USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 705 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 6 GLN : amide:sc= -7.53! C(o=-7.1!,f=-10!) USER MOD Set 1.2: A 106 THR OG1 : rot 88:sc= 0.438 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.0437 USER MOD Set 2.2: A 77 THR OG1 : rot -33:sc= 0.214 USER MOD Set 3.1: A 53 ASN : amide:sc= -8.9! C(o=-23!,f=-12!) USER MOD Set 3.2: A 54 GLN : amide:sc= -13.8! C(o=-23!,f=-11!) USER MOD Set 4.1: A 37 TYR OH : rot -113:sc= 0.407 USER MOD Set 4.2: A 47 THR OG1 : rot -60:sc= -0.26 USER MOD Set 5.1: A 28 SER OG : rot 37:sc= 0.684 USER MOD Set 5.2: A 32 ASN : amide:sc= -0.0395 X(o=0.64,f=0.62) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.45! C(o=-1.4!,f=-11!) USER MOD Single : A 9 SER OG : rot -33:sc= 0.224 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0861) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 25 SER OG : rot -120:sc= -0.964 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -14.5! C(o=-15!,f=-15!) USER MOD Single : A 38 GLN : amide:sc= -4.56! C(o=-4.6!,f=-6.5!) USER MOD Single : A 39 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.5!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -36:sc= 0.247 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.626 USER MOD Single : A 72 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.8!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc=-0.00306 USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= -0.0839 (180deg=-0.486) USER MOD Single : A 83 THR OG1 : rot 13:sc= 0.289! USER MOD Single : A 89 TYR OH : rot -11:sc= 0.466 USER MOD Single : A 90 TYR OH : rot 180:sc= -1.66 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 93 SER OG : rot 130:sc= -0.402 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.065) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 82.618 14.132 8.938 1.00 0.00 N ATOM 38 CA MET A 3 83.685 13.310 8.377 1.00 0.00 C ATOM 39 C MET A 3 83.218 11.865 8.236 1.00 0.00 C ATOM 40 O MET A 3 82.143 11.511 8.719 1.00 0.00 O ATOM 41 CB MET A 3 84.927 13.383 9.272 1.00 0.00 C ATOM 42 CG MET A 3 86.199 13.158 8.450 1.00 0.00 C ATOM 43 SD MET A 3 87.647 13.321 9.522 1.00 0.00 S ATOM 44 CE MET A 3 88.779 13.988 8.277 1.00 0.00 C ATOM 0 HA MET A 3 83.941 13.690 7.388 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.972 14.356 9.762 1.00 0.00 H new ATOM 0 HB3 MET A 3 84.859 12.632 10.059 1.00 0.00 H new ATOM 0 HG2 MET A 3 86.180 12.168 7.995 1.00 0.00 H new ATOM 0 HG3 MET A 3 86.252 13.882 7.637 1.00 0.00 H new ATOM 0 HE1 MET A 3 89.754 14.167 8.730 1.00 0.00 H new ATOM 0 HE2 MET A 3 88.884 13.273 7.461 1.00 0.00 H new ATOM 0 HE3 MET A 3 88.381 14.926 7.889 1.00 0.00 H new ATOM 54 N LEU A 4 84.008 11.040 7.553 1.00 0.00 N ATOM 55 CA LEU A 4 83.654 9.644 7.326 1.00 0.00 C ATOM 56 C LEU A 4 84.823 8.750 7.724 1.00 0.00 C ATOM 57 O LEU A 4 85.833 8.679 7.024 1.00 0.00 O ATOM 58 CB LEU A 4 83.288 9.456 5.848 1.00 0.00 C ATOM 59 CG LEU A 4 81.771 9.309 5.651 1.00 0.00 C ATOM 60 CD1 LEU A 4 81.346 9.886 4.295 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.374 7.833 5.750 1.00 0.00 C ATOM 0 H LEU A 4 84.901 11.317 7.146 1.00 0.00 H new ATOM 0 HA LEU A 4 82.794 9.367 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 4 83.648 10.309 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.793 8.572 5.458 1.00 0.00 H new ATOM 0 HG LEU A 4 81.260 9.867 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 4 80.269 9.773 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 4 81.607 10.943 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 4 81.860 9.352 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.297 7.736 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 4 81.894 7.264 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 4 81.648 7.448 6.732 1.00 0.00 H new ATOM 73 N THR A 5 84.702 8.121 8.888 1.00 0.00 N ATOM 74 CA THR A 5 85.786 7.300 9.406 1.00 0.00 C ATOM 75 C THR A 5 85.723 5.907 8.787 1.00 0.00 C ATOM 76 O THR A 5 84.734 5.192 8.951 1.00 0.00 O ATOM 77 CB THR A 5 85.663 7.194 10.929 1.00 0.00 C ATOM 78 OG1 THR A 5 85.199 8.432 11.446 1.00 0.00 O ATOM 79 CG2 THR A 5 87.025 6.867 11.546 1.00 0.00 C ATOM 0 H THR A 5 83.875 8.164 9.483 1.00 0.00 H new ATOM 0 HA THR A 5 86.740 7.760 9.150 1.00 0.00 H new ATOM 0 HB THR A 5 84.960 6.399 11.177 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.117 8.369 12.421 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.926 6.794 12.629 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.385 5.918 11.150 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.735 7.656 11.299 1.00 0.00 H new ATOM 87 N GLN A 6 86.782 5.519 8.082 1.00 0.00 N ATOM 88 CA GLN A 6 86.859 4.187 7.492 1.00 0.00 C ATOM 89 C GLN A 6 88.302 3.690 7.533 1.00 0.00 C ATOM 90 O GLN A 6 89.210 4.470 7.245 1.00 0.00 O ATOM 91 CB GLN A 6 86.370 4.243 6.042 1.00 0.00 C ATOM 92 CG GLN A 6 86.125 2.827 5.516 1.00 0.00 C ATOM 93 CD GLN A 6 85.651 2.859 4.068 1.00 0.00 C ATOM 94 OE1 GLN A 6 86.409 3.230 3.172 1.00 0.00 O ATOM 95 NE2 GLN A 6 84.392 2.639 3.804 1.00 0.00 N ATOM 0 H GLN A 6 87.597 6.107 7.906 1.00 0.00 H new ATOM 0 HA GLN A 6 86.229 3.501 8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 6 85.451 4.826 5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 6 87.109 4.748 5.420 1.00 0.00 H new ATOM 0 HG2 GLN A 6 87.043 2.244 5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 6 85.380 2.328 6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.762 2.331 4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 6 84.038 2.775 2.857 1.00 0.00 H new ATOM 104 N PRO A 7 88.557 2.419 7.716 1.00 0.00 N ATOM 105 CA PRO A 7 89.961 1.928 7.805 1.00 0.00 C ATOM 106 C PRO A 7 90.803 2.449 6.643 1.00 0.00 C ATOM 107 O PRO A 7 90.355 2.453 5.496 1.00 0.00 O ATOM 108 CB PRO A 7 89.832 0.398 7.771 1.00 0.00 C ATOM 109 CG PRO A 7 88.368 0.089 7.791 1.00 0.00 C ATOM 110 CD PRO A 7 87.645 1.372 8.204 1.00 0.00 C ATOM 0 HA PRO A 7 90.468 2.276 8.705 1.00 0.00 H new ATOM 0 HB2 PRO A 7 90.301 -0.010 6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 7 90.334 -0.052 8.628 1.00 0.00 H new ATOM 0 HG2 PRO A 7 88.031 -0.245 6.810 1.00 0.00 H new ATOM 0 HG3 PRO A 7 88.154 -0.717 8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 