU A 17 8.495 -7.578 -2.463 1.00 3.32 C ATOM 214 C GLU A 17 8.076 -8.383 -1.229 1.00 41.02 C ATOM 215 O GLU A 17 6.947 -8.874 -1.186 1.00 63.22 O ATOM 216 CB GLU A 17 9.453 -8.365 -3.374 1.00 75.41 C ATOM 217 CG GLU A 17 8.904 -9.746 -3.765 1.00 22.32 C ATOM 218 CD GLU A 17 9.824 -10.486 -4.734 1.00 71.24 C ATOM 219 OE1 GLU A 17 10.235 -9.897 -5.757 1.00 71.30 O ATOM 220 OE2 GLU A 17 10.089 -11.693 -4.529 1.00 4.41 O ATOM 0 H GLU A 17 10.037 -6.182 -2.490 1.00 42.52 H new ATOM 0 HA GLU A 17 7.586 -7.373 -3.029 1.00 3.32 H new ATOM 0 HB2 GLU A 17 9.645 -7.786 -4.278 1.00 75.41 H new ATOM 0 HB3 GLU A 17 10.409 -8.490 -2.866 1.00 75.41 H new ATOM 0 HG2 GLU A 17 8.768 -10.348 -2.866 1.00 22.32 H new ATOM 0 HG3 GLU A 17 7.921 -9.627 -4.221 1.00 22.32 H new ATOM 227 N ASN A 18 8.952 -8.501 -0.225 1.00 11.31 N ATOM 228 CA ASN A 18 8.666 -9.243 1.002 1.00 63.40 C ATOM 229 C ASN A 18 7.534 -8.580 1.786 1.00 13.31 C ATOM 230 O ASN A 18 6.595 -9.248 2.219 1.00 61.13 O ATOM 231 CB ASN A 18 9.925 -9.363 1.876 1.00 71.24 C ATOM 232 CG ASN A 18 10.796 -10.535 1.447 1.00 33.32 C ATOM 233 OD1 ASN A 18 10.684 -11.627 1.998 1.00 11.45 O ATOM 234 ND2 ASN A 18 11.666 -10.359 0.470 1.00 12.33 N ATOM 0 H ASN A 18 9.882 -8.082 -0.243 1.00 11.31 H new ATOM 0 HA ASN A 18 8.348 -10.247 0.720 1.00 63.40 H new ATOM 0 HB2 ASN A 18 10.501 -8.440 1.814 1.00 71.24 H new ATOM 0 HB3 ASN A 18 9.634 -9.488 2.919 1.00 71.24 H new ATOM 0 HD21 ASN A 18 12.254 -11.134 0.165 1.00 12.33 H new ATOM 0 HD22 ASN A 18 11.750 -9.448 0.020 1.00 12.33 H new ATOM 241 N PHE A 19 7.600 -7.262 1.976 1.00 11.01 N ATOM 242 CA PHE A 19 6.586 -6.504 2.702 1.00 4.23 C ATOM 243 C PHE A 19 5.228 -6.587 1.998 1.00 21.12 C ATOM 244 O PHE A 19 4.191 -6.792 2.635 1.00 4.13 O ATOM 245 CB PHE A 19 7.080 -5.061 2.830 1.00 4.43 C ATOM 246 CG PHE A 19 6.112 -4.108 3.495 1.00 12.33 C ATOM 247 CD1 PHE A 19 5.721 -2.934 2.824 1.00 4.41 C ATOM 248 CD2 PHE A 19 5.645 -4.362 4.801 1.00 41.10 C ATOM 249 CE1 PHE A 19 4.932 -1.983 3.494 1.00 65.34 C ATOM 250 CE2 PHE A 19 4.802 -3.434 5.437 1.00 11.44 C ATOM 251 CZ PHE A 19 4.458 -2.235 4.790 1.00 32.02 C ATOM 0 H PHE A 19 8.367 -6.687 1.626 1.00 11.01 H new ATOM 0 HA PHE A 19 6.437 -6.924 3.697 1.00 4.23 H new ATOM 0 HB2 PHE A 19 8.012 -5.061 3.396 1.00 4.43 H new ATOM 0 HB3 PHE A 19 7.312 -4.683 1.834 1.00 4.43 H new ATOM 0 HD1 PHE A 19 6.025 -2.765 1.802 1.00 4.41 H new ATOM 0 HD2 PHE A 19 5.935 -5.268 5.312 1.00 41.10 H new ATOM 0 HE1 PHE A 19 4.689 -1.050 3.007 1.00 65.34 H new ATOM 0 HE2 PHE A 19 4.418 -3.643 6.425 1.00 11.44 H new ATOM 0 HZ PHE A 19 3.831 -1.510 5.289 1.00 32.02 H new ATOM 261 N LEU A 20 5.227 -6.433 0.675 1.00 5.41 N ATOM 262 CA LEU A 20 4.051 -6.491 -0.178 1.00 44.23 C ATOM 263 C LEU A 20 3.456 -7.889 -0.105 1.00 13.14 C ATOM 264 O LEU A 20 2.235 -8.005 0.007 1.00 75.23 O ATOM 265 CB LEU A 20 4.428 -6.143 -1.623 1.00 53.41 C ATOM 266 CG LEU A 20 4.719 -4.649 -1.856 1.00 3.43 C ATOM 267 CD1 LEU A 20 5.354 -4.509 -3.238 1.00 40.22 C ATOM 268 CD2 LEU A 20 3.472 -3.763 -1.761 1.00 25.34 C ATOM 0 H LEU A 20 6.084 -6.257 0.150 1.00 5.41 H new ATOM 0 HA LEU A 20 3.313 -5.766 0.164 1.00 44.23 H new ATOM 0 HB2 LEU A 20 5.307 -6.722 -1.907 1.00 53.41 H new ATOM 0 HB3 LEU A 20 3.617 -6.451 -2.283 1.00 53.41 H new ATOM 0 HG LEU A 20 5.388 -4.306 -1.067 1.00 3.43 H new ATOM 0 HD11 LEU A 20 5.573 -3.459 -3.433 1.00 40.22 H new ATOM 0 HD12 LEU A 20 6.279 -5.085 -3.274 1.00 40.22 H new ATOM 0 HD13 LEU A 20 4.664 -4.883 -3.995 1.00 40.22 H new ATOM 0 HD21 LEU A 20 3.750 -2.724 -1.935 1.00 25.34 H new ATOM 0 HD22 LEU A 20 2.746 -4.075 -2.511 1.00 25.34 H new ATOM 0 HD23 LEU A 20 3.032 -3.859 -0.768 1.00 25.34 H new ATOM 280 N ASN A 21 4.297 -8.927 -0.156 1.00 34.24 N ATOM 281 CA ASN A 21 3.884 -10.323 -0.068 1.00 1.23 C ATOM 282 C ASN A 21 3.176 -10.512 1.265 1.00 54.01 C ATOM 283 O ASN A 21 2.036 -10.966 1.286 1.00 72.24 O ATOM 284 CB ASN A 21 5.093 -11.267 -0.183 1.00 73.32 C ATOM 285 CG ASN A 21 4.776 -12.686 0.283 1.00 22.35 C ATOM 286 OD1 ASN A 21 4.699 -12.950 1.480 1.00 72.04 O ATOM 287 ND2 ASN A 21 4.619 -13.631 -0.624 1.00 21.41 N ATOM 0 H ASN A 21 5.305 -8.813 -0.262 1.00 34.24 H new ATOM 0 HA ASN A 21 3.213 -10.567 -0.892 1.00 1.23 H new ATOM 0 HB2 ASN A 21 5.430 -11.296 -1.219 1.00 73.32 H new ATOM 0 HB3 ASN A 21 5.917 -10.870 0.409 1.00 73.32 H new ATOM 0 HD21 ASN A 21 4.432 -14.591 -0.333 1.00 21.41 H new ATOM 0 HD22 ASN A 21 4.685 -13.402 -1.616 1.00 21.41 H new ATOM 294 N SER A 22 3.804 -10.095 2.369 1.00 71.34 N ATOM 295 CA SER A 22 3.212 -10.240 3.684 1.00 63.51 C ATOM 296 C SER A 22 1.889 -9.476 3.796 1.00 60.42 C ATOM 297 O SER A 22 0.995 -9.920 4.520 1.00 25.51 O ATOM 298 CB SER A 22 4.208 -9.840 4.769 1.00 43.45 C ATOM 299 OG SER A 22 3.796 -10.464 5.966 1.00 44.11 O ATOM 0 H SER A 22 4.724 -9.655 2.368 1.00 71.34 H new ATOM 0 HA SER A 22 2.971 -11.292 3.835 1.00 63.51 H new ATOM 0 HB2 SER A 22 5.217 -10.153 4.499 1.00 43.45 H new ATOM 0 HB3 SER A 22 4.232 -8.757 4.889 1.00 43.45 H new ATOM 0 HG SER A 22 4.335 -11.268 6.118 1.00 44.11 H new ATOM 305 N PHE A 23 1.736 -8.325 3.133 1.00 61.30 N ATOM 306 CA PHE A 23 0.483 -7.583 3.183 1.00 34.32 C ATOM 307 C PHE A 23 -0.607 -8.441 2.540 1.00 3.14 C ATOM 308 O PHE A 23 -1.660 -8.623 3.148 1.00 30.11 O ATOM 309 CB PHE A 23 0.615 -6.206 2.519 1.00 11.30 C ATOM 310 CG PHE A 23 -0.717 -5.503 2.322 1.00 74.42 C ATOM 311 CD1 PHE A 23 -1.236 -5.328 1.025 1.00 62.41 C ATOM 312 CD2 PHE A 23 -1.472 -5.079 3.433 1.00 40.34 C ATOM 313 CE1 PHE A 23 -2.491 -4.728 0.837 1.00 14.43 C ATOM 314 CE2 PHE A 23 -2.731 -4.480 3.243 1.00 35.32 C ATOM 315 CZ PHE A 23 -3.241 -4.302 1.946 1.00 50.41 C ATOM 0 H PHE A 23 2.462 -7.894 2.561 1.00 61.30 H new ATOM 0 HA PHE A 23 0.211 -7.381 4.219 1.00 34.32 H new ATOM 0 HB2 PHE A 23 1.263 -5.577 3.129 1.00 11.30 H new ATOM 0 HB3 PHE A 23 1.103 -6.322 1.551 1.00 11.30 H new ATOM 0 HD1 PHE A 23 -0.665 -5.657 0.169 1.00 62.41 H new ATOM 0 HD2 PHE A 23 -1.084 -5.214 4.432 1.00 40.34 H new ATOM 0 HE1 PHE A 23 -2.881 -4.594 -0.161 1.00 14.43 H new ATOM 0 HE2 PHE A 23 -3.307 -4.156 4.097 1.00 35.32 H new ATOM 0 HZ PHE A 23 -4.206 -3.839 1.802 1.00 50.41 H new ATOM 325 N LEU A 24 -0.338 -8.982 1.350 1.00 44.13 N ATOM 326 CA LEU A 24 -1.266 -9.830 0.599 1.00 32.04 C ATOM 327 C LEU A 24 -1.614 -11.079 1.415 1.00 23.13 C ATOM 328 O LEU A 24 -2.793 -11.372 1.598 1.00 61.03 O ATOM 329 CB LEU A 24 -0.681 -10.231 -0.770 1.00 3.22 C ATOM 330 CG LEU A 24 -0.405 -9.058 -1.729 1.00 61.24 C ATOM 331 CD1 LEU A 24 0.569 -9.473 -2.835 1.00 43.14 C ATOM 332 CD2 LEU A 24 -1.654 -8.469 -2.386 1.00 12.23 C ATOM 0 H LEU A 24 0.551 -8.839 0.871 1.00 44.13 H new ATOM 0 HA LEU A 24 -2.175 -9.256 0.417 1.00 32.04 H new ATOM 0 HB2 LEU A 24 0.250 -10.773 -0.606 1.00 3.22 H new ATOM 0 HB3 LEU A 24 -1.371 -10.922 -1.255 1.00 3.22 H new ATOM 0 HG LEU A 24 0.026 -8.283 -1.095 1.00 61.24 H new ATOM 0 HD11 LEU A 24 0.747 -8.627 -3.499 1.00 43.14 H new ATOM 0 HD12 LEU A 24 1.512 -9.790 -2.389 1.00 43.14 H new ATOM 0 HD13 LEU A 24 0.142 -10.298 -3.405 1.00 43.14 H new ATOM 0 HD21 LEU A 24 -1.367 -7.649 -3.044 1.00 12.23 H new ATOM 0 HD22 LEU A 24 -2.158 -9.241 -2.967 1.00 12.23 H new ATOM 0 HD23 LEU A 24 -2.329 -8.096 -1.616 1.00 12.23 H new ATOM 344 N GLN A 25 -0.599 -11.771 1.948 1.00 43.35 N ATOM 345 CA GLN A 25 -0.723 -12.984 2.758 1.00 44.30 C ATOM 346 C GLN A 25 -1.620 -12.774 3.977 1.00 54.01 C ATOM 347 O GLN A 25 -2.292 -13.705 4.421 1.00 32.12 O ATOM 348 CB GLN A 25 0.671 -13.443 3.226 1.00 61.52 C ATOM 349 CG GLN A 25 1.485 -14.158 2.137 1.00 51.30 C ATOM 350 CD GLN A 25 0.915 -15.541 1.844 1.00 21.01 C ATOM 351 OE1 GLN A 25 0.225 -15.743 0.846 1.00 34.24 O ATOM 352 NE2 GLN A 25 1.158 -16.496 2.726 1.00 72.14 N ATOM 0 H GLN A 25 0.372 -11.486 1.819 1.00 43.35 H new ATOM 0 HA GLN A 25 -1.183 -13.748 2.131 1.00 44.30 H new ATOM 0 HB2 GLN A 25 1.231 -12.575 3.575 1.00 61.52 H new ATOM 0 HB3 GLN A 25 0.556 -14.112 4.079 1.00 61.52 H new ATOM 0 HG2 GLN A 25 1.483 -13.560 1.226 1.00 51.30 H new ATOM 0 HG3 GLN A 25 2.523 -14.249 2.456 1.00 51.30 H new ATOM 0 HE21 GLN A 25 1.734 -16.300 3.545 1.00 72.14 H new ATOM 0 HE22 GLN A 25 0.770 -17.429 2.588 1.00 72.14 H new ATOM 361 N GLY A 26 -1.615 -11.573 4.554 1.00 1.31 N ATOM 362 CA GLY A 26 -2.448 -11.281 5.704 1.00 64.35 C ATOM 363 C GLY A 26 -3.849 -10.919 5.237 1.00 3.30 C ATOM 364 O GLY A 26 -4.839 -11.470 5.712 1.00 32.55 O ATOM 0 H GLY A 26 -1.041 -10.791 4.239 1.00 1.31 H new ATOM 0 HA2 GLY A 26 -2.486 -12.145 6.367 1.00 64.35 H new ATOM 0 HA3 GLY A 26 -2.020 -10.458 6.277 1.00 64.35 H new ATOM 368 N LEU A 27 -3.930 -10.001 4.272 1.00 50.11 N ATOM 369 CA LEU A 27 -5.172 -9.506 3.702 1.00 24.00 C ATOM 370 C LEU A 27 -6.060 -10.619 3.145 1.00 42.10 C ATOM 371 O LEU A 27 -7.272 -10.513 3.294 1.00 63.32 O ATOM 372 CB LEU A 27 -4.854 -8.471 2.622 1.00 44.11 C ATOM 373 CG LEU A 27 -6.103 -7.687 2.180 1.00 30.45 C ATOM 374 CD1 LEU A 27 -6.415 -6.544 3.158 1.00 34.41 C ATOM 375 CD2 LEU A 27 -5.867 -7.152 0.776 1.00 22.15 C ATOM 0 H LEU A 27 -3.103 -9.572 3.857 1.00 50.11 H new ATOM 0 HA LEU A 27 -5.743 -9.042 4.506 1.00 24.00 H new ATOM 0 HB2 LEU A 27 -4.105 -7.775 2.998 1.00 44.11 H new ATOM 0 HB3 LEU A 27 -4.418 -8.973 1.758 1.00 44.11 H new ATOM 0 HG LEU A 27 -6.967 -8.351 2.179 1.00 30.45 H new ATOM 0 HD11 LEU A 27 -7.302 -6.008 2.820 1.00 34.41 H new ATOM 0 HD12 LEU A 27 -6.595 -6.954 4.152 1.00 34.41 H new ATOM 0 HD13 LEU A 27 -5.569 -5.858 3.197 1.00 34.41 H new ATOM 0 HD21 LEU A 27 -6.743 -6.593 0.447 1.00 22.15 H new ATOM 0 HD22 LEU A 27 -4.998 -6.495 0.779 1.00 22.15 H new ATOM 0 HD23 LEU A 27 -5.691 -7.984 0.094 1.00 22.15 H new ATOM 387 N SER A 28 -5.502 -11.677 2.551 1.00 22.22 N ATOM 388 CA SER A 28 -6.288 -12.773 1.988 1.00 14.12 C ATOM 389 C SER A 28 -7.165 -13.483 3.031 1.00 73.41 C ATOM 390 O SER A 28 -8.216 -14.034 2.689 1.00 11.24 O ATOM 391 CB SER A 28 -5.343 -13.792 1.331 1.00 21.34 C ATOM 392 OG SER A 28 -4.356 -14.235 2.239 1.00 32.54 O ATOM 0 H SER A 28 -4.494 -11.796 2.448 1.00 22.22 H new ATOM 0 HA SER A 28 -6.962 -12.338 1.250 1.00 14.12 H new ATOM 0 HB2 SER A 28 -5.918 -14.645 0.971 1.00 21.34 H new ATOM 0 HB3 SER A 28 -4.865 -13.340 0.462 1.00 21.34 H new ATOM 0 HG SER A 28 -3.770 -14.883 1.795 1.00 32.54 H new ATOM 398 N SER A 29 -6.715 -13.486 4.287 1.00 3.04 N ATOM 399 CA SER A 29 -7.359 -14.098 5.439 1.00 52.23 C ATOM 400 C SER A 29 -8.189 -13.075 6.233 1.00 52.52 C ATOM 401 O SER A 29 -9.019 -13.447 7.068 1.00 62.45 O ATOM 402 CB SER A 29 -6.214 -14.661 6.295 1.00 42.44 C ATOM 403 OG SER A 29 -6.629 -15.666 7.194 1.00 53.33 O ATOM 0 H SER A 29 -5.837 -13.032 4.537 1.00 3.04 H new ATOM 0 HA SER A 29 -8.060 -14.876 5.135 1.00 52.23 H new ATOM 0 HB2 SER A 29 -5.445 -15.067 5.638 1.00 42.44 H new ATOM 0 HB3 SER A 29 -5.756 -13.847 6.857 1.00 42.44 H new ATOM 0 HG SER A 29 -5.857 -15.984 7.708 1.00 53.33 H new ATOM 409 N MET A 30 -7.958 -11.779 6.018 1.00 5.42 N ATOM 410 CA MET A 30 -8.661 -10.713 6.713 1.00 51.21 C ATOM 411 C MET A 30 -10.008 -10.426 6.051 1.00 3.50 C ATOM 412 O MET A 30 -10.126 -10.526 4.833 1.00 71.35 O ATOM 413 CB MET A 30 -7.800 -9.445 6.705 1.00 21.01 C ATOM 414 CG MET A 30 -6.627 -9.603 7.677 1.00 71.30 C ATOM 415 SD MET A 30 -7.086 -9.558 9.427 1.00 41.04 S ATOM 416 CE MET A 30 -7.479 -7.803 9.557 1.00 51.44 C ATOM 0 H MET A 30 -7.268 -11.442 5.347 1.00 5.42 H new ATOM 0 HA MET A 30 -8.845 -11.029 7.740 1.00 51.21 H new ATOM 0 HB2 MET A 30 -7.426 -9.255 5.699 1.00 21.01 H new ATOM 0 HB3 MET A 30 -8.404 -8.583 6.988 1.00 21.01 H new ATOM 0 HG2 MET A 30 -6.126 -10.549 7.471 1.00 71.30 H new ATOM 0 HG3 MET A 30 -5.904 -8.811 7.484 1.00 71.30 H new ATOM 0 HE1 MET A 30 -7.388 -7.486 10.596 1.00 51.44 H new ATOM 0 HE2 MET A 30 -6.787 -7.229 8.941 1.00 51.44 H new ATOM 0 HE3 MET A 30 -8.499 -7.632 9.213 1.00 51.44 H new ATOM 426 N PRO A 31 -11.016 -9.970 6.812 1.00 3.34 N ATOM 427 CA PRO A 31 -12.344 -9.649 6.300 1.00 52.24 C ATOM 428 C PRO A 31 -12.380 -8.257 5.651 1.00 44.04 C ATOM 429 O PRO A 31 -13.157 -7.367 6.004 1.00 52.44 O ATOM 430 CB PRO A 31 -13.257 -9.775 7.507 1.00 65.24 C ATOM 431 CG PRO A 31 -12.367 -9.324 8.662 1.00 3.35 C ATOM 432 CD PRO A 31 -10.981 -9.817 8.258 1.00 72.45 C ATOM 0 HA PRO A 31 -12.660 -10.317 5.499 1.00 52.24 H new ATOM 0 HB2 PRO A 31 -14.142 -9.146 7.411 1.00 65.24 H new ATOM 0 HB3 PRO A 31 -13.607 -10.798 7.643 1.00 65.24 H new ATOM 0 HG2 PRO A 31 -12.388 -8.241 8.785 1.00 3.35 H new ATOM 0 HG3 PRO A 31 -12.687 -9.759 9.609 1.00 3.35 H new ATOM 0 HD2 PRO A 31 -10.211 -9.105 8.557 1.00 72.45 H new ATOM 0 HD3 PRO A 31 -10.746 -10.763 8.745 1.00 72.45 H new ATOM 440 N GLY A 32 -11.475 -8.061 4.707 1.00 12.41 N ATOM 441 CA GLY A 32 -11.293 -6.852 3.929 1.00 23.12 C ATOM 442 C GLY A 32 -11.604 -7.222 2.494 1.00 12.22 C ATOM 443 O GLY A 32 -12.718 -6.996 2.022 1.00 64.42 O ATOM 0 H GLY A 32 -10.808 -8.788 4.449 1.00 12.41 H new ATOM 0 HA2 GLY A 32 -11.955 -6.060 4.279 1.00 23.12 H new ATOM 0 HA3 GLY A 32 -10.273 -6.479 4.022 1.00 23.12 H new ATOM 447 N PHE A 33 -10.589 -7.712 1.794 1.00 25.34 N ATOM 448 CA PHE A 33 -10.673 -8.168 0.415 1.00 65.35 C ATOM 449 C PHE A 33 -10.764 -9.697 0.499 1.00 5.21 C ATOM 450 O PHE A 33 -10.717 -10.255 1.596 1.00 40.22 O ATOM 451 CB PHE A 33 -9.428 -7.712 -0.371 1.00 43.30 C ATOM 452 CG PHE A 33 -9.316 -6.212 -0.612 1.00 31.40 C ATOM 453 CD1 PHE A 33 -9.236 -5.321 0.473 1.00 25.24 C ATOM 454 CD2 PHE A 33 -9.262 -5.692 -1.922 1.00 22.34 C ATOM 455 CE1 PHE A 33 -9.220 -3.939 0.251 1.00 32.40 C ATOM 456 CE2 PHE A 33 -9.182 -4.306 -2.136 1.00 64.14 C ATOM 457 CZ PHE A 33 -9.201 -3.421 -1.051 1.00 54.31 C ATOM 0 H PHE A 33 -9.652 -7.806 2.186 1.00 25.34 H new ATOM 0 HA PHE A 33 -11.534 -7.754 -0.111 1.00 65.35 H new ATOM 0 HB2 PHE A 33 -8.539 -8.043 0.167 1.00 43.30 H new ATOM 0 HB3 PHE A 33 -9.424 -8.218 -1.336 1.00 43.30 H new ATOM 0 HD1 PHE A 33 -9.187 -5.704 1.481 1.00 25.24 H new ATOM 0 HD2 PHE A 33 -9.282 -6.364 -2.767 1.00 22.34 H new ATOM 0 HE1 PHE A 33 -9.222 -3.263 1.094 1.00 32.40 H new ATOM 0 HE2 PHE A 33 -9.105 -3.921 -3.142 1.00 64.14 H new ATOM 0 HZ PHE A 33 -9.201 -2.354 -1.215 1.00 54.31 H new ATOM 467 N THR A 34 -10.908 -10.392 -0.627 1.00 12.54 N ATOM 468 CA THR A 34 -10.981 -11.849 -0.621 1.00 55.21 C ATOM 469 C THR A 34 -9.955 -12.382 -1.617 1.00 75.43 C ATOM 470 O THR A 34 -9.459 -11.616 -2.450 1.00 11.30 O ATOM 471 CB THR A 34 -12.425 -12.339 -0.819 1.00 42.14 C ATOM 472 OG1 THR A 34 -12.895 -12.091 -2.129 1.00 33.32 O ATOM 473 CG2 THR A 34 -13.399 -11.669 0.159 1.00 12.21 C ATOM 0 H THR A 34 -10.976 -9.970 -1.553 1.00 12.54 H new ATOM 0 HA THR A 34 -10.712 -12.259 0.353 1.00 55.21 H new ATOM 0 HB THR A 34 -12.392 -13.413 -0.634 1.00 42.14 H new ATOM 0 HG1 THR A 34 -13.815 -12.418 -2.214 1.00 33.32 H new ATOM 0 HG21 THR A 34 -14.407 -12.045 -0.017 1.00 12.21 H new ATOM 0 HG22 THR A 34 -13.100 -11.896 1.182 1.00 12.21 H new ATOM 0 HG23 THR A 34 -13.382 -10.590 0.007 1.00 12.21 H new ATOM 481 N ALA A 35 -9.682 -13.690 -1.599 1.00 11.22 N ATOM 482 CA ALA A 35 -8.692 -14.326 -2.467 1.00 31.23 C ATOM 483 C ALA A 35 -8.843 -13.954 -3.946 1.00 60.10 C ATOM 484 O ALA A 35 -7.840 -13.699 -4.609 1.00 74.24 O ATOM 485 CB ALA A 35 -8.752 -15.840 -2.276 1.00 54.05 C ATOM 0 H ALA A 35 -10.150 -14.344 -0.972 1.00 11.22 H new ATOM 0 HA ALA A 35 -7.713 -13.949 -2.171 1.00 31.23 H new ATOM 0 HB1 ALA A 35 -8.015 -16.318 -2.922 1.00 54.05 H new ATOM 0 HB2 ALA A 35 -8.536 -16.084 -1.236 1.00 54.05 H new ATOM 0 HB3 ALA A 35 -9.748 -16.200 -2.534 1.00 54.05 H new ATOM 491 N SER A 36 -10.074 -13.854 -4.446 1.00 41.24 N ATOM 492 CA SER A 36 -10.357 -13.495 -5.830 1.00 43.23 C ATOM 493 C SER A 36 -9.764 -12.116 -6.162 1.00 61.44 C ATOM 494 O SER A 36 -9.175 -11.913 -7.222 1.00 61.22 O ATOM 495 CB SER A 36 -11.880 -13.502 -6.023 1.00 65.14 C ATOM 496 OG SER A 36 -12.465 -14.614 -5.360 1.00 22.51 O ATOM 0 H SER A 36 -10.913 -14.023 -3.891 1.00 41.24 H new ATOM 0 HA SER A 36 -9.898 -14.215 -6.507 1.00 43.23 H new ATOM 0 HB2 SER A 36 -12.305 -12.576 -5.635 1.00 65.14 H new ATOM 0 HB3 SER A 36 -12.117 -13.540 -7.086 1.00 65.14 H new ATOM 0 HG SER A 36 -13.436 -14.600 -5.493 1.00 22.51 H new ATOM 502 N GLN A 37 -9.919 -11.150 -5.255 1.00 52.41 N ATOM 503 CA GLN A 37 -9.414 -9.791 -5.418 1.00 34.04 C ATOM 504 C GLN A 37 -7.900 -9.760 -5.187 1.00 61.51 C ATOM 505 O GLN A 37 -7.187 -8.969 -5.805 1.00 24.32 O ATOM 506 CB GLN A 37 -10.119 -8.849 -4.425 1.00 14.13 C ATOM 507 CG GLN A 37 -11.645 -9.019 -4.296 1.00 53.31 C ATOM 508 CD GLN A 37 -12.397 -8.962 -5.627 1.00 32.13 C ATOM 509 OE1 GLN A 37 -12.152 -8.104 -6.469 1.00 35.53 O ATOM 510 NE2 GLN A 37 -13.341 -9.858 -5.857 1.00 42.14 N ATOM 0 H GLN A 37 -10.408 -11.296 -4.372 1.00 52.41 H new ATOM 0 HA GLN A 37 -9.620 -9.456 -6.434 1.00 34.04 H new ATOM 0 HB2 GLN A 37 -9.673 -8.992 -3.441 1.00 14.13 H new ATOM 0 HB3 GLN A 37 -9.912 -7.821 -4.722 1.00 14.13 H new ATOM 0 HG2 GLN A 37 -11.853 -9.974 -3.814 1.00 53.31 H new ATOM 0 HG3 GLN A 37 -12.032 -8.240 -3.639 1.00 53.31 H new ATOM 0 HE21 GLN A 37 -13.547 -10.573 -5.159 1.00 42.14 H new ATOM 0 HE22 GLN A 37 -13.864 -9.835 -6.733 1.00 42.14 H new ATOM 519 N LEU A 38 -7.378 -10.593 -4.280 1.00 41.33 N ATOM 520 CA LEU A 38 -5.946 -10.656 -3.984 1.00 54.21 C ATOM 521 C LEU A 38 -5.164 -11.146 -5.192 1.00 12.21 C ATOM 522 O LEU A 38 -3.984 -10.814 -5.316 1.00 50.25 O ATOM 523 CB LEU A 38 -5.675 -11.618 -2.808 1.00 51.14 C ATOM 524 CG LEU A 38 -5.595 -11.006 -1.404 1.00 73.12 C ATOM 525 CD1 LEU A 38 -4.502 -9.951 -1.330 1.00 11.40 C ATOM 526 CD2 LEU A 38 -6.920 -10.470 -0.866 1.00 71.13 C ATOM 0 H LEU A 38 -7.940 -11.243 -3.730 1.00 41.33 H new ATOM 0 HA LEU A 38 -5.624 -9.648 -3.722 1.00 54.21 H new ATOM 0 HB2 LEU A 38 -6.460 -12.374 -2.802 1.00 51.14 H new ATOM 0 HB3 LEU A 38 -4.736 -12.135 -3.005 1.00 51.14 H new ATOM 0 HG LEU A 38 -5.337 -11.834 -0.744 1.00 73.12 H new ATOM 0 HD11 LEU A 38 -4.467 -9.533 -0.324 1.00 11.40 H new ATOM 0 HD12 LEU A 38 -3.540 -10.406 -1.568 1.00 11.40 H new ATOM 0 HD13 LEU A 38 -4.714 -9.156 -2.045 1.00 11.40 H new ATOM 0 HD21 LEU A 38 -6.767 -10.057 0.131 1.00 71.13 H new ATOM 0 HD22 LEU A 38 -7.293 -9.689 -1.529 1.00 71.13 H new ATOM 0 HD23 LEU A 38 -7.647 -11.281 -0.815 1.00 71.13 H new ATOM 538 N ASP A 39 -5.793 -11.922 -6.071 1.00 64.23 N ATOM 539 CA ASP A 39 -5.131 -12.440 -7.254 1.00 42.14 C ATOM 540 C ASP A 39 -4.751 -11.293 -8.189 1.00 33.12 C ATOM 541 O ASP A 39 -3.660 -11.321 -8.761 1.00 21.22 O ATOM 542 CB ASP A 39 -5.998 -13.505 -7.949 1.00 61.12 C ATOM 543 CG ASP A 39 -5.386 -14.907 -7.907 1.00 35.44 C ATOM 544 OD1 ASP A 39 -6.132 -15.878 -8.160 1.00 22.12 O ATOM 545 OD2 ASP A 39 -4.152 -15.062 -7.724 1.00 14.44 O ATOM 0 H ASP A 39 -6.769 -12.205 -5.980 1.00 64.23 H new ATOM 0 HA ASP A 39 -4.208 -12.938 -6.957 1.00 42.14 H new ATOM 0 HB2 ASP A 39 -6.979 -13.530 -7.475 1.00 61.12 H new ATOM 0 HB3 ASP A 39 -6.153 -13.215 -8.988 1.00 61.12 H new ATOM 550 N ASP A 40 -5.608 -10.274 -8.344 1.00 54.42 N ATOM 551 CA ASP A 40 -5.277 -9.139 -9.213 1.00 74.41 C ATOM 552 C ASP A 40 -4.291 -8.220 -8.502 1.00 73.34 C ATOM 553 O ASP A 40 -3.325 -7.750 -9.108 1.00 12.35 O ATOM 554 CB ASP A 40 -6.501 -8.325 -9.665 1.00 74.24 C ATOM 555 CG ASP A 40 -6.137 -7.539 -10.934 1.00 12.31 C ATOM 556 OD1 ASP A 40 -5.527 -8.143 -11.851 1.00 30.44 O ATOM 557 OD2 ASP A 40 -6.406 -6.319 -11.022 1.00 21.41 O ATOM 0 H ASP A 40 -6.518 -10.213 -7.888 1.00 54.42 H new ATOM 0 HA ASP A 40 -4.835 -9.562 -10.115 1.00 74.41 H new ATOM 0 HB2 ASP A 40 -7.343 -8.989 -9.862 1.00 74.24 H new ATOM 0 HB3 ASP A 40 -6.812 -7.642 -8.875 1.00 74.24 H new ATOM 562 N LEU A 41 -4.497 -8.018 -7.192 1.00 12.23 N ATOM 563 CA LEU A 41 -3.632 -7.177 -6.369 1.00 74.23 C ATOM 564 C LEU A 41 -2.191 -7.689 -6.404 1.00 24.21 C ATOM 565 O LEU A 41 -1.270 -6.880 -6.309 1.00 73.33 O ATOM 566 CB LEU A 41 -4.158 -7.020 -4.932 1.00 53.33 C ATOM 567 CG LEU A 41 -5.003 -5.753 -4.675 1.00 12.05 C ATOM 568 CD1 LEU A 41 -4.190 -4.461 -4.707 1.00 42.54 C ATOM 569 CD2 LEU A 41 -6.210 -5.602 -5.607 1.00 2.24 C ATOM 0 H LEU A 41 -5.272 -8.437 -6.677 1.00 12.23 H new ATOM 0 HA LEU A 41 -3.642 -6.176 -6.800 1.00 74.23 H new ATOM 0 HB2 LEU A 41 -4.760 -7.895 -4.685 1.00 53.33 H new ATOM 0 HB3 LEU A 41 -3.308 -7.015 -4.250 1.00 53.33 H new ATOM 0 HG LEU A 41 -5.375 -5.911 -3.663 1.00 12.05 H new ATOM 0 HD11 LEU A 41 -4.848 -3.612 -4.519 1.00 42.54 H new ATOM 0 HD12 LEU A 41 -3.417 -4.498 -3.939 1.00 42.54 H new ATOM 0 HD13 LEU A 41 -3.724 -4.349 -5.686 1.00 42.54 H new ATOM 0 HD21 LEU A 41 -6.749 -4.687 -5.359 1.00 2.24 H new ATOM 0 HD22 LEU A 41 -5.868 -5.553 -6.641 1.00 2.24 H new ATOM 0 HD23 LEU A 41 -6.873 -6.458 -5.485 1.00 2.24 H new ATOM 581 N SER A 42 -1.974 -9.001 -6.558 1.00 71.33 N ATOM 582 CA SER A 42 -0.637 -9.577 -6.632 1.00 30.21 C ATOM 583 C SER A 42 0.133 -8.975 -7.810 1.00 33.43 C ATOM 584 O SER A 42 1.312 -8.643 -7.665 1.00 33.24 O ATOM 585 CB SER A 42 -0.713 -11.103 -6.801 1.00 71.33 C ATOM 586 OG SER A 42 -0.053 -11.741 -5.726 1.00 72.14 O ATOM 0 H SER A 42 -2.724 -9.688 -6.634 1.00 71.33 H new ATOM 0 HA SER A 42 -0.117 -9.348 -5.702 1.00 30.21 H new ATOM 0 HB2 SER A 42 -1.755 -11.422 -6.840 1.00 71.33 H new ATOM 0 HB3 SER A 42 -0.255 -11.396 -7.746 1.00 71.33 H new ATOM 0 HG SER A 42 -0.107 -12.713 -5.840 1.00 72.14 H new ATOM 592 N THR A 43 -0.528 -8.842 -8.961 1.00 23.32 N ATOM 593 CA THR A 43 0.057 -8.295 -10.169 1.00 41.22 C ATOM 594 C THR A 43 0.375 -6.813 -9.980 1.00 60.21 C ATOM 595 O THR A 43 1.449 -6.365 -10.385 1.00 63.32 O ATOM 596 CB THR A 43 -0.939 -8.476 -11.319 1.00 74.31 C ATOM 597 OG1 THR A 43 -1.483 -9.786 -11.358 1.00 62.12 O ATOM 598 CG2 THR A 43 -0.279 -8.181 -12.661 1.00 32.43 C ATOM 0 H THR A 43 -1.503 -9.119 -9.074 1.00 23.32 H new ATOM 0 HA THR A 43 0.987 -8.817 -10.396 1.00 41.22 H new ATOM 0 HB THR A 43 -1.748 -7.769 -11.137 1.00 74.31 H new ATOM 0 HG1 THR A 43 -2.114 -9.856 -12.105 1.00 62.12 H new ATOM 0 HG21 THR A 43 -1.006 -8.316 -13.462 1.00 32.43 H new ATOM 0 HG22 THR A 43 0.084 -7.153 -12.670 1.00 32.43 H new ATOM 0 HG23 THR A 43 0.558 -8.862 -12.812 1.00 32.43 H new ATOM 606 N ILE A 44 -0.556 -6.069 -9.375 1.00 54.14 N ATOM 607 CA ILE A 44 -0.430 -4.641 -9.116 1.00 20.44 C ATOM 608 C ILE A 44 0.782 -4.424 -8.216 1.00 23.22 C ATOM 609 O ILE A 44 1.638 -3.606 -8.545 1.00 12.14 O ATOM 610 CB ILE A 44 -1.741 -4.085 -8.514 1.00 23.24 C ATOM 611 CG1 ILE A 44 -2.905 -4.288 -9.512 1.00 2.42 C ATOM 612 CG2 ILE A 44 -1.586 -2.600 -8.150 1.00 11.10 C ATOM 613 CD1 ILE A 44 -4.276 -3.861 -8.987 1.00 73.54 C ATOM 0 H ILE A 44 -1.439 -6.458 -9.045 1.00 54.14 H new ATOM 0 HA ILE A 44 -0.269 -4.089 -10.042 1.00 20.44 H new ATOM 0 HB ILE A 44 -1.966 -4.631 -7.598 1.00 23.24 H new ATOM 0 HG12 ILE A 44 -2.688 -3.728 -10.421 1.00 2.42 H new ATOM 0 HG13 ILE A 44 -2.949 -5.341 -9.789 1.00 2.42 H new ATOM 0 HG21 ILE A 44 -2.520 -2.229 -7.728 1.00 11.10 H new ATOM 0 HG22 ILE A 44 -0.787 -2.486 -7.418 1.00 11.10 H new ATOM 0 HG23 ILE A 44 -1.341 -2.029 -9.046 1.00 11.10 H new ATOM 0 HD11 ILE A 44 -5.031 -4.039 -9.753 1.00 73.54 H new ATOM 0 