7 86.658 1.447 7.747 1.00 0.00 H new ATOM 0 HD3 PRO A 7 87.502 1.428 9.283 1.00 0.00 H new ATOM 118 N HIS A 8 92.020 2.889 6.944 1.00 0.00 N ATOM 119 CA HIS A 8 92.900 3.421 5.909 1.00 0.00 C ATOM 120 C HIS A 8 93.225 2.345 4.878 1.00 0.00 C ATOM 121 O HIS A 8 93.338 2.633 3.686 1.00 0.00 O ATOM 122 CB HIS A 8 94.192 3.950 6.535 1.00 0.00 C ATOM 123 CG HIS A 8 94.709 2.966 7.548 1.00 0.00 C ATOM 124 ND1 HIS A 8 94.056 1.777 7.828 1.00 0.00 N ATOM 125 CD2 HIS A 8 95.821 2.982 8.355 1.00 0.00 C ATOM 126 CE1 HIS A 8 94.775 1.128 8.759 1.00 0.00 C ATOM 127 NE2 HIS A 8 95.863 1.815 9.115 1.00 0.00 N ATOM 0 H HIS A 8 92.416 2.889 7.884 1.00 0.00 H new ATOM 0 HA HIS A 8 92.386 4.241 5.408 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.941 4.115 5.760 1.00 0.00 H new ATOM 0 HB3 HIS A 8 94.008 4.913 7.011 1.00 0.00 H new ATOM 0 HD2 HIS A 8 96.551 3.777 8.394 1.00 0.00 H new ATOM 0 HE1 HIS A 8 94.505 0.166 9.170 1.00 0.00 H new ATOM 0 HE2 HIS A 8 96.572 1.544 9.796 1.00 0.00 H new ATOM 135 N SER A 9 93.439 1.121 5.347 1.00 0.00 N ATOM 136 CA SER A 9 93.794 0.021 4.457 1.00 0.00 C ATOM 137 C SER A 9 93.425 -1.320 5.084 1.00 0.00 C ATOM 138 O SER A 9 93.228 -1.417 6.295 1.00 0.00 O ATOM 139 CB SER A 9 95.296 0.055 4.168 1.00 0.00 C ATOM 140 OG SER A 9 95.690 1.385 3.868 1.00 0.00 O ATOM 0 H SER A 9 93.374 0.866 6.332 1.00 0.00 H new ATOM 0 HA SER A 9 93.239 0.136 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.851 -0.315 5.030 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.531 -0.603 3.331 1.00 0.00 H new ATOM 0 HG SER A 9 94.958 1.848 3.410 1.00 0.00 H new ATOM 146 N VAL A 10 93.312 -2.346 4.247 1.00 0.00 N ATOM 147 CA VAL A 10 92.945 -3.674 4.725 1.00 0.00 C ATOM 148 C VAL A 10 93.227 -4.712 3.643 1.00 0.00 C ATOM 149 O VAL A 10 93.076 -4.437 2.452 1.00 0.00 O ATOM 150 CB VAL A 10 91.467 -3.668 5.132 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.599 -3.250 3.941 1.00 0.00 C ATOM 152 CG2 VAL A 10 91.016 -5.043 5.638 1.00 0.00 C ATOM 0 H VAL A 10 93.468 -2.285 3.241 1.00 0.00 H new ATOM 0 HA VAL A 10 93.542 -3.939 5.598 1.00 0.00 H new ATOM 0 HB VAL A 10 91.349 -2.952 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.550 -3.248 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.886 -2.250 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.743 -3.954 3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 10 89.963 -5.001 5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 10 91.153 -5.784 4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 10 91.611 -5.324 6.507 1.00 0.00 H new ATOM 162 N SER A 11 93.610 -5.915 4.062 1.00 0.00 N ATOM 163 CA SER A 11 93.889 -7.002 3.128 1.00 0.00 C ATOM 164 C SER A 11 93.378 -8.329 3.681 1.00 0.00 C ATOM 165 O SER A 11 93.483 -8.591 4.879 1.00 0.00 O ATOM 166 CB SER A 11 95.398 -7.087 2.892 1.00 0.00 C ATOM 167 OG SER A 11 96.050 -7.412 4.111 1.00 0.00 O ATOM 0 H SER A 11 93.734 -6.162 5.044 1.00 0.00 H new ATOM 0 HA SER A 11 93.378 -6.801 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.617 -7.842 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 11 95.771 -6.137 2.510 1.00 0.00 H new ATOM 0 HG SER A 11 97.017 -7.468 3.960 1.00 0.00 H new ATOM 173 N GLU A 12 92.915 -9.203 2.791 1.00 0.00 N ATOM 174 CA GLU A 12 92.387 -10.502 3.200 1.00 0.00 C ATOM 175 C GLU A 12 92.766 -11.579 2.188 1.00 0.00 C ATOM 176 O GLU A 12 93.101 -11.274 1.043 1.00 0.00 O ATOM 177 CB GLU A 12 90.862 -10.423 3.318 1.00 0.00 C ATOM 178 CG GLU A 12 90.345 -11.567 4.194 1.00 0.00 C ATOM 179 CD GLU A 12 90.717 -11.309 5.650 1.00 0.00 C ATOM 180 OE1 GLU A 12 90.294 -10.294 6.177 1.00 0.00 O ATOM 181 OE2 GLU A 12 91.459 -12.105 6.201 1.00 0.00 O ATOM 0 H GLU A 12 92.895 -9.036 1.785 1.00 0.00 H new ATOM 0 HA GLU A 12 92.817 -10.764 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.571 -9.465 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.409 -10.479 2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 12 89.263 -11.653 4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.772 -12.513 3.862 1.00 0.00 H new ATOM 188 N SER A 13 92.833 -12.823 2.651 1.00 0.00 N ATOM 189 CA SER A 13 93.236 -13.930 1.791 1.00 0.00 C ATOM 190 C SER A 13 92.081 -14.357 0.886 1.00 0.00 C ATOM 191 O SER A 13 90.949 -14.471 1.359 1.00 0.00 O ATOM 192 CB SER A 13 93.687 -15.114 2.648 1.00 0.00 C ATOM 193 OG SER A 13 94.521 -14.641 3.696 1.00 0.00 O ATOM 0 H SER A 13 92.615 -13.089 3.611 1.00 0.00 H new ATOM 0 HA SER A 13 94.064 -13.599 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.820 -15.630 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 13 94.226 -15.837 2.036 1.00 0.00 H new ATOM 0 HG SER A 13 94.811 -15.396 4.249 1.00 0.00 H new ATOM 199 N PRO A 14 92.325 -14.689 -0.357 1.00 0.00 N ATOM 200 CA PRO A 14 91.244 -15.158 -1.270 1.00 0.00 C ATOM 201 C PRO A 14 90.531 -16.379 -0.693 1.00 0.00 C ATOM 202 O PRO A 14 91.136 -17.441 -0.547 1.00 0.00 O ATOM 203 CB PRO A 14 91.940 -15.490 -2.598 1.00 0.00 C ATOM 204 CG PRO A 14 93.394 -15.166 -2.446 1.00 0.00 C ATOM 205 CD PRO A 14 93.628 -14.608 -1.038 1.00 0.00 C ATOM 0 HA PRO A 14 90.474 -14.399 -1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.807 -16.543 -2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.503 -14.913 -3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.999 -16.059 -2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.699 -14.437 -3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 14 94.384 -15.187 -0.508 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.985 -13.579 -1.079 1.00 0.00 H new ATOM 213 N GLY A 15 89.214 -16.274 -0.547 1.00 0.00 N ATOM 214 CA GLY A 15 88.393 -17.394 -0.095 1.00 0.00 C ATOM 215 C GLY A 15 87.764 -17.097 1.262 1.00 0.00 C ATOM 216 O GLY A 15 87.030 -17.920 1.809 1.00 0.00 O ATOM 0 H GLY A 15 88.689 -15.420 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.610 -17.595 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 15 89.004 -18.294 -0.027 1.00 0.00 H new ATOM 220 N LYS A 16 88.144 -15.967 1.852 1.00 0.00 N ATOM 221 CA LYS A 16 87.591 -15.540 3.134 1.00 0.00 C ATOM 222 C LYS A 16 86.472 -14.524 2.926 1.00 0.00 C ATOM 223 O LYS A 16 86.035 -14.287 1.800 1.00 0.00 O ATOM 224 CB LYS A 16 88.711 -14.930 3.984 1.00 0.00 C ATOM 225 