HD12 ILE A 44 -4.520 -4.439 -8.096 1.00 73.54 H new ATOM 0 HD13 ILE A 44 -4.256 -2.800 -8.738 1.00 73.54 H new ATOM 625 N ALA A 45 0.896 -5.187 -7.122 1.00 13.04 N ATOM 626 CA ALA A 45 2.010 -5.082 -6.191 1.00 44.31 C ATOM 627 C ALA A 45 3.311 -5.242 -6.978 1.00 72.33 C ATOM 628 O ALA A 45 4.220 -4.422 -6.841 1.00 1.24 O ATOM 629 CB ALA A 45 1.859 -6.135 -5.089 1.00 55.43 C ATOM 0 H ALA A 45 0.211 -5.896 -6.863 1.00 13.04 H new ATOM 0 HA ALA A 45 2.025 -4.108 -5.701 1.00 44.31 H new ATOM 0 HB1 ALA A 45 2.694 -6.055 -4.393 1.00 55.43 H new ATOM 0 HB2 ALA A 45 0.923 -5.971 -4.554 1.00 55.43 H new ATOM 0 HB3 ALA A 45 1.852 -7.130 -5.535 1.00 55.43 H new ATOM 635 N GLN A 46 3.357 -6.237 -7.867 1.00 75.53 N ATOM 636 CA GLN A 46 4.490 -6.506 -8.710 1.00 75.12 C ATOM 637 C GLN A 46 4.829 -5.311 -9.610 1.00 30.13 C ATOM 638 O GLN A 46 6.007 -4.981 -9.748 1.00 53.22 O ATOM 639 CB GLN A 46 4.154 -7.751 -9.543 1.00 53.04 C ATOM 640 CG GLN A 46 5.070 -8.910 -9.199 1.00 53.11 C ATOM 641 CD GLN A 46 6.480 -8.592 -9.678 1.00 63.31 C ATOM 642 OE1 GLN A 46 6.779 -8.705 -10.865 1.00 51.45 O ATOM 643 NE2 GLN A 46 7.342 -8.095 -8.811 1.00 10.33 N ATOM 0 H GLN A 46 2.582 -6.884 -8.012 1.00 75.53 H new ATOM 0 HA GLN A 46 5.375 -6.681 -8.099 1.00 75.12 H new ATOM 0 HB2 GLN A 46 3.118 -8.040 -9.367 1.00 53.04 H new ATOM 0 HB3 GLN A 46 4.244 -7.516 -10.604 1.00 53.04 H new ATOM 0 HG2 GLN A 46 5.069 -9.083 -8.123 1.00 53.11 H new ATOM 0 HG3 GLN A 46 4.711 -9.825 -9.670 1.00 53.11 H new ATOM 0 HE21 GLN A 46 7.083 -8.006 -7.828 1.00 10.33 H new ATOM 0 HE22 GLN A 46 8.267 -7.800 -9.123 1.00 10.33 H new ATOM 652 N SER A 47 3.832 -4.658 -10.222 1.00 64.53 N ATOM 653 CA SER A 47 4.061 -3.504 -11.087 1.00 62.30 C ATOM 654 C SER A 47 4.812 -2.414 -10.307 1.00 70.31 C ATOM 655 O SER A 47 5.728 -1.778 -10.837 1.00 44.03 O ATOM 656 CB SER A 47 2.731 -2.957 -11.630 1.00 61.43 C ATOM 657 OG SER A 47 1.874 -3.956 -12.164 1.00 53.12 O ATOM 0 H SER A 47 2.850 -4.917 -10.129 1.00 64.53 H new ATOM 0 HA SER A 47 4.668 -3.817 -11.937 1.00 62.30 H new ATOM 0 HB2 SER A 47 2.209 -2.435 -10.828 1.00 61.43 H new ATOM 0 HB3 SER A 47 2.942 -2.220 -12.405 1.00 61.43 H new ATOM 0 HG SER A 47 1.048 -3.539 -12.489 1.00 53.12 H new ATOM 663 N LEU A 48 4.449 -2.208 -9.034 1.00 62.12 N ATOM 664 CA LEU A 48 5.095 -1.213 -8.191 1.00 60.21 C ATOM 665 C LEU A 48 6.527 -1.650 -7.863 1.00 72.24 C ATOM 666 O LEU A 48 7.406 -0.786 -7.838 1.00 72.33 O ATOM 667 CB LEU A 48 4.259 -0.885 -6.945 1.00 41.41 C ATOM 668 CG LEU A 48 3.064 0.045 -7.267 1.00 62.31 C ATOM 669 CD1 LEU A 48 1.815 -0.667 -7.782 1.00 50.22 C ATOM 670 CD2 LEU A 48 2.675 0.824 -6.016 1.00 63.24 C ATOM 0 H LEU A 48 3.704 -2.726 -8.569 1.00 62.12 H new ATOM 0 HA LEU A 48 5.162 -0.276 -8.744 1.00 60.21 H new ATOM 0 HB2 LEU A 48 3.888 -1.811 -6.505 1.00 41.41 H new ATOM 0 HB3 LEU A 48 4.895 -0.410 -6.198 1.00 41.41 H new ATOM 0 HG LEU A 48 3.414 0.692 -8.071 1.00 62.31 H new ATOM 0 HD11 LEU A 48 1.033 0.067 -7.979 1.00 50.22 H new ATOM 0 HD12 LEU A 48 2.053 -1.200 -8.703 1.00 50.22 H new ATOM 0 HD13 LEU A 48 1.466 -1.377 -7.032 1.00 50.22 H new ATOM 0 HD21 LEU A 48 1.834 1.479 -6.242 1.00 63.24 H new ATOM 0 HD22 LEU A 48 2.391 0.127 -5.227 1.00 63.24 H new ATOM 0 HD23 LEU A 48 3.522 1.424 -5.683 1.00 63.24 H new ATOM 682 N VAL A 49 6.802 -2.942 -7.628 1.00 22.12 N ATOM 683 CA VAL A 49 8.168 -3.411 -7.358 1.00 13.32 C ATOM 684 C VAL A 49 9.023 -3.082 -8.585 1.00 74.23 C ATOM 685 O VAL A 49 10.153 -2.616 -8.417 1.00 51.43 O ATOM 686 CB VAL A 49 8.207 -4.913 -7.002 1.00 61.24 C ATOM 687 CG1 VAL A 49 9.635 -5.475 -6.892 1.00 55.40 C ATOM 688 CG2 VAL A 49 7.523 -5.133 -5.653 1.00 72.10 C ATOM 0 H VAL A 49 6.097 -3.679 -7.620 1.00 22.12 H new ATOM 0 HA VAL A 49 8.570 -2.902 -6.482 1.00 13.32 H new ATOM 0 HB VAL A 49 7.697 -5.433 -7.813 1.00 61.24 H new ATOM 0 HG11 VAL A 49 9.591 -6.534 -6.640 1.00 55.40 H new ATOM 0 HG12 VAL A 49 10.150 -5.350 -7.845 1.00 55.40 H new ATOM 0 HG13 VAL A 49 10.178 -4.939 -6.113 1.00 55.40 H new ATOM 0 HG21 VAL A 49 7.550 -6.193 -5.400 1.00 72.10 H new ATOM 0 HG22 VAL A 49 8.044 -4.563 -4.884 1.00 72.10 H new ATOM 0 HG23 VAL A 49 6.487 -4.800 -5.712 1.00 72.10 H new ATOM 698 N GLN A 50 8.480 -3.255 -9.801 1.00 62.13 N ATOM 699 CA GLN A 50 9.200 -2.946 -11.031 1.00 43.51 C ATOM 700 C GLN A 50 9.620 -1.467 -10.992 1.00 52.34 C ATOM 701 O GLN A 50 10.750 -1.131 -11.335 1.00 62.43 O ATOM 702 CB GLN A 50 8.389 -3.310 -12.285 1.00 15.01 C ATOM 703 CG GLN A 50 8.215 -4.830 -12.445 1.00 23.31 C ATOM 704 CD GLN A 50 7.309 -5.212 -13.617 1.00 4.31 C ATOM 705 OE1 GLN A 50 6.417 -4.471 -14.027 1.00 30.14 O ATOM 706 NE2 GLN A 50 7.509 -6.374 -14.216 1.00 63.10 N ATOM 0 H GLN A 50 7.536 -3.611 -9.951 1.00 62.13 H new ATOM 0 HA GLN A 50 10.097 -3.561 -11.095 1.00 43.51 H new ATOM 0 HB2 GLN A 50 7.408 -2.838 -12.231 1.00 15.01 H new ATOM 0 HB3 GLN A 50 8.888 -2.908 -13.167 1.00 15.01 H new ATOM 0 HG2 GLN A 50 9.194 -5.289 -12.586 1.00 23.31 H new ATOM 0 HG3 GLN A 50 7.800 -5.241 -11.524 1.00 23.31 H new ATOM 0 HE21 GLN A 50 8.245 -6.998 -13.886 1.00 63.10 H new ATOM 0 HE22 GLN A 50 6.927 -6.646 -15.008 1.00 63.10 H new ATOM 715 N SER A 51 8.757 -0.565 -10.515 1.00 14.24 N ATOM 716 CA SER A 51 9.087 0.854 -10.425 1.00 34.41 C ATOM 717 C SER A 51 10.172 1.128 -9.387 1.00 2.53 C ATOM 718 O SER A 51 10.945 2.083 -9.543 1.00 73.43 O ATOM 719 CB SER A 51 7.832 1.659 -10.098 1.00 43.50 C ATOM 720 OG SER A 51 6.834 1.387 -11.054 1.00 22.20 O ATOM 0 H SER A 51 7.821 -0.798 -10.184 1.00 14.24 H new ATOM 0 HA SER A 51 9.480 1.163 -11.394 1.00 34.41 H new ATOM 0 HB2 SER A 51 7.474 1.404 -9.101 1.00 43.50 H new ATOM 0 HB3 SER A 51 8.063 2.724 -10.091 1.00 43.50 H new ATOM 0 HG SER A 51 6.028 1.903 -10.842 1.00 22.20 H new ATOM 726 N ILE A 52 10.224 0.351 -8.305 1.00 21.34 N ATOM 727 CA ILE A 52 11.234 0.519 -7.273 1.00 52.40 C ATOM 728 C ILE A 52 12.570 0.119 -7.907 1.00 70.40 C ATOM 729 O ILE A 52 13.491 0.936 -7.884 1.00 31.35 O ATOM 730 CB ILE A 52 10.868 -0.250 -5.975 1.00 41.43 C ATOM 731 CG1 ILE A 52 9.576 0.344 -5.359 1.00 3.44 C ATOM 732 CG2 ILE A 52 12.010 -0.161 -4.942 1.00 74.54 C ATOM 733 CD1 ILE A 52 8.964 -0.518 -4.249 1.00 64.43 C ATOM 0 H ILE A 52 9.568 -0.408 -8.124 1.00 21.34 H new ATOM 0 HA ILE A 52 11.303 1.552 -6.932 1.00 52.40 H new ATOM 0 HB ILE A 52 10.709 -1.297 -6.233 1.00 41.43 H new ATOM 0 HG12 ILE A 52 9.798 1.333 -4.957 1.00 3.44 H new ATOM 0 HG13 ILE A 52 8.838 0.480 -6.149 1.00 3.44 H new ATOM 0 HG21 ILE A 52 11.730 -0.707 -4.042 1.00 74.54 H new ATOM 0 HG22 ILE A 52 12.916 -0.596 -5.363 1.00 74.54 H new ATOM 0 HG23 ILE A 52 12.192 0.884 -4.690 1.00 74.54 H new ATOM 0 HD11 ILE A 52 8.064 -0.036 -3.869 1.00 64.43 H new ATOM 0 HD12 ILE A 52 8.709 -1.499 -4.649 1.00 64.43 H new ATOM 0 HD13 ILE A 52 9.684 -0.633 -3.439 1.00 64.43 H new ATOM 745 N GLN A 53 12.673 -1.072 -8.516 1.00 30.32 N ATOM 746 CA GLN A 53 13.924 -1.529 -9.128 1.00 1.05 C ATOM 747 C GLN A 53 14.398 -0.609 -10.257 1.00 23.45 C ATOM 748 O GLN A 53 15.599 -0.333 -10.334 1.00 15.22 O ATOM 749 CB GLN A 53 13.869 -3.008 -9.547 1.00 34.40 C ATOM 750 CG GLN A 53 12.916 -3.319 -10.698 1.00 55.14 C ATOM 751 CD GLN A 53 12.820 -4.789 -11.107 1.00 52.22 C ATOM 752 OE1 GLN A 53 11.793 -5.224 -11.617 1.00 40.11 O ATOM 753 NE2 GLN A 53 13.859 -5.590 -10.970 1.00 53.24 N ATOM 0 H GLN A 53 11.902 -1.735 -8.596 1.00 30.32 H new ATOM 0 HA GLN A 53 14.685 -1.465 -8.351 1.00 1.05 H new ATOM 0 HB2 GLN A 53 14.872 -3.327 -9.830 1.00 34.40 H new ATOM 0 HB3 GLN A 53 13.577 -3.604 -8.682 1.00 34.40 H new ATOM 0 HG2 GLN A 53 11.920 -2.973 -10.423 1.00 55.14 H new ATOM 0 HG3 GLN A 53 13.226 -2.740 -11.568 1.00 55.14 H new ATOM 0 HE21 GLN A 53 14.719 -5.241 -10.548 1.00 53.24 H new ATOM 0 HE22 GLN A 53 13.802 -6.558 -11.287 1.00 53.24 H new ATOM 762 N SER A 54 13.475 -0.062 -11.053 1.00 14.33 N ATOM 763 CA SER A 54 13.806 0.831 -12.163 1.00 72.42 C ATOM 764 C SER A 54 14.717 1.980 -11.712 1.00 13.44 C ATOM 765 O SER A 54 15.842 2.098 -12.201 1.00 70.21 O ATOM 766 CB SER A 54 12.526 1.379 -12.808 1.00 61.22 C ATOM 767 OG SER A 54 11.820 0.365 -13.498 1.00 42.53 O ATOM 0 H SER A 54 12.474 -0.228 -10.944 1.00 14.33 H new ATOM 0 HA SER A 54 14.353 0.250 -12.905 1.00 72.42 H new ATOM 0 HB2 SER A 54 11.886 1.811 -12.039 1.00 61.22 H new ATOM 0 HB3 SER A 54 12.780 2.182 -13.500 1.00 61.22 H new ATOM 0 HG SER A 54 11.395 -0.236 -12.851 1.00 42.53 H new ATOM 773 N LEU A 55 14.283 2.783 -10.731 1.00 71.32 N ATOM 774 CA LEU A 55 15.096 3.898 -10.242 1.00 44.04 C ATOM 775 C LEU A 55 16.207 3.410 -9.322 1.00 22.55 C ATOM 776 O LEU A 55 17.271 4.032 -9.291 1.00 74.25 O ATOM 777 CB LEU A 55 14.244 4.959 -9.531 1.00 62.23 C ATOM 778 CG LEU A 55 13.649 6.059 -10.428 1.00 54.24 C ATOM 779 CD1 LEU A 55 14.718 7.065 -10.874 1.00 21.11 C ATOM 780 CD2 LEU A 55 12.893 5.509 -11.639 1.00 21.44 C ATOM 0 H LEU A 55 13.381 2.681 -10.266 1.00 71.32 H new ATOM 0 HA LEU A 55 15.550 4.364 -11.116 1.00 44.04 H new ATOM 0 HB2 LEU A 55 13.426 4.455 -9.017 1.00 62.23 H new ATOM 0 HB3 LEU A 55 14.856 5.434 -8.765 1.00 62.23 H new ATOM 0 HG LEU A 55 12.918 6.578 -9.808 1.00 54.24 H new ATOM 0 HD11 LEU A 55 14.260 7.826 -11.506 1.00 21.11 H new ATOM 0 HD12 LEU A 55 15.160 7.539 -9.997 1.00 21.11 H new ATOM 0 HD13 LEU A 55 15.494 6.546 -11.436 1.00 21.11 H new ATOM 0 HD21 LEU A 55 12.499 6.337 -12.229 1.00 21.44 H new ATOM 0 HD22 LEU A 55 13.571 4.916 -12.253 1.00 21.44 H new ATOM 0 HD23 LEU A 55 12.069 4.881 -11.299 1.00 21.44 H new ATOM 792 N ALA A 56 15.993 2.323 -8.569 1.00 20.54 N ATOM 793 CA ALA A 56 16.998 1.772 -7.664 1.00 25.45 C ATOM 794 C ALA A 56 18.268 1.406 -8.431 1.00 42.40 C ATOM 795 O ALA A 56 19.356 1.484 -7.862 1.00 51.22 O ATOM 796 CB ALA A 56 16.465 0.547 -6.915 1.00 43.43 C ATOM 0 H ALA A 56 15.115 1.804 -8.574 1.00 20.54 H new ATOM 0 HA ALA A 56 17.236 2.541 -6.929 1.00 25.45 H new ATOM 0 HB1 ALA A 56 17.238 0.162 -6.250 1.00 43.43 H new ATOM 0 HB2 ALA A 56 15.591 0.831 -6.329 1.00 43.43 H new ATOM 0 HB3 ALA A 56 16.186 -0.225 -7.632 1.00 43.43 H new ATOM 802 N ALA A 57 18.158 1.054 -9.717 1.00 42.22 N ATOM 803 CA ALA A 57 19.304 0.703 -10.542 1.00 13.14 C ATOM 804 C ALA A 57 20.289 1.866 -10.670 1.00 11.43 C ATOM 805 O ALA A 57 21.466 1.618 -10.921 1.00 72.14 O ATOM 806 CB ALA A 57 18.845 0.290 -11.936 1.00 41.13 C ATOM 0 H ALA A 57 17.266 1.007 -10.210 1.00 42.22 H new ATOM 0 HA ALA A 57 19.810 -0.129 -10.052 1.00 13.14 H new ATOM 0 HB1 ALA A 57 19.713 0.030 -12.543 1.00 41.13 H new ATOM 0 HB2 ALA A 57 18.183 -0.573 -11.860 1.00 41.13 H new ATOM 0 HB3 ALA A 57 18.310 1.117 -12.403 1.00 41.13 H new ATOM 812 N GLN A 58 19.819 3.117 -10.577 1.00 75.35 N ATOM 813 CA GLN A 58 20.654 4.313 -10.665 1.00 74.03 C ATOM 814 C GLN A 58 20.682 5.126 -9.361 1.00 72.23 C ATOM 815 O GLN A 58 21.455 6.077 -9.262 1.00 25.52 O ATOM 816 CB GLN A 58 20.297 5.139 -11.908 1.00 14.43 C ATOM 817 CG GLN A 58 18.911 5.775 -11.818 1.00 54.23 C ATOM 818 CD GLN A 58 18.645 6.728 -12.981 1.00 34.25 C ATOM 819 OE1 GLN A 58 17.837 6.450 -13.856 1.00 4.32 O ATOM 820 NE2 GLN A 58 19.316 7.866 -13.036 1.00 40.42 N ATOM 0 H GLN A 58 18.830 3.325 -10.436 1.00 75.35 H new ATOM 0 HA GLN A 58 21.686 3.986 -10.795 1.00 74.03 H new ATOM 0 HB2 GLN A 58 21.043 5.922 -12.045 1.00 14.43 H new ATOM 0 HB3 GLN A 58 20.342 4.499 -12.789 1.00 14.43 H new ATOM 0 HG2 GLN A 58 18.152 4.992 -11.809 1.00 54.23 H new ATOM 0 HG3 GLN A 58 18.821 6.317 -10.877 1.00 54.23 H new ATOM 0 HE21 GLN A 58 19.990 8.097 -12.306 1.00 40.42 H new ATOM 0 HE22 GLN A 58 19.160 