CG LYS A 16 89.463 -16.033 4.734 1.00 0.00 C ATOM 226 CD LYS A 16 90.641 -15.424 5.496 1.00 0.00 C ATOM 227 CE LYS A 16 91.314 -16.502 6.349 1.00 0.00 C ATOM 228 NZ LYS A 16 90.486 -16.764 7.560 1.00 0.00 N ATOM 0 H LYS A 16 88.836 -15.328 1.461 1.00 0.00 H new ATOM 0 HA LYS A 16 87.170 -16.404 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.401 -14.377 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.292 -14.217 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.791 -16.539 5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.821 -16.785 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.360 -14.999 4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 16 90.294 -14.608 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 16 91.432 -17.418 5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 16 92.313 -16.179 6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 91.031 -17.337 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 90.225 -15.861 8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 89.624 -17.277 7.287 1.00 0.00 H new ATOM 242 N THR A 17 86.006 -13.934 4.024 1.00 0.00 N ATOM 243 CA THR A 17 84.940 -12.937 3.980 1.00 0.00 C ATOM 244 C THR A 17 85.432 -11.610 4.549 1.00 0.00 C ATOM 245 O THR A 17 86.247 -11.584 5.470 1.00 0.00 O ATOM 246 CB THR A 17 83.745 -13.421 4.803 1.00 0.00 C ATOM 247 OG1 THR A 17 84.186 -13.817 6.094 1.00 0.00 O ATOM 248 CG2 THR A 17 83.083 -14.610 4.104 1.00 0.00 C ATOM 0 H THR A 17 86.354 -14.132 4.962 1.00 0.00 H new ATOM 0 HA THR A 17 84.641 -12.794 2.942 1.00 0.00 H new ATOM 0 HB THR A 17 83.023 -12.610 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 17 83.420 -14.125 6.621 1.00 0.00 H new ATOM 0 HG21 THR A 17 82.232 -14.951 4.694 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.740 -14.306 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.804 -15.421 4.004 1.00 0.00 H new ATOM 256 N VAL A 18 84.991 -10.510 3.944 1.00 0.00 N ATOM 257 CA VAL A 18 85.394 -9.174 4.374 1.00 0.00 C ATOM 258 C VAL A 18 84.172 -8.281 4.569 1.00 0.00 C ATOM 259 O VAL A 18 83.182 -8.392 3.846 1.00 0.00 O ATOM 260 CB VAL A 18 86.337 -8.559 3.336 1.00 0.00 C ATOM 261 CG1 VAL A 18 86.544 -7.070 3.628 1.00 0.00 C ATOM 262 CG2 VAL A 18 87.685 -9.280 3.392 1.00 0.00 C ATOM 0 H VAL A 18 84.351 -10.518 3.150 1.00 0.00 H new ATOM 0 HA VAL A 18 85.915 -9.255 5.328 1.00 0.00 H new ATOM 0 HB VAL A 18 85.898 -8.668 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 18 87.216 -6.643 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.584 -6.555 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 18 86.979 -6.951 4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 18 88.361 -8.846 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 18 88.115 -9.170 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.541 -10.338 3.174 1.00 0.00 H new ATOM 272 N THR A 19 84.231 -7.435 5.594 1.00 0.00 N ATOM 273 CA THR A 19 83.172 -6.471 5.876 1.00 0.00 C ATOM 274 C THR A 19 83.780 -5.079 6.030 1.00 0.00 C ATOM 275 O THR A 19 84.701 -4.878 6.821 1.00 0.00 O ATOM 276 CB THR A 19 82.452 -6.910 7.157 1.00 0.00 C ATOM 277 OG1 THR A 19 81.409 -7.812 6.816 1.00 0.00 O ATOM 278 CG2 THR A 19 81.864 -5.724 7.927 1.00 0.00 C ATOM 0 H THR A 19 85.011 -7.398 6.250 1.00 0.00 H new ATOM 0 HA THR A 19 82.452 -6.432 5.059 1.00 0.00 H new ATOM 0 HB THR A 19 83.185 -7.391 7.804 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.945 -8.098 7.630 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.364 -6.085 8.826 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.664 -5.039 8.207 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.144 -5.202 7.297 1.00 0.00 H new ATOM 286 N ILE A 20 83.151 -4.096 5.394 1.00 0.00 N ATOM 287 CA ILE A 20 83.601 -2.710 5.456 1.00 0.00 C ATOM 288 C ILE A 20 82.675 -1.896 6.353 1.00 0.00 C ATOM 289 O ILE A 20 81.502 -2.233 6.516 1.00 0.00 O ATOM 290 CB ILE A 20 83.585 -2.094 4.055 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.406 -2.941 3.073 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.121 -0.661 4.123 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.899 -2.606 3.157 1.00 0.00 C ATOM 0 H ILE A 20 82.318 -4.237 4.823 1.00 0.00 H new ATOM 0 HA ILE A 20 84.613 -2.695 5.860 1.00 0.00 H new ATOM 0 HB ILE A 20 82.559 -2.073 3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 20 84.256 -3.999 3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 20 84.050 -2.770 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.110 -0.221 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.492 -0.069 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.142 -0.672 4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.451 -3.224 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 20 86.050 -1.554 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 20 86.260 -2.802 4.167 1.00 0.00 H new ATOM 305 N SER A 21 83.248 -0.920 7.053 1.00 0.00 N ATOM 306 CA SER A 21 82.483 -0.037 7.928 1.00 0.00 C ATOM 307 C SER A 21 82.701 1.429 7.545 1.00 0.00 C ATOM 308 O SER A 21 83.794 1.948 7.766 1.00 0.00 O ATOM 309 CB SER A 21 82.921 -0.299 9.371 1.00 0.00 C ATOM 310 OG SER A 21 83.052 -1.699 9.579 1.00 0.00 O ATOM 0 H SER A 21 84.248 -0.720 7.030 1.00 0.00 H new ATOM 0 HA SER A 21 81.417 -0.240 7.824 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.869 0.200 9.571 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.190 0.116 10.065 1.00 0.00 H new ATOM 0 HG SER A 21 83.334 -1.868 10.502 1.00 0.00 H new ATOM 316 N CYS A 22 81.619 2.151 7.237 1.00 0.00 N ATOM 317 CA CYS A 22 81.663 3.584 6.920 1.00 0.00 C ATOM 318 C CYS A 22 80.811 4.280 7.987 1.00 0.00 C ATOM 319 O CYS A 22 79.692 3.844 8.259 1.00 0.00 O ATOM 320 CB CYS A 22 81.120 3.884 5.500 1.00 0.00 C ATOM 321 SG CYS A 22 82.363 4.491 4.308 1.00 0.00 S ATOM 0 H CYS A 22 80.680 1.755 7.200 1.00 0.00 H new ATOM 0 HA CYS A 22 82.692 3.945 6.925 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.670 2.975 5.101 1.00 0.00 H new ATOM 0 HB3 CYS A 22 80.325 4.625 5.581 1.00 0.00 H new ATOM 326 N THR A 23 81.423 5.157 8.784 1.00 0.00 N ATOM 327 CA THR A 23 80.691 5.908 9.802 1.00 0.00 C ATOM 328 C THR A 23 80.782 7.386 9.456 1.00 0.00 C ATOM 329 O THR A 23 81.888 7.908 9.337 1.00 0.00 O ATOM 330 CB THR A 23 81.278 5.695 11.200 1.00 0.00 C ATOM 331 OG1 THR A 23 81.117 4.332 11.565 1.00 0.00 O ATOM 332 CG2 THR A 23 80.557 6.576 12.228 1.00 0.00 C ATOM 0 H THR A 23 82.421 5.364 8.744 1.00 0.00 H new ATOM 0 HA THR A 23 79.658 5.559 9.814 1.00 0.00 H new ATOM 0 HB THR A 23 82.334 5.964 11.185 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.492 4.186 12.459 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.988 6.410 13.215 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.672 7.624 11.953 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.498 6.320 12.247 1.00 0.00 H new ATOM 340 N ARG A 24 79.686 8.097 9.688 1.00 0.00 N ATOM 341 CA ARG A 24 79.698 9.548 9.560 1.00 0.00 C ATOM 342 C ARG A 24 79.861 10.175 10.941 1.00 0.00 C ATOM 343 O ARG A 24 79.141 9.823 11.875 1.00 0.00 O ATOM 344 CB ARG A 24 78.392 10.004 8.906 1.00 0.00 C ATOM 345 CG ARG A 24 78.244 9.292 7.559 1.00 0.00 C ATOM 346 CD ARG A 24 76.826 9.473 7.014 1.00 0.00 C ATOM 347 NE ARG A 24 76.602 8.553 5.906 1.00 0.00 N ATOM 348 CZ ARG A 24 76.466 7.247 6.114 1.00 0.00 C ATOM 349 NH1 ARG A 24 77.522 6.490 6.233 1.00 0.00 N ATOM 350 NH2 ARG A 24 75.275 6.719 6.175 1.00 0.00 N ATOM 0 H ARG A 24 78.788 7.699 9.962 1.00 0.00 H new ATOM 0 HA ARG A 24 80.532 9.865 8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 24 77.545 9.772 9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 24 78.398 11.085 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.968 9.691 6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.463 8.231 7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 24 76.097 9.290 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.683 10.501 6.680 1.00 0.00 H new ATOM 0 HE ARG A 24 76.549 8.917 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 24 78.454 6.900 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 24 77.416 5.488 6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 24 74.450 7.308 6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 24 75.169 5.717 6.334 1.00 0.00 H new ATOM 364 N SER A 25 80.650 11.241 11.012 1.00 0.00 N ATOM 365 CA SER A 25 80.823 11.981 12.257 1.00 0.00 C ATOM 366 C SER A 25 79.481 12.499 12.764 1.00 0.00 C ATOM 367 O SER A 25 79.436 13.411 13.590 1.00 0.00 O ATOM 368 CB SER A 25 81.800 13.141 12.058 1.00 0.00 C ATOM 369 OG SER A 25 82.923 12.686 11.319 1.00 0.00 O ATOM 0 H SER A 25 81.180 11.612 10.223 1.00 0.00 H new ATOM 0 HA SER A 25 81.236 11.303 13.004 1.00 0.00 H new ATOM 0 HB2 SER A 25 81.309 13.958 11.530 1.00 0.00 H new ATOM 0 HB3 SER A 25 82.120 13.532 13.024 1.00 0.00 H new ATOM 0 HG SER A 25 83.737 12.811 11.851 1.00 0.00 H new ATOM 375 N SER A 26 78.427 12.138 12.038 1.00 0.00 N ATOM 376 CA SER A 26 77.084 12.637 12.308 1.00 0.00 C ATOM 377 C SER A 26 76.268 11.556 13.014 1.00 0.00 C ATOM 378 O SER A 26 75.204 11.827 13.569 1.00 0.00 O ATOM 379 CB SER A 26 76.445 13.045 10.976 1.00 0.00 C ATOM 380 OG SER A 26 75.877 14.339 11.110 1.00 0.00 O ATOM 0 H SER A 26 78.480 11.494 11.249 1.00 0.00 H new ATOM 0 HA SER A 26 77.117 13.506 12.965 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.194 13.043 10.184 1.00 0.00 H new ATOM 0 HB3 SER A 26 75.678 12.325 10.691 1.00 0.00 H new ATOM 0 HG SER A 26 75.468 14.606 10.260 1.00 0.00 H new ATOM 386 N GLY A 27 76.749 10.318 12.935 1.00 0.00 N ATOM 387 CA GLY A 27 76.064 9.197 13.569 1.00 0.00 C ATOM 388 C GLY A 27 74.902 8.713 12.709 1.00 0.00 C ATOM 389 O GLY A 27 74.718 7.512 12.514 1.00 0.00 O ATOM 0 H GLY A 27 77.605 10.067 12.441 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.767 8.380 13.730 1.00 0.00 H new ATOM 0 HA3 GLY A 27 75.695 9.498 14.549 1.00 0.00 H new ATOM 393 N SER A 28 74.164 9.658 12.137 1.00 0.00 N ATOM 394 CA SER A 28 73.012 9.326 11.308 1.00 0.00 C ATOM 395 C SER A 28 73.441 8.588 10.044 1.00 0.00 C ATOM 396 O SER A 28 74.161 9.136 9.210 1.00 0.00 O ATOM 397 CB SER A 28 72.276 10.609 10.917 1.00 0.00 C ATOM 398 OG SER A 28 73.205 11.542 10.386 1.00 0.00 O ATOM 0 H SER A 28 74.343 10.658 12.232 1.00 0.00 H new ATOM 0 HA SER A 28 72.353 8.676 11.883 1.00 0.00 H new ATOM 0 HB2 SER A 28 71.504 10.388 10.180 1.00 0.00 H new ATOM 0 HB3 SER A 28 71.774 11.033 11.787 1.00 0.00 H new ATOM 0 HG SER A 28 73.876 11.068 9.852 1.00 0.00 H new ATOM 404 N ILE A 29 73.095 7.306 9.965 1.00 0.00 N ATOM 405 CA ILE A 29 73.495 6.463 8.843 1.00 0.00 C ATOM 406 C ILE A 29 72.333 5.617 8.338 1.00 0.00 C ATOM 407 O ILE A 29 71.824 5.844 7.241 1.00 0.00 O ATOM 408 CB ILE A 29 74.616 5.506 9.262 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.293 4.861 10.624 1.00 0.00 C ATOM 410 CG2 ILE A 29 75.969 6.236 9.302 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.832 3.402 10.528 1.00 0.00 C ATOM 0 H ILE A 29 72.535 6.826 10.670 1.00 0.00 H new ATOM 0 HA ILE A 29 73.834 7.133 8.053 1.00 0.00 H new ATOM 0 HB ILE A 29 74.688 4.711 8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.179 4.911 11.257 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.516 5.445 11.116 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.750 5.538 9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.197 6.633 8.313 1.00 0.00 H new ATOM 0 HG23 ILE A 29 75.919 7.055 10.020 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.624 3.020 11.527 1.00 0.00 H new ATOM 0 HD12 ILE A 29 72.927 3.345 9.922 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.616 2.802 10.066 1.00 0.00 H new ATOM 423 N ALA A 30 71.796 4.783 9.225 1.00 0.00 N ATOM 424 CA ALA A 30 70.650 3.956 8.866 1.00 0.00 C ATOM 425 C ALA A 30 69.502 4.880 8.484 1.00 0.00 C ATOM 426 O ALA A 30 68.424 4.445 8.078 1.00 0.00 O ATOM 427 CB ALA A 30 70.213 3.094 10.054 1.00 0.00 C ATOM 0 H ALA A 30 72.130 4.663 10.181 1.00 0.00 H new ATOM 0 HA ALA A 30 70.922 3.300 8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.357 2.484 9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.036 2.445 10.355 1.00 0.00 H new ATOM 0 HB3 ALA A 30 69.935 3.738 10.888 1.00 0.00 H new ATOM 433 N SER A 31 69.808 6.170 8.542 1.00 0.00 N ATOM 434 CA SER A 31 68.834 7.218 8.246 1.00 0.00 C ATOM 435 C SER A 31 69.128 7.896 6.912 1.00 0.00 C ATOM 436 O SER A 31 68.213 8.132 6.123 1.00 0.00 O ATOM 437 CB SER A 31 68.830 8.277 9.348 1.00 0.00 C ATOM 438 OG SER A 31 67.652 9.060 