8.513 -13.809 1.00 40.42 H new ATOM 829 N GLY A 59 19.835 4.799 -8.381 1.00 32.10 N ATOM 830 CA GLY A 59 19.756 5.470 -7.090 1.00 31.14 C ATOM 831 C GLY A 59 19.066 6.838 -7.106 1.00 73.03 C ATOM 832 O GLY A 59 19.037 7.520 -6.084 1.00 52.30 O ATOM 0 H GLY A 59 19.166 4.035 -8.472 1.00 32.10 H new ATOM 0 HA2 GLY A 59 19.225 4.821 -6.393 1.00 31.14 H new ATOM 0 HA3 GLY A 59 20.767 5.595 -6.701 1.00 31.14 H new ATOM 836 N ARG A 60 18.471 7.279 -8.220 1.00 21.41 N ATOM 837 CA ARG A 60 17.809 8.590 -8.301 1.00 65.12 C ATOM 838 C ARG A 60 16.417 8.670 -7.647 1.00 20.31 C ATOM 839 O ARG A 60 15.613 9.513 -8.048 1.00 0.34 O ATOM 840 CB ARG A 60 17.851 9.130 -9.746 1.00 51.25 C ATOM 841 CG ARG A 60 19.160 9.860 -10.093 1.00 63.42 C ATOM 842 CD ARG A 60 19.348 11.131 -9.245 1.00 14.13 C ATOM 843 NE ARG A 60 20.278 12.091 -9.853 1.00 71.10 N ATOM 844 CZ ARG A 60 20.873 13.123 -9.245 1.00 14.22 C ATOM 845 NH1 ARG A 60 20.801 13.280 -7.930 1.00 63.51 N ATOM 846 NH2 ARG A 60 21.537 14.020 -9.960 1.00 3.14 N ATOM 0 H ARG A 60 18.434 6.743 -9.087 1.00 21.41 H new ATOM 0 HA ARG A 60 18.395 9.262 -7.674 1.00 65.12 H new ATOM 0 HB2 ARG A 60 17.713 8.300 -10.439 1.00 51.25 H new ATOM 0 HB3 ARG A 60 17.014 9.812 -9.894 1.00 51.25 H new ATOM 0 HG2 ARG A 60 20.004 9.189 -9.934 1.00 63.42 H new ATOM 0 HG3 ARG A 60 19.159 10.125 -11.150 1.00 63.42 H new ATOM 0 HD2 ARG A 60 18.380 11.612 -9.101 1.00 14.13 H new ATOM 0 HD3 ARG A 60 19.716 10.852 -8.258 1.00 14.13 H new ATOM 0 HE ARG A 60 20.492 11.957 -10.841 1.00 71.10 H new ATOM 0 HH11 ARG A 60 20.285 12.607 -7.364 1.00 63.51 H new ATOM 0 HH12 ARG A 60 21.262 14.074 -7.485 1.00 63.51 H new ATOM 0 HH21 ARG A 60 21.594 13.923 -10.974 1.00 3.14 H new ATOM 0 HH22 ARG A 60 21.991 14.807 -9.496 1.00 3.14 H new ATOM 860 N THR A 61 16.083 7.826 -6.676 1.00 31.14 N ATOM 861 CA THR A 61 14.797 7.838 -5.988 1.00 13.34 C ATOM 862 C THR A 61 14.579 9.123 -5.167 1.00 34.51 C ATOM 863 O THR A 61 14.888 9.169 -3.979 1.00 31.45 O ATOM 864 CB THR A 61 14.696 6.581 -5.106 1.00 75.21 C ATOM 865 OG1 THR A 61 15.923 6.322 -4.438 1.00 22.20 O ATOM 866 CG2 THR A 61 14.339 5.368 -5.967 1.00 40.01 C ATOM 0 H THR A 61 16.713 7.098 -6.338 1.00 31.14 H new ATOM 0 HA THR A 61 14.003 7.827 -6.735 1.00 13.34 H new ATOM 0 HB THR A 61 13.919 6.758 -4.362 1.00 75.21 H new ATOM 0 HG1 THR A 61 15.830 5.519 -3.883 1.00 22.20 H new ATOM 0 HG21 THR A 61 14.269 4.482 -5.336 1.00 40.01 H new ATOM 0 HG22 THR A 61 13.381 5.540 -6.459 1.00 40.01 H new ATOM 0 HG23 THR A 61 15.112 5.217 -6.721 1.00 40.01 H new ATOM 874 N SER A 62 14.065 10.190 -5.787 1.00 32.40 N ATOM 875 CA SER A 62 13.796 11.434 -5.072 1.00 72.13 C ATOM 876 C SER A 62 12.607 11.176 -4.129 1.00 62.43 C ATOM 877 O SER A 62 11.746 10.354 -4.467 1.00 34.30 O ATOM 878 CB SER A 62 13.447 12.555 -6.055 1.00 43.41 C ATOM 879 OG SER A 62 14.207 12.482 -7.240 1.00 43.24 O ATOM 0 H SER A 62 13.829 10.214 -6.779 1.00 32.40 H new ATOM 0 HA SER A 62 14.678 11.745 -4.511 1.00 72.13 H new ATOM 0 HB2 SER A 62 12.387 12.502 -6.302 1.00 43.41 H new ATOM 0 HB3 SER A 62 13.615 13.520 -5.577 1.00 43.41 H new ATOM 0 HG SER A 62 13.951 13.214 -7.839 1.00 43.24 H new ATOM 885 N PRO A 63 12.474 11.906 -3.011 1.00 63.33 N ATOM 886 CA PRO A 63 11.380 11.692 -2.071 1.00 0.30 C ATOM 887 C PRO A 63 10.028 11.984 -2.711 1.00 1.33 C ATOM 888 O PRO A 63 9.109 11.185 -2.601 1.00 71.51 O ATOM 889 CB PRO A 63 11.671 12.603 -0.877 1.00 14.40 C ATOM 890 CG PRO A 63 12.608 13.668 -1.441 1.00 62.42 C ATOM 891 CD PRO A 63 13.392 12.915 -2.512 1.00 72.23 C ATOM 0 HA PRO A 63 11.320 10.651 -1.754 1.00 0.30 H new ATOM 0 HB2 PRO A 63 10.757 13.046 -0.481 1.00 14.40 H new ATOM 0 HB3 PRO A 63 12.138 12.053 -0.060 1.00 14.40 H new ATOM 0 HG2 PRO A 63 12.055 14.507 -1.863 1.00 62.42 H new ATOM 0 HG3 PRO A 63 13.265 14.073 -0.672 1.00 62.42 H new ATOM 0 HD2 PRO A 63 13.714 13.585 -3.310 1.00 72.23 H new ATOM 0 HD3 PRO A 63 14.291 12.460 -2.096 1.00 72.23 H new ATOM 899 N ASN A 64 9.934 13.073 -3.475 1.00 2.32 N ATOM 900 CA ASN A 64 8.720 13.518 -4.151 1.00 31.23 C ATOM 901 C ASN A 64 8.070 12.396 -4.970 1.00 21.43 C ATOM 902 O ASN A 64 6.851 12.215 -4.937 1.00 12.43 O ATOM 903 CB ASN A 64 9.038 14.726 -5.044 1.00 53.53 C ATOM 904 CG ASN A 64 9.754 15.840 -4.287 1.00 54.44 C ATOM 905 OD1 ASN A 64 10.957 15.743 -4.053 1.00 2.21 O ATOM 906 ND2 ASN A 64 9.052 16.875 -3.870 1.00 53.32 N ATOM 0 H ASN A 64 10.729 13.689 -3.644 1.00 2.32 H new ATOM 0 HA ASN A 64 7.999 13.811 -3.387 1.00 31.23 H new ATOM 0 HB2 ASN A 64 9.658 14.402 -5.880 1.00 53.53 H new ATOM 0 HB3 ASN A 64 8.112 15.115 -5.466 1.00 53.53 H new ATOM 0 HD21 ASN A 64 9.506 17.619 -3.340 1.00 53.32 H new ATOM 0 HD22 ASN A 64 8.055 16.932 -4.077 1.00 53.32 H new ATOM 913 N LYS A 65 8.865 11.704 -5.794 1.00 21.32 N ATOM 914 CA LYS A 65 8.401 10.589 -6.621 1.00 52.44 C ATOM 915 C LYS A 65 8.228 9.324 -5.788 1.00 24.13 C ATOM 916 O LYS A 65 7.230 8.640 -5.975 1.00 55.42 O ATOM 917 CB LYS A 65 9.239 10.384 -7.896 1.00 51.24 C ATOM 918 CG LYS A 65 10.756 10.541 -7.723 1.00 24.54 C ATOM 919 CD LYS A 65 11.488 10.565 -9.066 1.00 14.03 C ATOM 920 CE LYS A 65 11.689 9.142 -9.575 1.00 53.13 C ATOM 921 NZ LYS A 65 11.861 9.104 -11.041 1.00 32.40 N ATOM 0 H LYS A 65 9.859 11.906 -5.905 1.00 21.32 H new ATOM 0 HA LYS A 65 7.412 10.855 -6.995 1.00 52.44 H new ATOM 0 HB2 LYS A 65 9.037 9.386 -8.286 1.00 51.24 H new ATOM 0 HB3 LYS A 65 8.901 11.095 -8.650 1.00 51.24 H new ATOM 0 HG2 LYS A 65 10.965 11.463 -7.180 1.00 24.54 H new ATOM 0 HG3 LYS A 65 11.138 9.720 -7.117 1.00 24.54 H new ATOM 0 HD2 LYS A 65 10.915 11.142 -9.792 1.00 14.03 H new ATOM 0 HD3 LYS A 65 12.453 11.060 -8.955 1.00 14.03 H new ATOM 0 HE2 LYS A 65 12.564 8.704 -9.095 1.00 53.13 H new ATOM 0 HE3 LYS A 65 10.832 8.531 -9.293 1.00 53.13 H new ATOM 0 HZ1 LYS A 65 11.707 8.134 -11.384 1.00 32.40 H new ATOM 0 HZ2 LYS A 65 11.172 9.742 -11.488 1.00 32.40 H new ATOM 0 HZ3 LYS A 65 12.825 9.409 -11.285 1.00 32.40 H new ATOM 935 N LEU A 66 9.162 8.994 -4.883 1.00 22.11 N ATOM 936 CA LEU A 66 9.067 7.801 -4.028 1.00 40.43 C ATOM 937 C LEU A 66 7.732 7.833 -3.272 1.00 71.42 C ATOM 938 O LEU A 66 7.028 6.825 -3.211 1.00 35.30 O ATOM 939 CB LEU A 66 10.289 7.726 -3.093 1.00 44.24 C ATOM 940 CG LEU A 66 10.248 6.572 -2.070 1.00 64.41 C ATOM 941 CD1 LEU A 66 10.228 5.197 -2.752 1.00 75.53 C ATOM 942 CD2 LEU A 66 11.478 6.661 -1.160 1.00 54.54 C ATOM 0 H LEU A 66 10.004 9.547 -4.723 1.00 22.11 H new ATOM 0 HA LEU A 66 9.081 6.892 -4.629 1.00 40.43 H new ATOM 0 HB2 LEU A 66 11.188 7.623 -3.700 1.00 44.24 H new ATOM 0 HB3 LEU A 66 10.375 8.669 -2.553 1.00 44.24 H new ATOM 0 HG LEU A 66 9.329 6.673 -1.492 1.00 64.41 H new ATOM 0 HD11 LEU A 66 10.199 4.415 -1.993 1.00 75.53 H new ATOM 0 HD12 LEU A 66 9.346 5.119 -3.387 1.00 75.53 H new ATOM 0 HD13 LEU A 66 11.125 5.080 -3.360 1.00 75.53 H new ATOM 0 HD21 LEU A 66 11.454 5.847 -0.435 1.00 54.54 H new ATOM 0 HD22 LEU A 66 12.383 6.583 -1.763 1.00 54.54 H new ATOM 0 HD23 LEU A 66 11.473 7.616 -0.634 1.00 54.54 H new ATOM 954 N GLN A 67 7.365 9.006 -2.755 1.00 1.32 N ATOM 955 CA GLN A 67 6.131 9.279 -2.040 1.00 1.50 C ATOM 956 C GLN A 67 4.972 8.976 -2.992 1.00 1.03 C ATOM 957 O GLN A 67 4.099 8.169 -2.682 1.00 70.14 O ATOM 958 CB GLN A 67 6.139 10.766 -1.615 1.00 73.34 C ATOM 959 CG GLN A 67 4.766 11.284 -1.174 1.00 14.01 C ATOM 960 CD GLN A 67 4.792 12.745 -0.727 1.00 70.55 C ATOM 961 OE1 GLN A 67 5.111 13.654 -1.499 1.00 2.13 O ATOM 962 NE2 GLN A 67 4.402 13.006 0.506 1.00 43.43 N ATOM 0 H GLN A 67 7.958 9.833 -2.831 1.00 1.32 H new ATOM 0 HA GLN A 67 6.027 8.666 -1.145 1.00 1.50 H new ATOM 0 HB2 GLN A 67 6.848 10.898 -0.798 1.00 73.34 H new ATOM 0 HB3 GLN A 67 6.496 11.372 -2.448 1.00 73.34 H new ATOM 0 HG2 GLN A 67 4.061 11.175 -1.998 1.00 14.01 H new ATOM 0 HG3 GLN A 67 4.397 10.666 -0.355 1.00 14.01 H new ATOM 0 HE21 GLN A 67 4.142 12.243 1.131 1.00 43.43 H new ATOM 0 HE22 GLN A 67 4.361 13.971 0.834 1.00 43.43 H new ATOM 971 N ALA A 68 4.983 9.598 -4.175 1.00 5.42 N ATOM 972 CA ALA A 68 3.948 9.427 -5.181 1.00 11.13 C ATOM 973 C ALA A 68 3.745 7.979 -5.629 1.00 0.20 C ATOM 974 O ALA A 68 2.671 7.665 -6.145 1.00 30.23 O ATOM 975 CB ALA A 68 4.211 10.351 -6.364 1.00 51.35 C ATOM 0 H ALA A 68 5.723 10.241 -4.458 1.00 5.42 H new ATOM 0 HA ALA A 68 3.006 9.706 -4.709 1.00 11.13 H new ATOM 0 HB1 ALA A 68 3.430 10.215 -7.112 1.00 51.35 H new ATOM 0 HB2 ALA A 68 4.212 11.387 -6.024 1.00 51.35 H new ATOM 0 HB3 ALA A 68 5.180 10.113 -6.803 1.00 51.35 H new ATOM 981 N LEU A 69 4.730 7.085 -5.483 1.00 32.54 N ATOM 982 CA LEU A 69 4.528 5.693 -5.882 1.00 52.35 C ATOM 983 C LEU A 69 3.481 5.044 -4.969 1.00 5.40 C ATOM 984 O LEU A 69 2.814 4.100 -5.397 1.00 21.44 O ATOM 985 CB LEU A 69 5.815 4.855 -5.811 1.00 33.32 C ATOM 986 CG LEU A 69 6.956 5.235 -6.763 1.00 31.54 C ATOM 987 CD1 LEU A 69 8.139 4.295 -6.503 1.00 13.02 C ATOM 988 CD2 LEU A 69 6.543 5.132 -8.234 1.00 50.23 C ATOM 0 H LEU A 69 5.652 7.295 -5.101 1.00 32.54 H new ATOM 0 HA LEU A 69 4.196 5.711 -6.920 1.00 52.35 H new ATOM 0 HB2 LEU A 69 6.195 4.907 -4.791 1.00 33.32 H new ATOM 0 HB3 LEU A 69 5.551 3.815 -6.000 1.00 33.32 H new ATOM 0 HG LEU A 69 7.227 6.273 -6.572 1.00 31.54 H new ATOM 0 HD11 LEU A 69 8.961 4.551 -7.172 1.00 13.02 H new ATOM 0 HD12 LEU A 69 8.467 4.400 -5.469 1.00 13.02 H new ATOM 0 HD13 LEU A 69 7.832 3.265 -6.683 1.00 13.02 H new ATOM 0 HD21 LEU A 69 7.384 5.411 -8.868 1.00 50.23 H new ATOM 0 HD22 LEU A 69 6.244 4.108 -8.457 1.00 50.23 H new ATOM 0 HD23 LEU A 69 5.706 5.804 -8.425 1.00 50.23 H new ATOM 1000 N ASN A 70 3.349 5.523 -3.727 1.00 4.05 N ATOM 1001 CA ASN A 70 2.405 5.009 -2.743 1.00 71.14 C ATOM 1002 C ASN A 70 0.960 5.347 -3.098 1.00 71.11 C ATOM 1003 O ASN A 70 0.075 4.534 -2.845 1.00 72.13 O ATOM 1004 CB ASN A 70 2.737 5.561 -1.357 1.00 1.34 C ATOM 1005 CG ASN A 70 1.947 4.810 -0.307 1.00 61.14 C ATOM 1006 OD1 ASN A 70 2.388 3.760 0.154 1.00 3.12 O ATOM 1007 ND2 ASN A 70 0.794 5.320 0.071 1.00 35.41 N ATOM 0 H ASN A 70 3.912 6.298 -3.375 1.00 4.05 H new ATOM 0 HA ASN A 70 2.500 3.923 -2.742 1.00 71.14 H new ATOM 0 HB2 ASN A 70 3.805 5.463 -1.162 1.00 1.34 H new ATOM 0 HB3 ASN A 70 2.501 6.624 -1.312 1.00 1.34 H new ATOM 0 HD21 ASN A 70 0.230 4.841 0.772 1.00 35.41 H new ATOM 0 HD22 ASN A 70 0.465 6.195 -0.338 1.00 35.41 H new ATOM 1014 N MET A 71 0.724 6.500 -3.731 1.00 53.13 N ATOM 1015 CA MET A 71 -0.615 6.938 -4.126 1.00 11.00 C ATOM 1016 C MET A 71 -1.256 5.855 -4.968 1.00 62.31 C ATOM 1017 O MET A 71 -2.362 5.417 -4.667 1.00 12.42 O ATOM 1018 CB MET A 71 -0.557 8.255 -4.904 1.00 70.33 C ATOM 1019 CG MET A 71 0.026 9.400 -4.081 1.00 64.54 C ATOM 1020 SD MET A 71 0.516 10.822 -5.081 1.00 2.51 S ATOM 1021 CE MET A 71 1.285 11.767 -3.757 1.00 4.23 C ATOM 0 H MET A 71 1.461 7.158 -3.984 1.00 53.13 H new ATOM 0 HA MET A 71 -1.212 7.112 -3.231 1.00 11.00 H new ATOM 0 HB2 MET A 71 0.045 8.115 -5.802 1.00 70.33 H new ATOM 0 HB3 MET A 71 -1.561 8.523 -5.232 1.00 70.33 H new ATOM 0 HG2 MET A 71 -0.710 9.720 -3.344 1.00 64.54 H new ATOM 0 HG3 MET A 71 0.893 9.037 -3.529 1.00 64.54 H new ATOM 0 HE1 MET A 71 0.883 12.780 -3.752 1.00 4.23 H new ATOM 0 HE2 MET A 71 1.076 11.289 -2.800 1.00 4.23 H new ATOM 0 HE3 MET A 71 2.363 11.805 -3.916 1.00 4.23 H new ATOM 1031 N ALA A 72 -0.520 5.367 -5.970 1.00 33.00 N ATOM 1032 CA ALA A 72 -0.993 4.312 -6.859 1.00 21.11 C ATOM 1033 C ALA A 72 -1.520 3.122 -6.046 1.00 44.40 C ATOM 1034 O ALA A 72 -2.660 2.733 -6.237 1.00 64.34 O ATOM 1035 CB ALA A 72 0.124 3.873 -7.803 1.00 23.02 C ATOM 0 H ALA A 72 