9.227 1.00 0.00 O ATOM 0 H SER A 31 70.732 6.520 8.794 1.00 0.00 H new ATOM 0 HA SER A 31 67.857 6.739 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.868 7.802 10.328 1.00 0.00 H new ATOM 0 HB3 SER A 31 69.714 8.910 9.266 1.00 0.00 H new ATOM 0 HG SER A 31 67.639 9.742 9.931 1.00 0.00 H new ATOM 444 N ASN A 32 70.404 7.947 6.544 1.00 0.00 N ATOM 445 CA ASN A 32 70.796 8.643 5.323 1.00 0.00 C ATOM 446 C ASN A 32 71.285 7.613 4.313 1.00 0.00 C ATOM 447 O ASN A 32 71.834 6.575 4.683 1.00 0.00 O ATOM 448 CB ASN A 32 71.945 9.619 5.593 1.00 0.00 C ATOM 449 CG ASN A 32 71.639 10.503 6.796 1.00 0.00 C ATOM 450 OD1 ASN A 32 70.671 11.263 6.777 1.00 0.00 O ATOM 451 ND2 ASN A 32 72.481 10.541 7.792 1.00 0.00 N ATOM 0 H ASN A 32 71.173 7.523 7.063 1.00 0.00 H new ATOM 0 HA ASN A 32 69.935 9.196 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 32 72.865 9.063 5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.113 10.241 4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 32 72.337 11.201 8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 32 73.283 9.911 7.806 1.00 0.00 H new ATOM 458 N TYR A 33 70.966 7.860 3.048 1.00 0.00 N ATOM 459 CA TYR A 33 71.278 6.906 1.993 1.00 0.00 C ATOM 460 C TYR A 33 72.772 6.932 1.696 1.00 0.00 C ATOM 461 O TYR A 33 73.383 7.999 1.643 1.00 0.00 O ATOM 462 CB TYR A 33 70.487 7.268 0.733 1.00 0.00 C ATOM 463 CG TYR A 33 69.074 7.675 1.081 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.381 7.072 2.140 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.421 8.618 0.277 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.064 7.449 2.425 1.00 0.00 C ATOM 467 CE2 TYR A 33 67.108 9.006 0.570 1.00 0.00 C ATOM 468 CZ TYR A 33 66.433 8.429 1.651 1.00 0.00 C ATOM 469 OH TYR A 33 65.136 8.803 1.936 1.00 0.00 O ATOM 0 H TYR A 33 70.495 8.707 2.730 1.00 0.00 H new ATOM 0 HA TYR A 33 71.002 5.903 2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 33 70.985 8.083 0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.467 6.416 0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.865 6.314 2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.932 9.047 -0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.534 6.983 3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.616 9.751 -0.038 1.00 0.00 H new ATOM 0 HH TYR A 33 64.849 9.495 1.304 1.00 0.00 H new ATOM 479 N VAL A 34 73.368 5.749 1.585 1.00 0.00 N ATOM 480 CA VAL A 34 74.799 5.631 1.328 1.00 0.00 C ATOM 481 C VAL A 34 75.033 4.858 0.036 1.00 0.00 C ATOM 482 O VAL A 34 74.313 3.913 -0.284 1.00 0.00 O ATOM 483 CB VAL A 34 75.489 4.921 2.499 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.951 5.359 2.607 1.00 0.00 C ATOM 485 CG2 VAL A 34 74.761 5.265 3.800 1.00 0.00 C ATOM 0 H VAL A 34 72.881 4.857 1.669 1.00 0.00 H new ATOM 0 HA VAL A 34 75.223 6.630 1.225 1.00 0.00 H new ATOM 0 HB VAL A 34 75.456 3.845 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.424 4.845 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.475 5.109 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 34 76.997 6.436 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.249 4.762 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 34 74.790 6.343 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 34 73.724 4.936 3.735 1.00 0.00 H new ATOM 495 N GLN A 35 76.084 5.252 -0.674 1.00 0.00 N ATOM 496 CA GLN A 35 76.407 4.659 -1.966 1.00 0.00 C ATOM 497 C GLN A 35 77.853 4.179 -1.957 1.00 0.00 C ATOM 498 O GLN A 35 78.674 4.673 -1.185 1.00 0.00 O ATOM 499 CB GLN A 35 76.223 5.715 -3.058 1.00 0.00 C ATOM 500 CG GLN A 35 76.726 7.072 -2.560 1.00 0.00 C ATOM 501 CD GLN A 35 75.670 7.750 -1.692 1.00 0.00 C ATOM 502 OE1 GLN A 35 75.869 8.878 -1.241 1.00 0.00 O ATOM 503 NE2 GLN A 35 74.554 7.130 -1.421 1.00 0.00 N ATOM 0 H GLN A 35 76.729 5.983 -0.375 1.00 0.00 H new ATOM 0 HA GLN A 35 75.749 3.812 -2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.768 5.422 -3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 35 75.171 5.786 -3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.644 6.938 -1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 35 76.970 7.710 -3.410 1.00 0.00 H new ATOM 0 HE21 GLN A 35 74.386 6.195 -1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 35 73.849 7.580 -0.837 1.00 0.00 H new ATOM 512 N TRP A 36 78.142 3.173 -2.777 1.00 0.00 N ATOM 513 CA TRP A 36 79.483 2.599 -2.830 1.00 0.00 C ATOM 514 C TRP A 36 79.970 2.511 -4.272 1.00 0.00 C ATOM 515 O TRP A 36 79.242 2.076 -5.164 1.00 0.00 O ATOM 516 CB TRP A 36 79.473 1.203 -2.205 1.00 0.00 C ATOM 517 CG TRP A 36 78.938 1.287 -0.812 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.658 1.576 -0.485 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.648 1.094 0.447 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.530 1.554 0.890 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.728 1.265 1.512 1.00 0.00 C ATOM 522 CE3 TRP A 36 80.973 0.756 0.765 1.00 0.00 C ATOM 523 CZ2 TRP A 36 79.116 1.113 2.847 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.373 0.637 2.102 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.450 0.808 3.141 1.00 0.00 C ATOM 0 H TRP A 36 77.470 2.740 -3.411 1.00 0.00 H new ATOM 0 HA TRP A 36 80.160 3.244 -2.270 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.859 0.529 -2.802 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.482 0.790 -2.195 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.864 1.789 -1.186 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.656 1.730 1.386 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.688 0.587 -0.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.394 1.230 3.