0.422 5.695 -6.185 1.00 33.00 H new ATOM 0 HA ALA A 72 -1.814 4.703 -7.460 1.00 21.11 H new ATOM 0 HB1 ALA A 72 -0.244 3.085 -8.460 1.00 23.02 H new ATOM 0 HB2 ALA A 72 0.449 4.723 -8.402 1.00 23.02 H new ATOM 0 HB3 ALA A 72 0.965 3.497 -7.221 1.00 23.02 H new ATOM 1041 N PHE A 73 -0.718 2.581 -5.118 1.00 74.23 N ATOM 1042 CA PHE A 73 -1.079 1.445 -4.261 1.00 0.42 C ATOM 1043 C PHE A 73 -2.396 1.698 -3.524 1.00 21.13 C ATOM 1044 O PHE A 73 -3.263 0.828 -3.469 1.00 11.32 O ATOM 1045 CB PHE A 73 0.076 1.190 -3.272 1.00 3.13 C ATOM 1046 CG PHE A 73 -0.168 0.257 -2.097 1.00 73.12 C ATOM 1047 CD1 PHE A 73 0.333 0.599 -0.823 1.00 24.41 C ATOM 1048 CD2 PHE A 73 -0.880 -0.946 -2.260 1.00 11.12 C ATOM 1049 CE1 PHE A 73 0.117 -0.248 0.280 1.00 32.41 C ATOM 1050 CE2 PHE A 73 -1.098 -1.788 -1.156 1.00 54.22 C ATOM 1051 CZ PHE A 73 -0.598 -1.446 0.111 1.00 41.22 C ATOM 0 H PHE A 73 0.223 2.931 -4.939 1.00 74.23 H new ATOM 0 HA PHE A 73 -1.233 0.560 -4.878 1.00 0.42 H new ATOM 0 HB2 PHE A 73 0.918 0.794 -3.840 1.00 3.13 H new ATOM 0 HB3 PHE A 73 0.388 2.154 -2.871 1.00 3.13 H new ATOM 0 HD1 PHE A 73 0.886 1.517 -0.693 1.00 24.41 H new ATOM 0 HD2 PHE A 73 -1.259 -1.222 -3.233 1.00 11.12 H new ATOM 0 HE1 PHE A 73 0.500 0.022 1.253 1.00 32.41 H new ATOM 0 HE2 PHE A 73 -1.654 -2.705 -1.283 1.00 54.22 H new ATOM 0 HZ PHE A 73 -0.763 -2.102 0.953 1.00 41.22 H new ATOM 1061 N ALA A 74 -2.544 2.871 -2.911 1.00 71.21 N ATOM 1062 CA ALA A 74 -3.760 3.215 -2.190 1.00 60.33 C ATOM 1063 C ALA A 74 -4.937 3.453 -3.144 1.00 53.33 C ATOM 1064 O ALA A 74 -6.099 3.357 -2.732 1.00 4.11 O ATOM 1065 CB ALA A 74 -3.467 4.433 -1.326 1.00 32.21 C ATOM 0 H ALA A 74 -1.831 3.600 -2.902 1.00 71.21 H new ATOM 0 HA ALA A 74 -4.062 2.383 -1.554 1.00 60.33 H new ATOM 0 HB1 ALA A 74 -4.365 4.712 -0.774 1.00 32.21 H new ATOM 0 HB2 ALA A 74 -2.668 4.197 -0.624 1.00 32.21 H new ATOM 0 HB3 ALA A 74 -3.159 5.264 -1.961 1.00 32.21 H new ATOM 1071 N SER A 75 -4.664 3.803 -4.400 1.00 24.10 N ATOM 1072 CA SER A 75 -5.677 4.033 -5.415 1.00 63.33 C ATOM 1073 C SER A 75 -6.243 2.664 -5.798 1.00 62.40 C ATOM 1074 O SER A 75 -7.456 2.483 -5.729 1.00 32.00 O ATOM 1075 CB SER A 75 -5.093 4.795 -6.609 1.00 34.30 C ATOM 1076 OG SER A 75 -4.423 5.971 -6.187 1.00 13.34 O ATOM 0 H SER A 75 -3.712 3.936 -4.742 1.00 24.10 H new ATOM 0 HA SER A 75 -6.482 4.664 -5.039 1.00 63.33 H new ATOM 0 HB2 SER A 75 -4.399 4.152 -7.150 1.00 34.30 H new ATOM 0 HB3 SER A 75 -5.892 5.057 -7.303 1.00 34.30 H new ATOM 0 HG SER A 75 -3.583 5.728 -5.744 1.00 13.34 H new ATOM 1082 N SER A 76 -5.387 1.651 -6.013 1.00 3.03 N ATOM 1083 CA SER A 76 -5.792 0.292 -6.374 1.00 22.25 C ATOM 1084 C SER A 76 -6.804 -0.244 -5.345 1.00 20.30 C ATOM 1085 O SER A 76 -7.782 -0.918 -5.686 1.00 44.22 O ATOM 1086 CB SER A 76 -4.557 -0.634 -6.417 1.00 71.14 C ATOM 1087 OG SER A 76 -3.325 0.026 -6.661 1.00 34.34 O ATOM 0 H SER A 76 -4.376 1.761 -5.938 1.00 3.03 H new ATOM 0 HA SER A 76 -6.258 0.313 -7.359 1.00 22.25 H new ATOM 0 HB2 SER A 76 -4.486 -1.166 -5.468 1.00 71.14 H new ATOM 0 HB3 SER A 76 -4.710 -1.385 -7.192 1.00 71.14 H new ATOM 0 HG SER A 76 -2.585 -0.542 -6.362 1.00 34.34 H new ATOM 1093 N LEU A 77 -6.573 0.084 -4.067 1.00 21.10 N ATOM 1094 CA LEU A 77 -7.413 -0.297 -2.942 1.00 43.42 C ATOM 1095 C LEU A 77 -8.813 0.291 -3.119 1.00 34.41 C ATOM 1096 O LEU A 77 -9.781 -0.462 -3.044 1.00 34.14 O ATOM 1097 CB LEU A 77 -6.766 0.158 -1.619 1.00 2.52 C ATOM 1098 CG LEU A 77 -6.049 -0.984 -0.887 1.00 21.31 C ATOM 1099 CD1 LEU A 77 -4.905 -1.628 -1.681 1.00 74.31 C ATOM 1100 CD2 LEU A 77 -5.477 -0.488 0.438 1.00 50.32 C ATOM 0 H LEU A 77 -5.766 0.641 -3.786 1.00 21.10 H new ATOM 0 HA LEU A 77 -7.507 -1.382 -2.907 1.00 43.42 H new ATOM 0 HB2 LEU A 77 -6.053 0.957 -1.824 1.00 2.52 H new ATOM 0 HB3 LEU A 77 -7.534 0.575 -0.968 1.00 2.52 H new ATOM 0 HG LEU A 77 -6.815 -1.746 -0.739 1.00 21.31 H new ATOM 0 HD11 LEU A 77 -4.455 -2.425 -1.089 1.00 74.31 H new ATOM 0 HD12 LEU A 77 -5.296 -2.043 -2.610 1.00 74.31 H new ATOM 0 HD13 LEU A 77 -4.151 -0.875 -1.909 1.00 74.31 H new ATOM 0 HD21 LEU A 77 -4.971 -1.309 0.946 1.00 50.32 H new ATOM 0 HD22 LEU A 77 -4.765 0.315 0.249 1.00 50.32 H new ATOM 0 HD23 LEU A 77 -6.286 -0.115 1.067 1.00 50.32 H new ATOM 1112 N ALA A 78 -8.922 1.612 -3.297 1.00 71.31 N ATOM 1113 CA ALA A 78 -10.184 2.328 -3.493 1.00 74.14 C ATOM 1114 C ALA A 78 -10.872 1.826 -4.771 1.00 54.11 C ATOM 1115 O ALA A 78 -12.064 1.561 -4.750 1.00 60.01 O ATOM 1116 CB ALA A 78 -9.887 3.827 -3.598 1.00 72.12 C ATOM 0 H ALA A 78 -8.110 2.229 -3.309 1.00 71.31 H new ATOM 0 HA ALA A 78 -10.852 2.149 -2.650 1.00 74.14 H new ATOM 0 HB1 ALA A 78 -10.819 4.373 -3.744 1.00 72.12 H new ATOM 0 HB2 ALA A 78 -9.407 4.168 -2.681 1.00 72.12 H new ATOM 0 HB3 ALA A 78 -9.224 4.008 -4.444 1.00 72.12 H new ATOM 1122 N GLU A 79 -10.137 1.614 -5.864 1.00 64.33 N ATOM 1123 CA GLU A 79 -10.669 1.145 -7.143 1.00 72.40 C ATOM 1124 C GLU A 79 -11.434 -0.179 -6.969 1.00 34.43 C ATOM 1125 O GLU A 79 -12.577 -0.312 -7.426 1.00 1.35 O ATOM 1126 CB GLU A 79 -9.515 0.992 -8.155 1.00 71.31 C ATOM 1127 CG GLU A 79 -9.278 2.205 -9.071 1.00 41.14 C ATOM 1128 CD GLU A 79 -8.052 3.044 -8.699 1.00 24.43 C ATOM 1129 OE1 GLU A 79 -6.910 2.643 -9.041 1.00 35.44 O ATOM 1130 OE2 GLU A 79 -8.234 4.157 -8.155 1.00 4.20 O ATOM 0 H GLU A 79 -9.129 1.768 -5.884 1.00 64.33 H new ATOM 0 HA GLU A 79 -11.377 1.881 -7.525 1.00 72.40 H new ATOM 0 HB2 GLU A 79 -8.596 0.788 -7.605 1.00 71.31 H new ATOM 0 HB3 GLU A 79 -9.714 0.120 -8.778 1.00 71.31 H new ATOM 0 HG2 GLU A 79 -9.166 1.855 -10.097 1.00 41.14 H new ATOM 0 HG3 GLU A 79 -10.162 2.843 -9.046 1.00 41.14 H new ATOM 1137 N ILE A 80 -10.836 -1.176 -6.309 1.00 24.41 N ATOM 1138 CA ILE A 80 -11.483 -2.472 -6.078 1.00 32.21 C ATOM 1139 C ILE A 80 -12.555 -2.323 -4.992 1.00 3.24 C ATOM 1140 O ILE A 80 -13.608 -2.957 -5.075 1.00 0.15 O ATOM 1141 CB ILE A 80 -10.413 -3.534 -5.738 1.00 25.41 C ATOM 1142 CG1 ILE A 80 -9.570 -3.892 -6.978 1.00 62.01 C ATOM 1143 CG2 ILE A 80 -10.966 -4.821 -5.101 1.00 11.33 C ATOM 1144 CD1 ILE A 80 -10.269 -4.713 -8.069 1.00 30.35 C ATOM 0 H ILE A 80 -9.895 -1.109 -5.922 1.00 24.41 H new ATOM 0 HA ILE A 80 -11.991 -2.815 -6.979 1.00 32.21 H new ATOM 0 HB ILE A 80 -9.787 -3.061 -4.981 1.00 25.41 H new ATOM 0 HG12 ILE A 80 -9.212 -2.965 -7.426 1.00 62.01 H new ATOM 0 HG13 ILE A 80 -8.692 -4.445 -6.645 1.00 62.01 H new ATOM 0 HG21 ILE A 80 -10.145 -5.508 -4.897 1.00 11.33 H new ATOM 0 HG22 ILE A 80 -11.474 -4.576 -4.169 1.00 11.33 H new ATOM 0 HG23 ILE A 80 -11.671 -5.292 -5.786 1.00 11.33 H new ATOM 0 HD11 ILE A 80 -9.573 -4.900 -8.886 1.00 30.35 H new ATOM 0 HD12 ILE A 80 -10.602 -5.663 -7.652 1.00 30.35 H new ATOM 0 HD13 ILE A 80 -11.130 -4.160 -8.445 1.00 30.35 H new ATOM 1156 N ALA A 81 -12.315 -1.494 -3.972 1.00 30.41 N ATOM 1157 CA ALA A 81 -13.274 -1.274 -2.896 1.00 34.41 C ATOM 1158 C ALA A 81 -14.558 -0.629 -3.432 1.00 64.42 C ATOM 1159 O ALA A 81 -15.640 -0.928 -2.934 1.00 45.31 O ATOM 1160 CB ALA A 81 -12.647 -0.416 -1.797 1.00 54.52 C ATOM 0 H ALA A 81 -11.452 -0.960 -3.873 1.00 30.41 H new ATOM 0 HA ALA A 81 -13.542 -2.240 -2.468 1.00 34.41 H new ATOM 0 HB1 ALA A 81 -13.373 -0.259 -0.999 1.00 54.52 H new ATOM 0 HB2 ALA A 81 -11.770 -0.924 -1.395 1.00 54.52 H new ATOM 0 HB3 ALA A 81 -12.350 0.547 -2.212 1.00 54.52 H new ATOM 1166 N ALA A 82 -14.451 0.228 -4.444 1.00 71.42 N ATOM 1167 CA ALA A 82 -15.570 0.902 -5.075 1.00 21.24 C ATOM 1168 C ALA A 82 -16.283 -0.030 -6.058 1.00 31.01 C ATOM 1169 O ALA A 82 -17.485 0.132 -6.292 1.00 11.42 O ATOM 1170 CB ALA A 82 -15.038 2.093 -5.875 1.00 15.41 C ATOM 0 H ALA A 82 -13.552 0.477 -4.857 1.00 71.42 H new ATOM 0 HA ALA A 82 -16.266 1.216 -4.297 1.00 21.24 H new ATOM 0 HB1 ALA A 82 -15.869 2.609 -6.355 1.00 15.41 H new ATOM 0 HB2 ALA A 82 -14.522 2.781 -5.205 1.00 15.41 H new ATOM 0 HB3 ALA A 82 -14.343 1.739 -6.636 1.00 15.41 H new ATOM 1176 N SER A 83 -15.551 -0.986 -6.639 1.00 14.12 N ATOM 1177 CA SER A 83 -16.062 -1.934 -7.611 1.00 32.14 C ATOM 1178 C SER A 83 -17.279 -2.680 -7.084 1.00 53.23 C ATOM 1179 O SER A 83 -18.342 -2.615 -7.704 1.00 45.53 O ATOM 1180 CB SER A 83 -14.945 -2.897 -8.048 1.00 1.20 C ATOM 1181 OG SER A 83 -15.338 -3.685 -9.151 1.00 32.31 O ATOM 0 H SER A 83 -14.560 -1.118 -6.435 1.00 14.12 H new ATOM 0 HA SER A 83 -16.396 -1.380 -8.488 1.00 32.14 H new ATOM 0 HB2 SER A 83 -14.053 -2.326 -8.308 1.00 1.20 H new ATOM 0 HB3 SER A 83 -14.677 -3.546 -7.214 1.00 1.20 H new ATOM 0 HG SER A 83 -14.604 -4.284 -9.403 1.00 32.31 H new ATOM 1187 N GLU A 84 -17.165 -3.356 -5.942 1.00 73.04 N ATOM 1188 CA GLU A 84 -18.267 -4.130 -5.397 1.00 63.52 C ATOM 1189 C GLU A 84 -18.167 -4.184 -3.872 1.00 23.20 C ATOM 1190 O GLU A 84 -17.210 -3.693 -3.266 1.00 64.44 O ATOM 1191 CB GLU A 84 -18.147 -5.532 -6.048 1.00 62.53 C ATOM 1192 CG GLU A 84 -19.445 -6.336 -6.221 1.00 2.22 C ATOM 1193 CD GLU A 84 -19.881 -7.082 -4.964 1.00 54.33 C ATOM 1194 OE1 GLU A 84 -19.092 -7.876 -4.397 1.00 62.10 O ATOM 1195 OE2 GLU A 84 -21.011 -6.833 -4.498 1.00 14.44 O ATOM 0 H GLU A 84 -16.315 -3.380 -5.378 1.00 73.04 H new ATOM 0 HA GLU A 84 -19.240 -3.691 -5.615 1.00 63.52 H new ATOM 0 HB2 GLU A 84 -17.690 -5.411 -7.030 1.00 62.53 H new ATOM 0 HB3 GLU A 84 -17.458 -6.126 -5.447 1.00 62.53 H new ATOM 0 HG2 GLU A 84 -20.243 -5.658 -6.525 1.00 2.22 H new ATOM 0 HG3 GLU A 84 -19.311 -7.054 -7.030 1.00 2.22 H new ATOM 1202 N GLU A 85 -19.167 -4.799 -3.246 1.00 13.40 N ATOM 1203 CA GLU A 85 -19.276 -5.011 -1.814 1.00 30.21 C ATOM 1204 C GLU A 85 -17.992 -5.711 -1.346 1.00 31.31 C ATOM 1205 O GLU A 85 -17.419 -5.389 -0.304 1.00 50.24 O ATOM 1206 CB GLU A 85 -20.510 -5.898 -1.610 1.00 22.21 C ATOM 1207 CG GLU A 85 -21.061 -5.983 -0.193 1.00 64.40 C ATOM 1208 CD GLU A 85 -21.886 -4.761 0.219 1.00 21.54 C ATOM 1209 OE1 GLU A 85 -21.930 -3.739 -0.499 1.00 42.52 O ATOM 1210 OE2 GLU A 85 -22.486 -4.806 1.316 1.00 42.22 O ATOM 0 H GLU A 85 -19.963 -5.182 -3.756 1.00 13.40 H new ATOM 0 HA GLU A 85 -19.387 -4.088 -1.244 1.00 30.21 H new ATOM 0 HB2 GLU A 85 -21.303 -5.534 -2.263 1.00 22.21 H new ATOM 0 HB3 GLU A 85 -20.263 -6.907 -1.941 1.00 22.21 H new ATOM 0 HG2 GLU A 85 -21.681 -6.875 -0.106 1.00 64.40 H new ATOM 0 HG3 GLU A 85 -20.231 -6.102 0.504 1.00 64.40 H new ATOM 1217 N GLY A 86 -17.521 -6.692 -2.123 1.00 34.15 N ATOM 1218 CA GLY A 86 -16.308 -7.444 -1.866 1.00 64.52 C ATOM 1219 C GLY A 86 -16.249 -8.165 -0.519 1.00 74.15 C ATOM 1220 O GLY A 86 -15.164 -8.619 -0.164 1.00 60.12 O ATOM 0 H GLY A 86 -17.997 -6.987 -2.975 1.00 34.15 H new ATOM 0 HA2 GLY A 86 -16.185 -8.182 -2.658 1.00 64.52 H new ATOM 0 HA3 GLY A 86 -15.459 -6.763 -1.930 1.00 64.52 H new ATOM 1224 N GLY A 87 -17.354 -8.260 0.228 1.00 12.13 N ATOM 1225 CA GLY A 87 -17.423 -8.911 1.535 1.00 70.04 C ATOM 1226 C GLY A 87 -17.930 -7.991 2.653 1.00 64.23 C ATOM 1227 O GLY A 87 -18.148 -8.462 3.770 1.00 51.21 O ATOM 0 H GLY A 87 -18.249 -7.874 -0.071 1.00 12.13 H new ATOM 0 HA2 GLY A 87 -18.078 -9.779 1.465 1.00 70.04 H new ATOM 0 HA3 GLY A 87 -16.432 -9.280 1.801 1.00 70.04 H new ATOM 1231 N GLY A 88 -18.145 -6.697 2.392 1.00 2.41 N ATOM 1232 CA GLY A 88 -18.614 -5.762 3.404 1.00 12.13 C ATOM 1233 C GLY A 88 -18.736 -4.358 2.831 1.00 1.31 C ATOM 1234 O GLY A 88 -19.128 -4.181 1.678 1.00 14.03 O ATOM 0 H GLY A 88 -17.998 -6.276 1.475 1.00 2.41 H new ATOM 0 HA2 GLY A 88 -19.581 -6.088 3.786 1.00 12.13 H new ATOM 0 HA3 GLY A 88 -17.924 -5.756 4.247 1.00 12.13 H new ATOM 1238 N SER A 89 -18.430 -3.348 3.639 1.00 71.31 N ATOM 1239 CA SER A 89 -18.488 -1.949 