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.403 0.411 2.334 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.767 0.705 4.168 1.00 0.00 H new ATOM 536 N TYR A 37 81.199 2.968 -4.489 1.00 0.00 N ATOM 537 CA TYR A 37 81.824 2.954 -5.807 1.00 0.00 C ATOM 538 C TYR A 37 83.087 2.101 -5.766 1.00 0.00 C ATOM 539 O TYR A 37 83.698 1.941 -4.710 1.00 0.00 O ATOM 540 CB TYR A 37 82.175 4.385 -6.226 1.00 0.00 C ATOM 541 CG TYR A 37 80.957 5.072 -6.797 1.00 0.00 C ATOM 542 CD1 TYR A 37 79.988 5.599 -5.936 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.803 5.186 -8.184 1.00 0.00 C ATOM 544 CE1 TYR A 37 78.864 6.244 -6.464 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.685 5.844 -8.710 1.00 0.00 C ATOM 546 CZ TYR A 37 78.720 6.380 -7.850 1.00 0.00 C ATOM 547 OH TYR A 37 77.602 7.001 -8.367 1.00 0.00 O ATOM 0 H TYR A 37 81.790 3.359 -3.755 1.00 0.00 H new ATOM 0 HA TYR A 37 81.130 2.530 -6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.547 4.943 -5.367 1.00 0.00 H new ATOM 0 HB3 TYR A 37 82.974 4.370 -6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 37 80.107 5.508 -4.866 1.00 0.00 H new ATOM 0 HD2 TYR A 37 81.546 4.767 -8.847 1.00 0.00 H new ATOM 0 HE1 TYR A 37 78.107 6.637 -5.802 1.00 0.00 H new ATOM 0 HE2 TYR A 37 79.567 5.938 -9.779 1.00 0.00 H new ATOM 0 HH TYR A 37 77.061 6.346 -8.856 1.00 0.00 H new ATOM 557 N GLN A 38 83.418 1.473 -6.891 1.00 0.00 N ATOM 558 CA GLN A 38 84.595 0.614 -6.964 1.00 0.00 C ATOM 559 C GLN A 38 85.415 0.977 -8.199 1.00 0.00 C ATOM 560 O GLN A 38 84.901 1.005 -9.317 1.00 0.00 O ATOM 561 CB GLN A 38 84.134 -0.848 -7.041 1.00 0.00 C ATOM 562 CG GLN A 38 85.054 -1.770 -6.234 1.00 0.00 C ATOM 563 CD GLN A 38 84.638 -1.784 -4.766 1.00 0.00 C ATOM 564 OE1 GLN A 38 84.897 -0.826 -4.038 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.890 -2.757 -4.323 1.00 0.00 N ATOM 0 H GLN A 38 82.890 1.543 -7.761 1.00 0.00 H new ATOM 0 HA GLN A 38 85.217 0.752 -6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 38 83.114 -0.929 -6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 38 84.116 -1.171 -8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 38 85.013 -2.781 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 38 86.087 -1.432 -6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.676 -3.551 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 38 83.520 -2.724 -3.373 1.00 0.00 H new ATOM 574 N GLN A 39 86.709 1.192 -7.987 1.00 0.00 N ATOM 575 CA GLN A 39 87.620 1.537 -9.070 1.00 0.00 C ATOM 576 C GLN A 39 88.621 0.408 -9.280 1.00 0.00 C ATOM 577 O GLN A 39 89.339 0.031 -8.354 1.00 0.00 O ATOM 578 CB GLN A 39 88.358 2.817 -8.677 1.00 0.00 C ATOM 579 CG GLN A 39 89.359 3.216 -9.761 1.00 0.00 C ATOM 580 CD GLN A 39 88.638 3.464 -11.081 1.00 0.00 C ATOM 581 OE1 GLN A 39 87.457 3.813 -11.087 1.00 0.00 O ATOM 582 NE2 GLN A 39 89.282 3.306 -12.204 1.00 0.00 N ATOM 0 H GLN A 39 87.151 1.133 -7.070 1.00 0.00 H new ATOM 0 HA GLN A 39 87.067 1.688 -9.997 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.641 3.623 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 39 88.879 2.667 -7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 39 89.895 4.115 -9.457 1.00 0.00 H new ATOM 0 HG3 GLN A 39 90.102 2.429 -9.887 1.00 0.00 H new ATOM 0 HE21 GLN A 39 90.260 3.017 -12.195 1.00 0.00 H new ATOM 0 HE22 GLN A 39 88.808 3.472 -13.092 1.00 0.00 H new ATOM 591 N ARG A 40 88.697 -0.098 -10.508 1.00 0.00 N ATOM 592 CA ARG A 40 89.630 -1.172 -10.838 1.00 0.00 C ATOM 593 C ARG A 40 90.528 -0.746 -11.998 1.00 0.00 C ATOM 594 O ARG A 40 90.061 -0.081 -12.923 1.00 0.00 O ATOM 595 CB ARG A 40 88.848 -2.438 -11.205 1.00 0.00 C ATOM 596 CG ARG A 40 87.568 -2.541 -10.364 1.00 0.00 C ATOM 597 CD ARG A 40 86.380 -1.926 -11.108 1.00 0.00 C ATOM 598 NE ARG A 40 86.209 -2.567 -12.407 1.00 0.00 N ATOM 599 CZ ARG A 40 85.506 -3.686 -12.543 1.00 0.00 C ATOM 600 NH1 ARG A 40 85.859 -4.764 -11.897 1.00 0.00 N ATOM 601 NH2 ARG A 40 84.465 -3.709 -13.330 1.00 0.00 N ATOM 0 H ARG A 40 88.124 0.218 -11.291 1.00 0.00 H new ATOM 0 HA ARG A 40 90.258 -1.383 -9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 40 88.594 -2.421 -12.265 1.00 0.00 H new ATOM 0 HB3 ARG A 40 89.470 -3.318 -11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 40 87.359 -3.586 -10.137 1.00 0.00 H new ATOM 0 HG3 ARG A 40 87.711 -2.030 -9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 40 85.472 -2.041 -10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 40 86.540 -0.856 -11.241 1.00 0.00 H new ATOM 0 HE ARG A 40 86.639 -2.146 -13.230 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.676 -4.748 -11.286 1.00 0.00 H new ATOM 0 HH12 ARG A 40 85.318 -5.622 -12.003 1.00 0.00 H new ATOM 0 HH21 ARG A 40 84.192 -2.869 -13.840 1.00 0.00 H new ATOM 0 HH22 ARG A 40 83.924 -4.567 -13.435 1.00 0.00 H new ATOM 658 N PRO A 45 85.272 4.056 -12.579 1.00 0.00 N ATOM 659 CA PRO A 45 84.455 3.785 -11.362 1.00 0.00 C ATOM 660 C PRO A 45 83.024 3.398 -11.725 1.00 0.00 C ATOM 661 O PRO A 45 82.394 4.048 -12.559 1.00 0.00 O ATOM 662 CB PRO A 45 84.503 5.098 -10.566 1.00 0.00 C ATOM 663 CG PRO A 45 85.404 6.025 -11.320 1.00 0.00 C ATOM 664 CD PRO A 45 85.481 5.503 -12.756 1.00 0.00 C ATOM 0 HA PRO A 45 84.840 2.944 -10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.506 5.526 -10.464 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.881 4.926 -9.558 1.00 0.00 H new ATOM 0 HG2 PRO A 45 85.014 7.043 -11.300 1.00 0.00 H new ATOM 0 HG3 PRO A 45 86.395 6.054 -10.866 1.00 0.00 H new ATOM 0 HD2 PRO A 45 84.716 5.949 -13.392 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.445 5.721 -13.216 1.00 0.00 H new ATOM 672 N THR A 46 82.458 2.456 -10.976 1.00 0.00 N ATOM 673 CA THR A 46 81.074 2.039 -11.185 1.00 0.00 C ATOM 674 C THR A 46 80.372 1.828 -9.848 1.00 0.00 C ATOM 675 O THR A 46 80.931 1.230 -8.929 1.00 0.00 O ATOM 676 CB THR A 46 81.041 0.739 -11.992 1.00 0.00 C ATOM 677 OG1 THR A 46 81.995 -0.171 -11.465 1.00 0.00 O ATOM 678 CG2 THR A 46 81.372 1.033 -13.457 1.00 0.00 C ATOM 0 H THR A 46 82.936 1.967 -10.219 1.00 0.00 H new ATOM 0 HA THR A 46 80.554 2.823 -11.735 1.00 0.00 H new ATOM 0 HB THR A 46 80.045 0.300 -11.928 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.972 -1.004 -11.981 1.00 0.00 H new ATOM 0 HG21 THR A 46 81.348 0.105 -14.029 1.00 0.00 H new ATOM 0 HG22 THR A 46 80.638 1.729 -13.863 1.00 0.00 H new ATOM 0 HG23 THR A 46 82.366 1.474 -13.524 1.00 0.00 H new ATOM 686 N THR A 47 79.155 2.352 -9.737 1.00 0.00 N ATOM 687 CA THR A 47 78.381 2.193 -8.512 1.00 0.00 C ATOM 688 C THR A 47 77.929 0.744 -8.360 1.00 0.00 C ATOM 689 O THR A 47 77.112 0.260 -9.143 1.00 0.00 O ATOM 690 CB THR A 47 77.158 3.112 -8.548 1.00 0.00 C ATOM 691 OG1 THR A 47 77.539 4.380 -9.059 1.00 0.00 O ATOM 692 CG2 THR A 47 76.592 3.279 -7.136 1.00 0.00 C ATOM 0 H THR A 47 78.688 2.884 -10.471 1.00 0.00 H new ATOM 0 HA THR A 47 79.009 2.460 -7.662 1.00 0.00 H new ATOM 0 HB THR A 47 76.394 2.672 -9.189 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.224 4.774 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.722 3.934 -7.168 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.299 2.305 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 47 77.352 3.717 -6.489 1.00 0.00 H new ATOM 700 N VAL A 48 78.365 0.094 -7.285 1.00 0.00 N ATOM 701 CA VAL A 48 78.005 -1.303 -7.062 1.00 0.00 C ATOM 702 C VAL A 48 76.843 -1.427 -6.082 1.00 0.00 C ATOM 703 O VAL A 48 76.064 -2.373 -6.183 1.00 0.00 O ATOM 704 CB VAL A 48 79.220 -2.084 -6.543 1.00 0.00 C ATOM 705 CG1 VAL A 48 78.774 -3.423 -5.937 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.243 -2.323 -7.668 1.00 0.00 C ATOM 0 H VAL A 48 78.959 0.504 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 48 77.687 -1.725 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 48 79.700 -1.488 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 48 79.646 -3.966 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.090 -3.238 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.269 -4.017 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.094 -2.878 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 48 79.776 -2.896 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.585 -1.365 -8.059 1.00 0.00 H new ATOM 716 N ILE A 49 76.610 -0.415 -5.252 1.00 0.00 N ATOM 717 CA ILE A 49 75.457 -0.423 -4.364 1.00 0.00 C ATOM 718 C ILE A 49 74.933 1.002 -4.231 1.00 0.00 C ATOM 719 O ILE A 49 75.696 1.936 -3.980 1.00 0.00 O ATOM 720 CB ILE A 49 75.857 -1.001 -3.000 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.912 -2.531 -3.067 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.844 -0.575 -1.932 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.648 -3.087 -1.845 1.00 0.00 C ATOM 0 H ILE A 49 77.200 0.414 -5.177 1.00 0.00 H new ATOM 0 HA ILE A 49 74.666 -1.052 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 49 76.843 -0.618 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.901 -2.937 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.419 -2.844 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.136 -0.990 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.820 0.513 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.854 -0.944 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.681 -4.175 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.664 -2.694 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 49 76.124 -2.788 -0.937 1.00 0.00 H new ATOM 735 N TYR A 50 73.611 1.107 -4.156 1.00 0.00 N ATOM 736 CA TYR A 50 72.944 2.386 -3.941 1.00 0.00 C ATOM 737 C TYR A 50 71.887 2.227 -2.854 1.00 0.00 C ATOM 738 O TYR A 50 71.702 1.132 -2.323 1.00 0.00 O ATOM 739 CB TYR A 50 72.284 2.843 -5.244 1.00 0.00 C ATOM 740 CG TYR A 50 71.697 4.223 -5.059 1.00 0.00 C ATOM 741 CD1 TYR A 50 72.542 5.338 -5.028 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.315 4.386 -4.903 1.00 0.00 C ATOM 743 CE1 TYR A 50 72.004 6.619 -4.852 1.00 0.00 C ATOM 744 CE2 TYR A 50 69.778 5.666 -4.720 1.00 0.00 C ATOM 745 CZ TYR A 50 70.622 6.782 -4.697 1.00 0.00 C ATOM 746 OH TYR A 50 70.092 8.046 -4.534 1.00 0.00 O ATOM 0 H TYR A 50 72.975 0.314 -4.242 1.00 0.00 H new ATOM 0 HA TYR A 50 73.674 3.133 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.017 2.854 -6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.503 2.140 -5.533 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.609 5.211 -5.140 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.664 3.525 -4.924 1.00 0.00 H new ATOM 0 HE1 TYR A 50 72.655 7.481 -4.836 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.713 5.792 -4.597 1.00 0.00 H new ATOM 0 HH TYR A 50 69.118 7.983 -4.441 1.00 0.00 H new ATOM 756 N GLU A 51 71.379 3.350 -2.362 1.00 0.00 N ATOM 757 CA GLU A 51 70.463 3.340 -1.227 1.00 0.00 C ATOM 758 C GLU A 51 70.977 2.398 -0.142 1.00 0.00 C ATOM 759 O GLU A 51 70.215 1.787 0.607 1.00 0.00 O ATOM 760 CB GLU A 51 69.111 2.836 -1.740 1.00 0.00 C ATOM 761 CG GLU A 51 68.010 3.181 -0.733 1.00 0.00 C ATOM 762 CD GLU A 51 67.532 4.614 -0.939 1.00 0.00 C ATOM 763 OE1 GLU A 51 67.340 4.994 -2.082 1.00 0.00 O ATOM 764 OE2 GLU A 51 67.333 5.298 0.051 1.00 0.00 O ATOM 0 H GLU A 51 71.585 4.279 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 51 70.376 4.339 -0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.887 3.289 -2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.150 1.758 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.174 2.492 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.386 3.059 0.283 1.00 0.00 H new ATOM 771 N ASP A 52 72.284 2.181 -0.182 1.00 0.00 N ATOM 772 CA ASP A 52 72.972 1.296 0.751 1.00 0.00 C ATOM 773 C ASP A 52 72.165 0.013 0.915 1.00 0.00 C ATOM 774 O ASP A 52 72.493 -0.826 1.754 1.00 0.00 O ATOM 775 CB ASP A 52 73.076 1.987 2.114 1.00 0.00 C ATOM 776 CG ASP A 52 74.133 1.302 2.974 1.00 0.00 C ATOM 777 OD1 ASP A 52 75.305 1.492 2.698 1.00 0.00 O ATOM 778 OD2 ASP A 52 73.755 0.600 3.898 1.00 0.00 O ATOM 0 H ASP A 52 72.902 2.616 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 52 73.967 1.065 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.332 3.038 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 52 72.111 1.957 2.619 1.00 0.00 H new ATOM 783 N ASN A 53 71.285 -0.245 -0.046 1.00 0.00 N ATOM 784 CA ASN A 53 70.606 -1.528 -0.174 1.00 0.00 C ATOM 785 C ASN A 53 70.769 -2.059 -1.595 1.00 0.00 C ATOM 786 O ASN A 53 70.739 -3.269 -1.819 1.00 0.00 O ATOM 787 CB ASN A 53 69.148 -1.381 0.276 1.00 0.00 C ATOM 788 CG ASN A 53 68.230 -1.020 -0.885 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.739 0.106 -0.968 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.910 -1.947 -1.746 1.00 0.00 N ATOM 0 H ASN A 53 71.022 0.433 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 53 71.056 -2.275 0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.812 -2.314 0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 53 69.081 -0.611 1.045 1.00 0.00 H new ATOM 0 HD21 ASN A 53 67.249 -1.741 -2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 53 68.321 -2.877 -1.670 1.00 0.00 H new ATOM 797 N GLN A 54 70.560 -1.144 -2.539 