3.242 1.00 64.32 C ATOM 1240 C SER A 89 -17.080 -1.355 3.237 1.00 11.12 C ATOM 1241 O SER A 89 -16.175 -1.902 3.871 1.00 70.42 O ATOM 1242 CB SER A 89 -19.405 -1.200 4.210 1.00 51.04 C ATOM 1243 OG SER A 89 -20.694 -1.792 4.313 1.00 23.23 O ATOM 0 H SER A 89 -18.130 -3.483 4.604 1.00 71.31 H new ATOM 0 HA SER A 89 -18.892 -1.856 2.234 1.00 64.32 H new ATOM 0 HB2 SER A 89 -18.942 -1.174 5.196 1.00 51.04 H new ATOM 0 HB3 SER A 89 -19.509 -0.167 3.879 1.00 51.04 H new ATOM 0 HG SER A 89 -21.240 -1.278 4.944 1.00 23.23 H new ATOM 1249 N LEU A 90 -16.896 -0.211 2.564 1.00 33.32 N ATOM 1250 CA LEU A 90 -15.619 0.507 2.470 1.00 33.55 C ATOM 1251 C LEU A 90 -15.038 0.743 3.872 1.00 33.42 C ATOM 1252 O LEU A 90 -13.823 0.679 4.057 1.00 64.03 O ATOM 1253 CB LEU A 90 -15.831 1.847 1.740 1.00 43.25 C ATOM 1254 CG LEU A 90 -15.531 1.812 0.224 1.00 1.53 C ATOM 1255 CD1 LEU A 90 -16.437 2.798 -0.518 1.00 4.54 C ATOM 1256 CD2 LEU A 90 -14.075 2.196 -0.032 1.00 15.45 C ATOM 0 H LEU A 90 -17.651 0.252 2.057 1.00 33.32 H new ATOM 0 HA LEU A 90 -14.910 -0.096 1.903 1.00 33.55 H new ATOM 0 HB2 LEU A 90 -16.864 2.164 1.885 1.00 43.25 H new ATOM 0 HB3 LEU A 90 -15.197 2.602 2.205 1.00 43.25 H new ATOM 0 HG LEU A 90 -15.715 0.800 -0.138 1.00 1.53 H new ATOM 0 HD11 LEU A 90 -16.216 2.764 -1.585 1.00 4.54 H new ATOM 0 HD12 LEU A 90 -17.480 2.527 -0.355 1.00 4.54 H new ATOM 0 HD13 LEU A 90 -16.261 3.806 -0.143 1.00 4.54 H new ATOM 0 HD21 LEU A 90 -13.874 2.168 -1.103 1.00 15.45 H new ATOM 0 HD22 LEU A 90 -13.892 3.202 0.345 1.00 15.45 H new ATOM 0 HD23 LEU A 90 -13.418 1.492 0.479 1.00 15.45 H new ATOM 1268 N SER A 91 -15.897 1.005 4.856 1.00 0.12 N ATOM 1269 CA SER A 91 -15.585 1.235 6.259 1.00 44.31 C ATOM 1270 C SER A 91 -14.877 0.010 6.851 1.00 45.31 C ATOM 1271 O SER A 91 -13.771 0.119 7.392 1.00 51.02 O ATOM 1272 CB SER A 91 -16.915 1.529 6.980 1.00 64.44 C ATOM 1273 OG SER A 91 -17.990 0.791 6.410 1.00 52.52 O ATOM 0 H SER A 91 -16.899 1.066 4.677 1.00 0.12 H new ATOM 0 HA SER A 91 -14.906 2.079 6.380 1.00 44.31 H new ATOM 0 HB2 SER A 91 -16.820 1.279 8.037 1.00 64.44 H new ATOM 0 HB3 SER A 91 -17.133 2.595 6.923 1.00 64.44 H new ATOM 0 HG SER A 91 -18.819 0.998 6.890 1.00 52.52 H new ATOM 1279 N THR A 92 -15.486 -1.165 6.708 1.00 12.14 N ATOM 1280 CA THR A 92 -14.966 -2.435 7.192 1.00 45.22 C ATOM 1281 C THR A 92 -13.644 -2.734 6.474 1.00 12.44 C ATOM 1282 O THR A 92 -12.602 -2.971 7.088 1.00 45.15 O ATOM 1283 CB THR A 92 -16.004 -3.545 6.904 1.00 52.52 C ATOM 1284 OG1 THR A 92 -17.338 -3.048 6.921 1.00 63.24 O ATOM 1285 CG2 THR A 92 -15.857 -4.680 7.914 1.00 33.21 C ATOM 0 H THR A 92 -16.385 -1.259 6.236 1.00 12.14 H new ATOM 0 HA THR A 92 -14.785 -2.392 8.266 1.00 45.22 H new ATOM 0 HB THR A 92 -15.806 -3.922 5.901 1.00 52.52 H new ATOM 0 HG1 THR A 92 -17.962 -3.780 6.733 1.00 63.24 H new ATOM 0 HG21 THR A 92 -16.593 -5.455 7.700 1.00 33.21 H new ATOM 0 HG22 THR A 92 -14.855 -5.102 7.843 1.00 33.21 H new ATOM 0 HG23 THR A 92 -16.018 -4.294 8.921 1.00 33.21 H new ATOM 1293 N LYS A 93 -13.686 -2.651 5.143 1.00 30.22 N ATOM 1294 CA LYS A 93 -12.581 -2.903 4.236 1.00 72.42 C ATOM 1295 C LYS A 93 -11.335 -2.117 4.642 1.00 3.24 C ATOM 1296 O LYS A 93 -10.284 -2.722 4.869 1.00 10.42 O ATOM 1297 CB LYS A 93 -13.087 -2.627 2.805 1.00 23.35 C ATOM 1298 CG LYS A 93 -12.390 -3.491 1.754 1.00 31.31 C ATOM 1299 CD LYS A 93 -13.017 -3.370 0.354 1.00 72.21 C ATOM 1300 CE LYS A 93 -14.498 -3.762 0.231 1.00 2.32 C ATOM 1301 NZ LYS A 93 -14.719 -5.206 0.417 1.00 34.30 N ATOM 0 H LYS A 93 -14.540 -2.392 4.650 1.00 30.22 H new ATOM 0 HA LYS A 93 -12.253 -3.942 4.280 1.00 72.42 H new ATOM 0 HB2 LYS A 93 -14.161 -2.808 2.763 1.00 23.35 H new ATOM 0 HB3 LYS A 93 -12.931 -1.575 2.566 1.00 23.35 H new ATOM 0 HG2 LYS A 93 -11.339 -3.208 1.700 1.00 31.31 H new ATOM 0 HG3 LYS A 93 -12.423 -4.534 2.071 1.00 31.31 H new ATOM 0 HD2 LYS A 93 -12.908 -2.338 0.019 1.00 72.21 H new ATOM 0 HD3 LYS A 93 -12.441 -3.991 -0.333 1.00 72.21 H new ATOM 0 HE2 LYS A 93 -15.078 -3.211 0.971 1.00 2.32 H new ATOM 0 HE3 LYS A 93 -14.868 -3.465 -0.750 1.00 2.32 H new ATOM 0 HZ1 LYS A 93 -15.731 -5.419 0.307 1.00 34.30 H new ATOM 0 HZ2 LYS A 93 -14.175 -5.735 -0.294 1.00 34.30 H new ATOM 0 HZ3 LYS A 93 -14.408 -5.485 1.369 1.00 34.30 H new ATOM 1315 N THR A 94 -11.442 -0.795 4.778 1.00 44.50 N ATOM 1316 CA THR A 94 -10.324 0.067 5.159 1.00 24.12 C ATOM 1317 C THR A 94 -9.764 -0.301 6.536 1.00 13.44 C ATOM 1318 O THR A 94 -8.542 -0.331 6.724 1.00 23.23 O ATOM 1319 CB THR A 94 -10.724 1.547 5.077 1.00 70.41 C ATOM 1320 OG1 THR A 94 -11.965 1.789 5.708 1.00 35.21 O ATOM 1321 CG2 THR A 94 -10.804 2.017 3.629 1.00 73.32 C ATOM 0 H THR A 94 -12.314 -0.289 4.625 1.00 44.50 H new ATOM 0 HA THR A 94 -9.518 -0.097 4.444 1.00 24.12 H new ATOM 0 HB THR A 94 -9.948 2.108 5.598 1.00 70.41 H new ATOM 0 HG1 THR A 94 -12.694 1.530 5.106 1.00 35.21 H new ATOM 0 HG21 THR A 94 -11.089 3.069 3.603 1.00 73.32 H new ATOM 0 HG22 THR A 94 -9.832 1.893 3.152 1.00 73.32 H new ATOM 0 HG23 THR A 94 -11.548 1.426 3.095 1.00 73.32 H new ATOM 1329 N SER A 95 -10.638 -0.624 7.491 1.00 22.30 N ATOM 1330 CA SER A 95 -10.225 -1.005 8.833 1.00 44.35 C ATOM 1331 C SER A 95 -9.416 -2.313 8.787 1.00 4.11 C ATOM 1332 O SER A 95 -8.439 -2.460 9.529 1.00 12.10 O ATOM 1333 CB SER A 95 -11.472 -1.108 9.720 1.00 21.02 C ATOM 1334 OG SER A 95 -11.135 -0.973 11.089 1.00 73.23 O ATOM 0 H SER A 95 -11.648 -0.627 7.351 1.00 22.30 H new ATOM 0 HA SER A 95 -9.567 -0.250 9.264 1.00 44.35 H new ATOM 0 HB2 SER A 95 -12.187 -0.334 9.440 1.00 21.02 H new ATOM 0 HB3 SER A 95 -11.961 -2.068 9.555 1.00 21.02 H new ATOM 0 HG SER A 95 -11.947 -1.040 11.634 1.00 73.23 H new ATOM 1340 N SER A 96 -9.778 -3.254 7.908 1.00 73.03 N ATOM 1341 CA SER A 96 -9.073 -4.522 7.780 1.00 65.44 C ATOM 1342 C SER A 96 -7.694 -4.304 7.151 1.00 34.51 C ATOM 1343 O SER A 96 -6.727 -4.929 7.583 1.00 44.24 O ATOM 1344 CB SER A 96 -9.918 -5.513 6.974 1.00 2.10 C ATOM 1345 OG SER A 96 -10.866 -6.134 7.815 1.00 45.35 O ATOM 0 H SER A 96 -10.567 -3.153 7.269 1.00 73.03 H new ATOM 0 HA SER A 96 -8.915 -4.949 8.770 1.00 65.44 H new ATOM 0 HB2 SER A 96 -10.426 -4.994 6.161 1.00 2.10 H new ATOM 0 HB3 SER A 96 -9.275 -6.266 6.519 1.00 2.10 H new ATOM 0 HG SER A 96 -10.826 -7.105 7.692 1.00 45.35 H new ATOM 1351 N ILE A 97 -7.578 -3.400 6.172 1.00 43.00 N ATOM 1352 CA ILE A 97 -6.316 -3.086 5.496 1.00 10.23 C ATOM 1353 C ILE A 97 -5.288 -2.633 6.521 1.00 12.02 C ATOM 1354 O ILE A 97 -4.166 -3.130 6.504 1.00 24.31 O ATOM 1355 CB ILE A 97 -6.547 -1.978 4.453 1.00 24.31 C ATOM 1356 CG1 ILE A 97 -7.295 -2.538 3.237 1.00 74.22 C ATOM 1357 CG2 ILE A 97 -5.268 -1.265 3.973 1.00 60.43 C ATOM 1358 CD1 ILE A 97 -8.175 -1.467 2.575 1.00 14.31 C ATOM 0 H ILE A 97 -8.369 -2.859 5.823 1.00 43.00 H new ATOM 0 HA ILE A 97 -5.945 -3.977 4.989 1.00 10.23 H new ATOM 0 HB ILE A 97 -7.143 -1.225 4.969 1.00 24.31 H new ATOM 0 HG12 ILE A 97 -6.577 -2.920 2.511 1.00 74.22 H new ATOM 0 HG13 ILE A 97 -7.915 -3.380 3.546 1.00 74.22 H new ATOM 0 HG21 ILE A 97 -5.530 -0.502 3.241 1.00 60.43 H new ATOM 0 HG22 ILE A 97 -4.771 -0.797 4.823 1.00 60.43 H new ATOM 0 HG23 ILE A 97 -4.596 -1.991 3.515 1.00 60.43 H new ATOM 0 HD11 ILE A 97 -8.690 -1.899 1.717 1.00 14.31 H new ATOM 0 HD12 ILE A 97 -8.909 -1.104 3.294 1.00 14.31 H new ATOM 0 HD13 ILE A 97 -7.551 -0.637 2.243 1.00 14.31 H new ATOM 1370 N ALA A 98 -5.654 -1.696 7.402 1.00 2.14 N ATOM 1371 CA ALA A 98 -4.734 -1.196 8.413 1.00 41.41 C ATOM 1372 C ALA A 98 -4.195 -2.338 9.269 1.00 3.13 C ATOM 1373 O ALA A 98 -2.999 -2.389 9.547 1.00 43.12 O ATOM 1374 CB ALA A 98 -5.421 -0.134 9.263 1.00 55.35 C ATOM 0 H ALA A 98 -6.582 -1.273 7.430 1.00 2.14 H new ATOM 0 HA ALA A 98 -3.881 -0.734 7.917 1.00 41.41 H new ATOM 0 HB1 ALA A 98 -4.725 0.235 10.017 1.00 55.35 H new ATOM 0 HB2 ALA A 98 -5.738 0.692 8.627 1.00 55.35 H new ATOM 0 HB3 ALA A 98 -6.292 -0.568 9.754 1.00 55.35 H new ATOM 1380 N SER A 99 -5.056 -3.279 9.656 1.00 10.30 N ATOM 1381 CA SER A 99 -4.606 -4.400 10.470 1.00 14.22 C ATOM 1382 C SER A 99 -3.746 -5.355 9.622 1.00 1.14 C ATOM 1383 O SER A 99 -2.792 -5.943 10.139 1.00 3.25 O ATOM 1384 CB SER A 99 -5.792 -5.043 11.196 1.00 11.32 C ATOM 1385 OG SER A 99 -5.396 -5.642 12.415 1.00 15.24 O ATOM 0 H SER A 99 -6.049 -3.286 9.423 1.00 10.30 H new ATOM 0 HA SER A 99 -3.947 -4.060 11.269 1.00 14.22 H new ATOM 0 HB2 SER A 99 -6.552 -4.287 11.392 1.00 11.32 H new ATOM 0 HB3 SER A 99 -6.249 -5.795 10.552 1.00 11.32 H new ATOM 0 HG SER A 99 -6.177 -6.041 12.852 1.00 15.24 H new ATOM 1391 N ALA A 100 -4.006 -5.500 8.313 1.00 3.21 N ATOM 1392 CA ALA A 100 -3.172 -6.369 7.487 1.00 14.23 C ATOM 1393 C ALA A 100 -1.788 -5.712 7.299 1.00 34.11 C ATOM 1394 O ALA A 100 -0.778 -6.413 7.244 1.00 42.13 O ATOM 1395 CB ALA A 100 -3.846 -6.657 6.147 1.00 13.54 C ATOM 0 H ALA A 100 -4.769 -5.037 7.819 1.00 3.21 H new ATOM 0 HA ALA A 100 -3.039 -7.328 7.987 1.00 14.23 H new ATOM 0 HB1 ALA A 100 -3.206 -7.306 5.550 1.00 13.54 H new ATOM 0 HB2 ALA A 100 -4.803 -7.150 6.319 1.00 13.54 H new ATOM 0 HB3 ALA A 100 -4.011 -5.721 5.614 1.00 13.54 H new ATOM 1401 N LEU A 101 -1.730 -4.373 7.213 1.00 24.21 N ATOM 1402 CA LEU A 101 -0.508 -3.572 7.058 1.00 51.20 C ATOM 1403 C LEU A 101 0.314 -3.621 8.341 1.00 34.41 C ATOM 1404 O LEU A 101 1.544 -3.636 8.278 1.00 1.24 O ATOM 1405 CB LEU A 101 -0.840 -2.092 6.788 1.00 71.13 C ATOM 1406 CG LEU A 101 -1.305 -1.792 5.359 1.00 42.20 C ATOM 1407 CD1 LEU A 101 -1.981 -0.419 5.304 1.00 73.30 C ATOM 1408 CD2 LEU A 101 -0.137 -1.791 4.373 1.00 5.03 C ATOM 0 H LEU A 101 -2.570 -3.796 7.251 1.00 24.21 H new ATOM 0 HA LEU A 101 0.046 -3.990 6.217 1.00 51.20 H new ATOM 0 HB2 LEU A 101 -1.618 -1.775 7.483 1.00 71.13 H new ATOM 0 HB3 LEU A 101 0.043 -1.490 7.002 1.00 71.13 H new ATOM 0 HG LEU A 101 -2.006 -2.578 5.077 1.00 42.20 H new ATOM 0 HD11 LEU A 101 -2.308 -0.215 4.284 1.00 73.30 H new ATOM 0 HD12 LEU A 101 -2.844 -0.411 5.970 1.00 73.30 H new ATOM 0 HD13 LEU A 101 -1.273 0.348 5.618 1.00 73.30 H new ATOM 0 HD21 LEU A 101 -0.507 -1.575 3.371 1.00 5.03 H new ATOM 0 HD22 LEU A 101 0.585 -1.029 4.666 1.00 5.03 H new ATOM 0 HD23 LEU A 101 0.345 -2.769 4.379 1.00 5.03 H new ATOM 1420 N SER A 102 -0.373 -3.620 9.484 1.00 1.12 N ATOM 1421 CA SER A 102 0.194 -3.682 10.818 1.00 53.44 C ATOM 1422 C SER A 102 1.006 -4.966 10.906 1.00 40.11 C ATOM 1423 O SER A 102 2.223 -4.927 11.100 1.00 70.21 O ATOM 1424 CB SER A 102 -0.986 -3.618 11.801 1.00 35.24 C ATOM 1425 OG SER A 102 -0.652 -3.656 13.167 1.00 20.53 O ATOM 0 H SER A 102 -1.392 -3.573 9.497 1.00 1.12 H new ATOM 0 HA SER A 102 0.870 -2.861 11.058 1.00 53.44 H new ATOM 0 HB2 SER A 102 -1.544 -2.702 11.609 1.00 35.24 H new ATOM 0 HB3 SER A 102 -1.657 -4.450 11.588 1.00 35.24 H new ATOM 0 HG SER A 102 -1.470 -3.608 13.705 1.00 20.53 H new ATOM 1431 N ASN A 103 0.341 -6.099 10.661 1.00 3.35 N ATOM 1432 CA ASN A 103 0.999 -7.390 10.711 1.00 10.21 C ATOM 1433 C ASN A 103 2.098 -7.486 9.651 1.00 43.31 C ATOM 1434 O ASN A 103 3.177 -7.974 9.956 1.00 24.24 O ATOM 1435 CB ASN A 103 -0.029 -8.515 10.554 1.00 61.32 C ATOM 1436 CG ASN A 103 0.499 -9.806 11.170 1.00 2.30 C ATOM 1437 OD1 ASN A 103 1.043 -10.663 10.479 1.00 51.25 O ATOM 1438 ND2 ASN A 103 0.342 -9.974 12.470 1.00 30.22 N ATOM 0 H ASN A 103 -0.651 -6.139 10.427 1.00 3.35 H new ATOM 0 HA ASN A 103 1.476 -7.500 11.685 1.00 10.21 H new ATOM 0 HB2 ASN A 103 -0.965 -8.231 11.035 1.00 61.32 H new ATOM 0 HB3 ASN A 103 -0.248 -8.671 9.498 1.00 61.32 H new ATOM 0 HD21 ASN A 103 0.675 -10.828 12.918 1.00 30.22 H new ATOM 0 HD22 ASN A 103 -0.113 -9.250 13.027 1.00 30.22 H new ATOM 1445 N ALA A 104 1.879 -6.951 8.441 1.00 2.34 N ATOM 1446 CA ALA A 104 2.849 -7.000 7.348 1.00 41.44 C ATOM 1447 C ALA A 104 4.228 -6.454 7.726 1.00 54.24 C ATOM 1448 O ALA A 104 5.220 -7.007 7.265 1.00 71.04 O ATOM 1449 CB ALA A 104 2.309 -6.283 6.100 1.00 65.45 C ATOM 0 H ALA A 104 1.014 -6.469 8.196 1.00 2.34 H new ATOM 0 HA ALA A 104 2.989 -8.057 7.123 1.00 41.44 H new ATOM 0 HB1 ALA A 104 3.050 -6.334 5.302 1.00 65.45 H new ATOM 0 HB2 ALA A 104 1.389 -6.766 5.772 1.00 65.45 H new ATOM 0 HB3 ALA A 104 2.105 -5.239 6.340 1.00 65.45 H new ATOM 1455 N PHE A 105 4.310 -5.378 8.519 1.00 34.41 N ATOM 1456 CA PHE A 105 5.608 -4.825 8.912 1.00 3.31 C ATOM 1457 C PHE A 105 6.240 -5.673 10.022 1.00 14.44 C ATOM 1458 O PHE A 105 7.461 -5.816 10.091 1.00 40.34 O ATOM 1459 CB PHE A 105 5.470 -3.355 9.334 1.00 71.03 C ATOM 1460 CG PHE A 105 6.562 -2.443 8.784 1.00 53.31 C ATOM 1461 CD1 PHE A 105 7.899 -2.589 9.202 1.00 32.54 C ATOM 1462 CD2 PHE A 105 6.248 -1.420 7.865 1.00 20.43 C ATOM 1463 CE1 PHE A 105 8.886 -1.691 8.765 1.00 11.34 C ATOM 1464 CE2 PHE A 105 7.239 -0.528 7.420 1.00 10.25 C ATOM 1465 CZ PHE A 105 8.558 -0.651 7.884 1.00 11.12 C ATOM 0 H PHE A 105 3.503 -4.880 8.896 1.00 34.41 H new ATOM 0 HA PHE A 105 6.274 -4.856 8.050 1.00 3.31 H new ATOM 0 HB2 PHE A 105 4.500 -2.983 9.003 1.00 71.03 H new ATOM 0 HB3 PHE A 105 5.479 -3.298 10.422 1.00 71.03 H new ATOM 0 HD1 PHE A 105 8.167 -3.399 9.864 1.00 32.54 H new ATOM 0 HD2 PHE A 105 5.236 -1.321 7.500 1.00 20.43 H new ATOM 0 HE1 PHE A 105 9.904 -1.802 9.110 1.00 11.34 H new ATOM 0 HE2 PHE A 105 6.985 0.254 6.719 1.00 10.25 H new ATOM 0 HZ PHE A 105 9.315 0.050 7.565 1.00 11.12 H new ATOM 1475 N LEU A 106 5.420 -6.240 10.913 1.00 31.25 N ATOM 1476 CA LEU A 106 5.938 -7.081 11.987 1.00 14.21 C ATOM 1477 C LEU A 106 6.531 -8.350 11.389 1.00 13.01 C ATOM 1478 O LEU A 106 7.578 -8.811 11.837 1.00 73.25 O ATOM 1479 CB LEU A 106 4.853 -7.434 13.011 1.00 74.21 C ATOM 1480 CG LEU A 106 4.358 -6.228 13.819 1.00 1.15 C ATOM 1481 CD1 LEU A 106 3.312 -6.693 14.824 1.00 43.30 C ATOM 1482 CD2 LEU A 106 5.497 -5.536 14.570 1.00 2.53 C ATOM 0 H LEU A 106 4.406 -6.131 10.909 1.00 31.25 H new ATOM 0 HA LEU A 106 6.710 -6.522 12.516 1.00 14.21 H new ATOM 0 HB2 LEU A 106 4.007 -7.885 12.492 1.00 74.21 H new ATOM 0 HB3 LEU A 106 5.243 -8.186 13.697 1.00 74.21 H new ATOM 0 HG LEU A 106 3.931 -5.510 13.119 1.00 1.15 H new ATOM 0 HD11 LEU A 106 2.957 -5.839 15.401 1.00 43.30 H new ATOM 0 HD12 LEU A 106 2.474 -7.146 14.294 1.00 43.30 H new ATOM 0 HD13 LEU A 106 3.755 -7.427 15.497 1.00 43.30 H new ATOM 0 HD21 LEU A 106 5.102 -4.688 15.129 1.00 2.53 H new ATOM 0 HD22 LEU A 106 5.959 -6.242 15.260 1.00 2.53 H new ATOM 0 HD23 LEU A 106 6.243 -5.185 13.857 1.00 2.53 H new ATOM 1494 N GLN A 107 5.894 -8.885 10.350 1.00 12.04 N ATOM 1495 CA GLN A 107 6.345 -10.082 9.671 1.00 61.44 C ATOM 1496 C GLN A 107 7.703 -9.873 8.996 1.00 14.13 C ATOM 1497 O GLN A 107 8.438 -10.848 8.871 1.00 34.42 O ATOM 1498 CB GLN A 107 5.299 -10.503 8.634 1.00 71.42 C ATOM 1499 CG GLN A 107 3.988 -11.020 9.251 1.00 34.33 C ATOM 1500 CD GLN A 107 4.098 -12.375 9.934 1.00 53.02 C ATOM 1501 OE1 GLN A 107 5.151 -12.999 9.966 1.00 2.13 O ATOM 1502 NE2 GLN A 107 3.011 -12.830 10.533 1.00 15.20 N ATOM 0 H GLN A 107 5.040 -8.489 9.956 1.00 12.04 H new ATOM 0 HA GLN A 107 6.468 -10.870 10.414 1.00 61.44 H new ATOM 0 HB2 GLN A 107 5.076 -9.652 7.990 1.00 71.42 H new ATOM 0 HB3 GLN A 107 5.723 -11.281 7.999 1.00 71.42 H new ATOM 0 HG2 GLN A 107 3.632 -10.290 9.978 1.00 34.33 H new ATOM 0 HG3 GLN A 107 3.234 -11.084 8.467 1.00 34.33 H new ATOM 0 HE21 GLN A 107 2.144 -12.293 10.493 1.00 15.20 H new ATOM 0 HE22 GLN A 107 3.039 -13.718 11.035 1.00 15.20 H new ATOM 1511 N THR A 108 8.063 -8.654 8.579 1.00 11.15 N ATOM 1512 CA THR A 108 9.341 -8.393 7.928 1.00 53.44 C ATOM 1513 C THR A 108 10.427 -7.995 8.930 1.00 41.55 C ATOM 1514 O THR A 108 11.463 -8.655 8.969 1.00 65.24 O ATOM 1515 CB THR A 108 9.175 -7.333 6.822 1.00 32.23 C ATOM 1516 OG1 THR A 108 8.383 -6.248 7.265 1.00 73.11 O ATOM 1517 CG2 THR A 108 8.500 -7.927 5.583 1.00 35.34 C ATOM 0 H THR A 108 7.476 -7.827 8.685 1.00 11.15 H new ATOM 0 HA THR A 108 9.673 -9.322 7.465 1.00 53.44 H new ATOM 0 HB THR A 108 10.178 -6.986 6.573 1.00 32.23 H new ATOM 0 HG1 THR A 108 7.435 -6.490 7.207 1.00 73.11 H new ATOM 0 HG21 THR A 108 8.396 -7.156 4.820 1.00 35.34 H new ATOM 0 HG22 THR A 108 9.108 -8.743 5.193 1.00 35.34 H new ATOM 0 HG23 THR A 108 7.514 -8.306 5.852 1.00 35.34 H new ATOM 1525 N THR A 109 10.208 -6.965 9.759 1.00 12.51 N ATOM 1526 CA THR A 109 11.217 -6.502 10.717 1.00 63.42 C ATOM 1527 C THR A 109 10.770 -6.447 12.182 1.00 64.50 C ATOM 1528 O THR A 109 11.552 -6.011 13.037 1.00 75.32 O ATOM 1529 CB THR A 109 11.820 -5.176 10.218 1.00 43.23 C ATOM 1530 OG1 THR A 109 10.829 -4.212 9.927 1.00 60.41 O ATOM 1531 CG2 THR A 109 12.629 -5.378 8.939 1.00 71.25 C ATOM 0 H THR A 109 9.336 -6.436 9.784 1.00 12.51 H new ATOM 0 HA THR A 109 11.992 -7.268 10.745 1.00 63.42 H new ATOM 0 HB THR A 109 12.456 -4.825 11.031 1.00 43.23 H new ATOM 0 HG1 THR A 109 11.257 -3.387 9.615 1.00 60.41 H new ATOM 0 HG21 THR A 109 13.040 -4.422 8.614 1.00 71.25 H new ATOM 0 HG22 THR A 109 13.443 -6.077 9.130 1.00 71.25 H new ATOM 0 HG23 THR A 109 11.982 -5.779 8.159 1.00 71.25 H new ATOM 1539 N GLY A 110 9.550 -6.854 12.531 1.00 72.32 N ATOM 1540 CA GLY A 110 9.101 -6.841 13.918 1.00 72.21 C ATOM 1541 C GLY A 110 8.868 -5.438 14.475 1.00 70.03 C ATOM 1542 O GLY A 110 8.769 -5.291 15.694 1.00 25.33 O ATOM 0 H GLY A 110 8.855 -7.197 11.868 1.00 72.32 H new ATOM 0 HA2 GLY A 110 8.176 -7.412 13.996 1.00 72.21 H new ATOM 0 HA3 GLY A 110 9.842 -7.349 14.535 1.00 72.21 H new ATOM 1546 N VAL A 111 8.830 -4.396 13.638 1.00 33.34 N ATOM 1547 CA VAL A 111 8.582 -3.034 14.073 1.00 75.35 C ATOM 1548 C VAL A 111 7.365 -2.543 13.296 1.00 14.42 C ATOM 1549 O VAL A 111 7.231 -2.817 12.105 1.00 0.45 O ATOM 1550 CB VAL A 111 9.827 -2.152 13.918 1.00 30.23 C ATOM 1551 CG1 VAL A 111 10.984 -2.687 14.771 1.00 2.34 C ATOM 1552 CG2 VAL A 111 10.314 -1.962 12.482 1.00 73.34 C ATOM 0 H VAL A 111 8.973 -4.484 12.632 1.00 33.34 H new ATOM 0 HA VAL A 111 8.365 -2.985 15.140 1.00 75.35 H new ATOM 0 HB VAL A 111 9.506 -1.170 14.265 1.00 30.23 H new ATOM 0 HG11 VAL A 111 11.856 -2.045 14.645 1.00 2.34 H new ATOM 0 HG12 VAL A 111 10.689 -2.696 15.820 1.00 2.34 H new ATOM 0 HG13 VAL A 111 11.231 -3.701 14.455 1.00 2.34 H new ATOM 0 HG21 VAL A 111 11.198 -1.324 12.479 1.00 73.34 H new ATOM 0 HG22 VAL A 111 10.565 -2.931 12.052 1.00 73.34 H new ATOM 0 HG23 VAL A 111 9.527 -1.495 11.890 1.00 73.34 H new ATOM 1562 N VAL A 112 6.407 -1.938 13.983 1.00 35.23 N ATOM 1563 CA VAL A 112 5.187 -1.406 13.391 1.00 41.15 C ATOM 1564 C VAL A 112 5.066 0.053 13.816 1.00 32.43 C ATOM 1565 O VAL A 112 5.444 0.385 14.942 1.00 0.43 O ATOM 1566 CB VAL A 112 4.007 -2.333 13.727 1.00 1.54 C ATOM 1567 CG1 VAL A 112 3.671 -2.373 15.218 1.00 42.43 C ATOM 1568 CG2 VAL A 112 2.753 -1.995 12.928 1.00 52.15 C ATOM 0 H VAL A 112 6.457 -1.800 14.992 1.00 35.23 H new ATOM 0 HA VAL A 112 5.198 -1.393 12.301 1.00 41.15 H new ATOM 0 HB VAL A 112 4.349 -3.327 13.437 1.00 1.54 H new ATOM 0 HG11 VAL A 112 2.830 -3.046 15.383 1.00 42.43 H new ATOM 0 HG12 VAL A 112 4.536 -2.730 15.777 1.00 42.43 H new ATOM 0 HG13 VAL A 112 3.407 -1.372 15.559 1.00 42.43 H new ATOM 0 HG21 VAL A 112 1.951 -2.679 13.204 1.00 52.15 H new ATOM 0 HG22 VAL A 112 2.448 -0.971 13.146 1.00 52.15 H new ATOM 0 HG23 VAL A 112 2.963 -2.092 11.863 1.00 52.15 H new ATOM 1578 N ASN A 113 4.526 0.918 12.954 1.00 61.11 N ATOM 1579 CA ASN A 113 4.392 2.338 13.249 1.00 25.45 C ATOM 1580 C ASN A 113 2.954 2.811 13.026 1.00 23.22 C ATOM 1581 O ASN A 113 2.485 2.902 11.892 1.00 1.33 O ATOM 1582 CB ASN A 113 5.439 3.110 12.422 1.00 14.20 C ATOM 1583 CG ASN A 113 6.002 4.330 13.132 1.00 62.01 C ATOM 1584 OD1 ASN A 113 5.375 4.901 14.014 1.00 2.14 O ATOM 1585 ND2 ASN A 113 7.211 4.734 12.787 1.00 33.52 N ATOM 0 H ASN A 113 4.172 0.650 12.036 1.00 61.11 H new ATOM 0 HA ASN A 113 4.593 2.534 14.302 1.00 25.45 H new ATOM 0 HB2 ASN A 113 6.259 2.437 12.171 1.00 14.20 H new ATOM 0 HB3 ASN A 113 4.986 3.425 11.482 1.00 14.20 H new ATOM 0 HD21 ASN A 113 7.635 5.533 13.258 1.00 33.52 H new ATOM 0 HD22 ASN A 113 7.720 4.247 12.050 1.00 33.52 H new ATOM 1592 N GLN A 114 2.246 3.119 14.111 1.00 55.53 N ATOM 1593 CA GLN A 114 0.861 3.590 14.138 1.00 23.52 C ATOM 1594 C GLN A 114 0.551 4.707 13.116 1.00 44.42 C ATOM 1595 O GLN A 114 -0.356 4.492 12.304 1.00 63.30 O ATOM 1596 CB GLN A 114 0.526 3.975 15.596 1.00 51.04 C ATOM 1597 CG GLN A 114 -0.661 4.927 15.811 1.00 2.24 C ATOM 1598 CD GLN A 114 -1.984 4.427 15.253 1.00 54.15 C ATOM 1599 OE1 GLN A 114 -2.284 3.241 15.291 1.00 23.41 O ATOM 1600 NE2 GLN A 114 -2.834 5.319 14.778 1.00 45.25 N ATOM 0 H GLN A 114 2.645 3.043 15.047 1.00 55.53 H new ATOM 0 HA GLN A 114 0.205 2.784 13.810 1.00 23.52 H new ATOM 0 HB2 GLN A 114 0.330 3.058 16.152 1.00 51.04 H new ATOM 0 HB3 GLN A 114 1.411 4.432 16.038 1.00 51.04 H new ATOM 0 HG2 GLN A 114 -0.777 5.106 16.880 1.00 2.24 H new ATOM 0 HG3 GLN A 114 -0.427 5.887 15.351 1.00 2.24 H new ATOM 0 HE21 GLN A 114 -2.576 6.305 14.750 1.00 45.25 H new ATOM 0 HE22 GLN A 114 -3.749 5.022 14.439 1.00 45.25 H new ATOM 1609 N PRO A 115 1.245 5.865 13.102 1.00 71.21 N ATOM 1610 CA PRO A 115 0.962 6.948 12.165 1.00 54.42 C ATOM 1611 C PRO A 115 1.243 6.573 10.703 1.00 14.35 C ATOM 1612 O PRO A 115 0.546 7.048 9.801 1.00 62.13 O ATOM 1613 CB PRO A 115 1.791 8.145 12.638 1.00 61.42 C ATOM 1614 CG PRO A 115 2.951 7.504 13.385 1.00 21.42 C ATOM 1615 CD PRO A 115 2.329 6.251 13.987 1.00 65.04 C ATOM 0 HA PRO A 115 -0.102 7.185 12.167 1.00 54.42 H new ATOM 0 HB2 PRO A 115 2.139 8.748 11.799 1.00 61.42 H new ATOM 0 HB3 PRO A 115 1.212 8.803 13.286 1.00 61.42 H new ATOM 0 HG2 PRO A 115 3.776 7.262 12.715 1.00 21.42 H new ATOM 0 HG3 PRO A 115 3.349 8.165 14.155 1.00 21.42 H new ATOM 0 HD2 PRO A 115 3.066 5.452 14.069 1.00 65.04 H new ATOM 0 HD3 PRO A 115 1.958 6.447 14.993 1.00 65.04 H new ATOM 1623 N PHE A 116 2.230 5.706 10.461 1.00 1.23 N ATOM 1624 CA PHE A 116 2.592 5.256 9.122 1.00 53.22 C ATOM 1625 C PHE A 116 1.416 4.491 8.511 1.00 63.43 C ATOM 1626 O PHE A 116 1.113 4.651 7.335 1.00 2.12 O ATOM 1627 CB PHE A 116 3.853 4.389 9.222 1.00 34.55 C ATOM 1628 CG PHE A 116 4.459 3.864 7.938 1.00 54.33 C ATOM 1629 CD1 PHE A 116 4.231 2.533 7.538 1.00 43.13 C ATOM 1630 CD2 PHE A 116 5.332 4.675 7.193 1.00 71.22 C ATOM 1631 CE1 PHE A 116 4.881 2.019 6.402 1.00 20.35 C ATOM 1632 CE2 PHE A 116 5.990 4.157 6.063 1.00 3.13 C ATOM 1633 CZ PHE A 116 5.775 2.823 5.674 1.00 11.45 C ATOM 0 H PHE A 116 2.803 5.295 11.198 1.00 1.23 H new ATOM 0 HA PHE A 116 2.809 6.101 8.469 1.00 53.22 H new ATOM 0 HB2 PHE A 116 4.617 4.970 9.739 1.00 34.55 H new ATOM 0 HB3 PHE A 116 3.620 3.533 9.856 1.00 34.55 H new ATOM 0 HD1 PHE A 116 3.557 1.907 8.104 1.00 43.13 H new ATOM 0 HD2 PHE A 116 5.498 5.700 7.489 1.00 71.22 H new ATOM 0 HE1 PHE A 116 4.693 1.003 6.088 1.00 20.35 H new ATOM 0 HE2 PHE A 116 6.660 4.784 5.494 1.00 3.13 H new ATOM 0 HZ PHE A 116 6.295 2.418 4.819 1.00 11.45 H new ATOM 1643 N ILE A 117 0.756 3.638 9.294 1.00 21.23 N ATOM 1644 CA ILE A 117 -0.398 2.864 8.846 1.00 75.35 C ATOM 1645 C ILE A 117 -1.636 3.765 8.772 1.00 4.44 C ATOM 1646 O ILE A 117 -2.414 3.681 7.821 1.00 12.24 O ATOM 1647 CB ILE A 117 -0.586 1.667 9.797 1.00 55.12 C ATOM 1648 CG1 ILE A 117 0.580 0.684 9.575 1.00 40.03 C ATOM 1649 CG2 ILE A 117 -1.923 0.939 9.573 1.00 63.05 C ATOM 1650 CD1 ILE A 117 0.863 -0.164 10.805 1.00 53.14 C ATOM 0 H ILE A 117 1.011 3.464 10.266 1.00 21.23 H new ATOM 0 HA ILE A 117 -0.238 2.473 7.841 1.00 75.35 H new ATOM 0 HB ILE A 117 -0.597 2.043 10.820 1.00 55.12 H new ATOM 0 HG12 ILE A 117 0.347 0.032 8.733 1.00 40.03 H new ATOM 0 HG13 ILE A 117 1.477 1.242 9.307 1.00 40.03 H new ATOM 0 HG21 ILE A 117 -2.004 0.104 10.269 1.00 63.05 H new ATOM 0 HG22 ILE A 117 -2.747 1.632 9.740 1.00 63.05 H new ATOM 0 HG23 ILE A 117 -1.966 0.564 8.550 1.00 63.05 H new ATOM 0 HD11 ILE A 117 1.693 -0.840 10.598 1.00 53.14 H new ATOM 0 HD12 ILE A 117 1.123 0.484 11.642 1.00 53.14 H new ATOM 0 HD13 ILE A 117 -0.024 -0.745 11.058 1.00 53.14 H new ATOM 1662 N ASN A 118 -1.799 4.650 9.758 1.00 22.32 N ATOM 1663 CA ASN A 118 -2.918 5.575 9.871 1.00 34.10 C ATOM 1664 C ASN A 118 -3.084 6.405 8.605 1.00 10.25 C ATOM 1665 O ASN A 118 -4.178 6.459 8.044 1.00 24.32 O ATOM 1666 CB ASN A 118 -2.689 6.483 11.085 1.00 63.24 C ATOM 1667 CG ASN A 118 -3.648 7.659 11.140 1.00 31.35 C ATOM 1668 OD1 ASN A 118 -4.858 7.489 11.045 1.00 1.41 O ATOM 1669 ND2 ASN A 118 -3.137 8.863 11.306 1.00 15.12 N ATOM 0 H ASN A 118 -1.131 4.742 10.523 1.00 22.32 H new ATOM 0 HA ASN A 118 -3.837 5.004 10.004 1.00 34.10 H new ATOM 0 HB2 ASN A 118 -2.793 5.894 11.996 1.00 63.24 H new ATOM 0 HB3 ASN A 118 -1.666 6.857 11.063 1.00 63.24 H new ATOM 0 HD21 ASN A 118 -3.752 9.675 11.358 1.00 15.12 H new ATOM 0 HD22 ASN A 118 -2.127 8.982 11.383 1.00 15.12 H new ATOM 1676 N GLU A 119 -2.004 7.016 8.122 1.00 22.20 N ATOM 1677 CA GLU A 119 -2.062 7.846 6.928 1.00 63.32 C ATOM 1678 C GLU A 119 -2.471 7.070 5.672 1.00 22.51 C ATOM 1679 O GLU A 119 -3.115 7.642 4.792 1.00 10.14 O ATOM 1680 CB GLU A 119 -0.735 8.583 6.762 1.00 3.43 C ATOM 1681 CG GLU A 119 0.374 7.768 6.087 1.00 61.52 C ATOM 1682 CD GLU A 119 1.764 8.353 6.376 1.00 14.55 C ATOM 1683 OE1 GLU A 119 1.858 9.558 6.717 1.00 70.44 O ATOM 1684 OE2 GLU A 119 2.785 7.630 6.294 1.00 73.55 O ATOM 0 H GLU A 119 -1.077 6.949 8.543 1.00 22.20 H new ATOM 0 HA GLU A 119 -2.856 8.581 7.062 1.00 63.32 H new ATOM 0 HB2 GLU A 119 -0.908 9.487 6.178 1.00 3.43 H new ATOM 0 HB3 GLU A 119 -0.386 8.900 7.745 1.00 3.43 H new ATOM 0 HG2 GLU A 119 0.333 6.737 6.438 1.00 61.52 H new ATOM 0 HG3 GLU A 119 0.205 7.745 5.010 1.00 61.52 H new ATOM 1691 N ILE A 120 -2.143 5.776 5.581 1.00 4.13 N ATOM 1692 CA ILE A 120 -2.502 4.961 4.426 1.00 11.35 C ATOM 1693 C ILE A 120 -4.027 4.823 4.365 1.00 61.14 C ATOM 1694 O ILE A 120 -4.582 4.767 3.266 1.00 12.30 O ATOM 1695 CB ILE A 120 -1.749 3.608 4.453 1.00 61.40 C ATOM 1696 CG1 ILE A 120 -0.219 3.791 4.322 1.00 63.21 C ATOM 1697 CG2 ILE A 120 -2.242 2.639 3.369 1.00 40.23 C ATOM 1698 CD1 ILE A 120 0.283 4.309 2.966 1.00 60.54 C ATOM 0 H ILE A 120 -1.626 5.272 6.302 1.00 4.13 H new ATOM 0 HA ILE A 120 -2.187 5.447 3.503 1.00 11.35 H new ATOM 0 HB ILE A 120 -1.969 3.173 5.428 1.00 61.40 H new ATOM 0 HG12 ILE A 120 0.112 4.482 5.098 1.00 63.21 H new ATOM 0 HG13 ILE A 120 0.260 2.833 4.523 1.00 63.21 H new ATOM 0 HG21 ILE A 120 -1.681 1.706 3.432 1.00 40.23 H new ATOM 0 HG22 ILE A 120 -3.302 2.436 3.518 1.00 40.23 H new ATOM 0 HG23 ILE A 120 -2.093 3.086 2.386 1.00 40.23 H new ATOM 0 HD11 ILE A 120 1.369 4.398 2.990 1.00 60.54 H new ATOM 0 HD12 ILE A 120 -0.007 3.611 2.180 1.00 60.54 H new ATOM 0 HD13 ILE A 120 -0.157 5.286 2.764 1.00 60.54 H new ATOM 1710 N THR A 121 -4.713 4.793 5.513 1.00 41.03 N ATOM 1711 CA THR A 121 -6.173 4.675 5.519 1.00 54.24 C ATOM 1712 C THR A 121 -6.824 5.939 4.936 1.00 63.52 C ATOM 1713 O THR A 121 -7.802 5.856 4.187 1.00 15.25 O ATOM 1714 CB THR A 121 -6.721 4.359 6.924 1.00 20.10 C ATOM 1715 OG1 THR A 121 -6.594 5.444 7.821 1.00 31.13 O ATOM 1716 CG2 THR A 121 -6.055 3.145 7.574 1.00 32.21 C ATOM 0 H THR A 121 -4.286 4.848 6.438 1.00 41.03 H new ATOM 0 HA THR A 121 -6.436 3.832 4.881 1.00 54.24 H new ATOM 0 HB THR A 121 -7.775 4.145 6.747 1.00 20.10 H new ATOM 0 HG1 THR A 121 -5.674 5.780 7.799 1.00 31.13 H new ATOM 0 HG21 THR A 121 -6.487 2.978 8.561 1.00 32.21 H new ATOM 0 HG22 THR A 121 -6.218 2.264 6.953 1.00 32.21 H new ATOM 0 HG23 THR A 121 -4.985 3.326 7.673 1.00 32.21 H new ATOM 1724 N GLN A 122 -6.245 7.109 5.241 1.00 70.50 N ATOM 1725 CA GLN A 122 -6.740 8.398 4.783 1.00 71.01 C ATOM 1726 C GLN A 122 -6.800 8.462 3.259 1.00 2.14 C ATOM 1727 O GLN A 122 -7.708 9.090 2.721 1.00 10.13 O ATOM 1728 CB GLN A 122 -5.883 9.546 5.338 1.00 3.14 C ATOM 1729 CG GLN A 122 -5.903 9.608 6.873 1.00 13.32 C ATOM 1730 CD GLN A 122 -5.125 10.809 7.414 1.00 34.43 C ATOM 1731 OE1 GLN A 122 -3.910 10.902 7.257 1.00 55.34 O ATOM 1732 NE2 GLN A 122 -5.794 11.739 8.081 1.00 31.11 N ATOM 0 H GLN A 122 -5.409 7.179 5.821 1.00 70.50 H new ATOM 0 HA GLN A 122 -7.755 8.513 5.164 1.00 71.01 H new ATOM 0 HB2 GLN A 122 -4.855 9.425 4.996 1.00 3.14 H new ATOM 0 HB3 GLN A 122 -6.244 10.492 4.935 1.00 3.14 H new ATOM 0 HG2 GLN A 122 -6.935 9.660 7.219 1.00 13.32 H new ATOM 0 HG3 GLN A 122 -5.477 8.690 7.277 1.00 13.32 H new ATOM 0 HE21 GLN A 122 -6.803 11.651 8.205 1.00 31.11 H new ATOM 0 HE22 GLN A 122 -5.300 12.542 8.470 1.00 31.11 H new ATOM 1741 N LEU A 123 -5.857 7.811 2.575 1.00 44.53 N ATOM 1742 CA LEU A 123 -5.780 7.773 1.121 1.00 73.23 C ATOM 1743 C LEU A 123 -7.024 7.097 0.553 1.00 73.55 C ATOM 1744 O LEU A 123 -7.717 7.708 -0.259 1.00 15.02 O ATOM 1745 CB LEU A 123 -4.507 7.049 0.672 1.00 3.45 C ATOM 1746 CG LEU A 123 -3.197 7.685 1.164 1.00 73.41 C ATOM 1747 CD1 LEU A 123 -2.028 6.754 0.850 1.00 35.04 C ATOM 1748 CD2 LEU A 123 -2.958 9.064 0.544 1.00 23.51 C ATOM 0 H LEU A 123 -5.111 7.285 3.031 1.00 44.53 H new ATOM 0 HA LEU A 123 -5.737 8.793 0.739 1.00 73.23 H new ATOM 0 HB2 LEU A 123 -4.549 6.018 1.024 1.00 3.45 H new ATOM 0 HB3 LEU A 123 -4.491 7.014 -0.417 1.00 3.45 H new ATOM 0 HG LEU A 123 -3.277 7.827 2.242 1.00 73.41 H new ATOM 0 HD11 LEU A 123 -1.099 7.206 1.199 1.00 35.04 H new ATOM 0 HD12 LEU A 123 -2.178 5.799 1.353 1.00 35.04 H new ATOM 0 HD13 LEU A 123 -1.971 6.592 -0.226 1.00 35.04 H new ATOM 0 HD21 LEU A 123 -2.021 9.475 0.921 1.00 23.51 H new ATOM 0 HD22 LEU A 123 -2.903 8.971 -0.541 1.00 23.51 H new ATOM 0 HD23 LEU A 123 -3.779 9.730 0.810 1.00 23.51 H new ATOM 1760 N VAL A 124 -7.350 5.877 1.006 1.00 1.13 N ATOM 1761 CA VAL A 124 -8.531 5.163 0.529 1.00 64.24 C ATOM 1762 C VAL A 124 -9.768 6.029 0.784 1.00 44.01 C ATOM 1763 O VAL A 124 -10.655 6.114 -0.066 1.00 21.14 O ATOM 1764 CB VAL A 124 -8.667 3.778 1.191 1.00 44.34 C ATOM 1765 CG1 VAL A 124 -9.655 2.930 0.384 1.00 53.13 C ATOM 1766 CG2 VAL A 124 -7.361 2.999 1.268 1.00 4.35 C ATOM 0 H VAL A 124 -6.807 5.368 1.704 1.00 1.13 H new ATOM 0 HA VAL A 124 -8.430 4.982 -0.541 1.00 64.24 H new ATOM 0 HB VAL A 124 -9.006 3.965 2.210 1.00 44.34 H new ATOM 0 HG11 VAL A 124 -9.755 1.949 0.848 1.00 53.13 H new ATOM 0 HG12 VAL A 124 -10.627 3.423 0.365 1.00 53.13 H new ATOM 0 HG13 VAL A 124 -9.287 2.814 -0.635 1.00 53.13 H new ATOM 0 HG21 VAL A 124 -7.539 2.036 1.746 1.00 4.35 H new ATOM 0 HG22 VAL A 124 -6.973 2.838 0.262 1.00 4.35 H new ATOM 0 HG23 VAL A 124 -6.634 3.564 1.851 1.00 4.35 H new ATOM 1776 N SER A 125 -9.836 6.681 1.946 1.00 32.42 N ATOM 1777 CA SER A 125 -10.934 7.567 2.312 1.00 14.51 C ATOM 1778 C SER A 125 -11.084 8.664 1.257 1.00 12.44 C ATOM 1779 O SER A 125 -12.175 8.848 0.720 1.00 35.33 O ATOM 1780 CB SER A 125 -10.676 8.191 3.694 1.00 75.33 C ATOM 1781 OG SER A 125 -11.570 7.686 4.666 1.00 40.24 O ATOM 0 H SER A 125 -9.118 6.605 2.667 1.00 32.42 H new ATOM 0 HA SER A 125 -11.857 6.989 2.360 1.00 14.51 H new ATOM 0 HB2 SER A 125 -9.650 7.987 4.001 1.00 75.33 H new ATOM 0 HB3 SER A 125 -10.780 9.274 3.630 1.00 75.33 H new ATOM 0 HG SER A 125 -11.379 8.101 5.533 1.00 40.24 H new ATOM 1787 N MET A 126 -9.989 9.356 0.946 1.00 31.54 N ATOM 1788 CA MET A 126 -9.918 10.440 -0.016 1.00 40.21 C ATOM 1789 C MET A 126 -10.309 9.980 -1.426 1.00 3.13 C ATOM 1790 O MET A 126 -10.997 10.718 -2.133 1.00 41.12 O ATOM 1791 CB MET A 126 -8.482 10.996 0.026 1.00 63.23 C ATOM 1792 CG MET A 126 -8.327 12.403 -0.553 1.00 51.14 C ATOM 1793 SD MET A 126 -6.613 13.010 -0.565 1.00 22.12 S ATOM 1794 CE MET A 126 -5.875 11.900 -1.802 1.00 12.00 C ATOM 0 H MET A 126 -9.088 9.162 1.382 1.00 31.54 H new ATOM 0 HA MET A 126 -10.633 11.220 0.245 1.00 40.21 H new ATOM 0 HB2 MET A 126 -8.139 11.003 1.061 1.00 63.23 H new ATOM 0 HB3 MET A 126 -7.828 10.318 -0.522 1.00 63.23 H new ATOM 0 HG2 MET A 126 -8.712 12.410 -1.573 1.00 51.14 H new ATOM 0 HG3 MET A 126 -8.942 13.093 0.025 1.00 51.14 H new ATOM 0 HE1 MET A 126 -4.913 12.301 -2.123 1.00 12.00 H new ATOM 0 HE2 MET A 126 -5.729 10.913 -1.364 1.00 12.00 H new ATOM 0 HE3 MET A 126 -6.540 11.820 -2.662 1.00 12.00 H new ATOM 1804 N PHE A 127 -9.898 8.781 -1.852 1.00 2.32 N ATOM 1805 CA PHE A 127 -10.204 8.266 -3.187 1.00 22.34 C ATOM 1806 C PHE A 127 -11.635 7.782 -3.322 1.00 10.13 C ATOM 1807 O PHE A 127 -12.225 7.926 -4.393 1.00 65.01 O ATOM 1808 CB PHE A 127 -9.232 7.150 -3.565 1.00 10.13 C ATOM 1809 CG PHE A 127 -8.044 7.690 -4.317 1.00 40.44 C ATOM 1810 CD1 PHE A 127 -7.169 8.600 -3.695 1.00 30.05 C ATOM 1811 CD2 PHE A 127 -7.872 7.358 -5.674 1.00 12.44 C ATOM 1812 CE1 PHE A 127 -6.125 9.174 -4.430 1.00 2.52 C ATOM 1813 CE2 PHE A 127 -6.840 7.950 -6.412 1.00 53.44 C ATOM 1814 CZ PHE A 127 -5.969 8.852 -5.786 1.00 55.32 C ATOM 0 H PHE A 127 -9.345 8.142 -1.281 1.00 2.32 H new ATOM 0 HA PHE A 127 -10.087 9.102 -3.877 1.00 22.34 H new ATOM 0 HB2 PHE A 127 -8.893 6.639 -2.664 1.00 10.13 H new ATOM 0 HB3 PHE A 127 -9.746 6.409 -4.177 1.00 10.13 H new ATOM 0 HD1 PHE A 127 -7.303 8.855 -2.654 1.00 30.05 H new ATOM 0 HD2 PHE A 127 -8.535 6.648 -6.145 1.00 12.44 H new ATOM 0 HE1 PHE A 127 -5.442 9.862 -3.954 1.00 2.52 H new ATOM 0 HE2 PHE A 127 -6.716 7.713 -7.458 1.00 53.44 H new ATOM 0 HZ PHE A 127 -5.169 9.304 -6.354 1.00 55.32 H new ATOM 1824 N ALA A 128 -12.210 7.239 -2.249 1.00 30.53 N ATOM 1825 CA ALA A 128 -13.583 6.761 -2.276 1.00 31.21 C ATOM 1826 C ALA A 128 -14.557 7.912 -2.504 1.00 43.13 C ATOM 1827 O ALA A 128 -15.717 7.678 -2.840 1.00 20.01 O ATOM 1828 CB ALA A 128 -13.896 6.019 -0.984 1.00 23.24 C ATOM 0 H ALA A 128 -11.741 7.121 -1.351 1.00 30.53 H new ATOM 0 HA ALA A 128 -13.699 6.069 -3.110 1.00 31.21 H new ATOM 0 HB1 ALA A 128 -14.926 5.663 -1.009 1.00 23.24 H new ATOM 0 HB2 ALA A 128 -13.221 5.170 -0.879 1.00 23.24 H new ATOM 0 HB3 ALA A 128 -13.766 6.692 -0.137 1.00 23.24 H new ATOM 1834 N GLN A 129 -14.120 9.152 -2.265 1.00 30.44 N ATOM 1835 CA GLN A 129 -14.965 10.302 -2.493 1.00 42.24 C ATOM 1836 C GLN A 129 -14.915 10.555 -4.005 1.00 1.12 C ATOM 1837 O GLN A 129 -15.926 10.415 -4.699 1.00 12.14 O ATOM 1838 CB GLN A 129 -14.509 11.522 -1.671 1.00 22.12 C ATOM 1839 CG GLN A 129 -14.480 11.325 -0.148 1.00 45.34 C ATOM 1840 CD GLN A 129 -15.770 10.806 0.495 1.00 61.23 C ATOM 1841 OE1 GLN A 129 -16.854 10.799 -0.089 1.00 75.33 O ATOM 1842 NE2 GLN A 129 -15.682 10.373 1.741 1.00 2.02 N ATOM 0 H GLN A 129 -13.188 9.373 -1.915 1.00 30.44 H new ATOM 0 HA GLN A 129 -15.988 10.121 -2.163 1.00 42.24 H new ATOM 0 HB2 GLN A 129 -13.510 11.807 -2.001 1.00 22.12 H new ATOM 0 HB3 GLN A 129 -15.170 12.358 -1.898 1.00 22.12 H new ATOM 0 HG2 GLN A 129 -13.675 10.630 0.092 1.00 45.34 H new ATOM 0 HG3 GLN A 129 -14.227 12.279 0.315 1.00 45.34 H new ATOM 0 HE21 GLN A 129 -14.782 10.380 2.221 1.00 2.02 H new ATOM 0 HE22 GLN A 129 -16.514 10.031 2.222 1.00 2.02 H new