1.00 0.00 N ATOM 798 CA GLN A 54 70.460 -1.501 -3.950 1.00 0.00 C ATOM 799 C GLN A 54 71.688 -2.312 -4.355 1.00 0.00 C ATOM 800 O GLN A 54 72.789 -2.068 -3.862 1.00 0.00 O ATOM 801 CB GLN A 54 70.345 -0.232 -4.808 1.00 0.00 C ATOM 802 CG GLN A 54 69.031 -0.200 -5.593 1.00 0.00 C ATOM 803 CD GLN A 54 67.866 -0.215 -4.611 1.00 0.00 C ATOM 804 OE1 GLN A 54 66.706 -0.292 -5.014 1.00 0.00 O ATOM 805 NE2 GLN A 54 68.115 -0.074 -3.339 1.00 0.00 N ATOM 0 H GLN A 54 70.456 -0.147 -2.350 1.00 0.00 H new ATOM 0 HA GLN A 54 69.567 -2.105 -4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 54 70.409 0.648 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 54 71.185 -0.183 -5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 54 68.986 0.693 -6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 54 68.971 -1.059 -6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 54 69.079 -0.011 -3.012 1.00 0.00 H new ATOM 0 HE22 GLN A 54 67.346 -0.027 -2.671 1.00 0.00 H new ATOM 814 N ARG A 55 71.490 -3.289 -5.235 1.00 0.00 N ATOM 815 CA ARG A 55 72.598 -4.081 -5.760 1.00 0.00 C ATOM 816 C ARG A 55 72.308 -4.486 -7.206 1.00 0.00 C ATOM 817 O ARG A 55 71.445 -5.337 -7.426 1.00 0.00 O ATOM 818 CB ARG A 55 72.757 -5.324 -4.879 1.00 0.00 C ATOM 819 CG ARG A 55 74.175 -5.895 -4.979 1.00 0.00 C ATOM 820 CD ARG A 55 74.399 -6.883 -3.832 1.00 0.00 C ATOM 821 NE ARG A 55 73.222 -7.729 -3.666 1.00 0.00 N ATOM 822 CZ ARG A 55 72.905 -8.250 -2.486 1.00 0.00 C ATOM 823 NH1 ARG A 55 73.645 -9.191 -1.967 1.00 0.00 N ATOM 824 NH2 ARG A 55 71.877 -7.791 -1.826 1.00 0.00 N ATOM 0 H ARG A 55 70.574 -3.551 -5.599 1.00 0.00 H new ATOM 0 HA ARG A 55 73.520 -3.499 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 55 72.537 -5.069 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 55 72.034 -6.082 -5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 55 74.312 -6.395 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.909 -5.090 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 55 75.274 -7.499 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 55 74.601 -6.341 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 55 72.630 -7.925 -4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 55 74.468 -9.527 -2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 55 73.401 -9.590 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 55 71.318 -7.033 -2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 55 71.633 -8.191 -0.920 1.00 0.00 H new ATOM 838 N PRO A 56 72.970 -3.943 -8.197 1.00 0.00 N ATOM 839 CA PRO A 56 72.718 -4.338 -9.612 1.00 0.00 C ATOM 840 C PRO A 56 73.238 -5.741 -9.914 1.00 0.00 C ATOM 841 O PRO A 56 74.296 -6.138 -9.424 1.00 0.00 O ATOM 842 CB PRO A 56 73.439 -3.281 -10.461 1.00 0.00 C ATOM 843 CG PRO A 56 74.011 -2.275 -9.513 1.00 0.00 C ATOM 844 CD PRO A 56 74.022 -2.915 -8.124 1.00 0.00 C ATOM 0 HA PRO A 56 71.650 -4.375 -9.828 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.227 -3.739 -11.059 1.00 0.00 H new ATOM 0 HB3 PRO A 56 72.746 -2.806 -11.156 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.020 -1.993 -9.814 1.00 0.00 H new ATOM 0 HG3 PRO A 56 73.412 -1.364 -9.512 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.993 -3.353 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.811 -2.182 -7.345 1.00 0.00 H new ATOM 852 N SER A 57 72.565 -6.429 -10.831 1.00 0.00 N ATOM 853 CA SER A 57 73.010 -7.749 -11.263 1.00 0.00 C ATOM 854 C SER A 57 74.234 -7.647 -12.168 1.00 0.00 C ATOM 855 O SER A 57 75.034 -8.579 -12.247 1.00 0.00 O ATOM 856 CB SER A 57 71.878 -8.466 -12.001 1.00 0.00 C ATOM 857 OG SER A 57 70.741 -8.546 -11.154 1.00 0.00 O ATOM 0 H SER A 57 71.715 -6.097 -11.287 1.00 0.00 H new ATOM 0 HA SER A 57 73.286 -8.321 -10.377 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.627 -7.929 -12.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.197 -9.466 -12.296 1.00 0.00 H new ATOM 0 HG SER A 57 70.014 -9.003 -11.625 1.00 0.00 H new ATOM 863 N GLY A 58 74.335 -6.548 -12.907 1.00 0.00 N ATOM 864 CA GLY A 58 75.440 -6.373 -13.842 1.00 0.00 C ATOM 865 C GLY A 58 76.778 -6.570 -13.139 1.00 0.00 C ATOM 866 O GLY A 58 77.650 -7.287 -13.630 1.00 0.00 O ATOM 0 H GLY A 58 73.673 -5.773 -12.878 1.00 0.00 H new ATOM 0 HA2 GLY A 58 75.346 -7.086 -14.661 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.397 -5.376 -14.280 1.00 0.00 H new ATOM 870 N VAL A 59 76.931 -5.937 -11.980 1.00 0.00 N ATOM 871 CA VAL A 59 78.160 -6.043 -11.201 1.00 0.00 C ATOM 872 C VAL A 59 78.054 -7.194 -10.202 1.00 0.00 C ATOM 873 O VAL A 59 76.974 -7.444 -9.665 1.00 0.00 O ATOM 874 CB VAL A 59 78.397 -4.731 -10.446 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.617 -3.598 -11.455 1.00 0.00 C ATOM 876 CG2 VAL A 59 77.194 -4.427 -9.541 1.00 0.00 C ATOM 0 H VAL A 59 76.217 -5.343 -11.558 1.00 0.00 H new ATOM 0 HA VAL A 59 78.994 -6.236 -11.876 1.00 0.00 H new ATOM 0 HB VAL A 59 79.284 -4.821 -9.819 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.786 -2.663 -10.921 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.486 -3.825 -12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.736 -3.500 -12.089 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.368 -3.493 -9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.295 -4.335 -10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.065 -5.237 -8.823 1.00 0.00 H new ATOM 886 N PRO A 60 79.125 -7.891 -9.923 1.00 0.00 N ATOM 887 CA PRO A 60 79.089 -9.050 -8.987 1.00 0.00 C ATOM 888 C PRO A 60 78.463 -8.663 -7.649 1.00 0.00 C ATOM 889 O PRO A 60 78.925 -7.729 -6.999 1.00 0.00 O ATOM 890 CB PRO A 60 80.555 -9.473 -8.816 1.00 0.00 C ATOM 891 CG PRO A 60 81.396 -8.534 -9.625 1.00 0.00 C ATOM 892 CD PRO A 60 80.466 -7.681 -10.492 1.00 0.00 C ATOM 0 HA PRO A 60 78.476 -9.864 -9.374 1.00 0.00 H new ATOM 0 HB2 PRO A 60 80.844 -9.437 -7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 60 80.698 -10.500 -9.151 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.993 -7.899 -8.970 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.093 -9.092 -10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.749 -6.629 -10.460 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.505 -7.990 -11.537 1.00 0.00 H new ATOM 900 N ASP A 61 77.347 -9.295 -7.302 1.00 0.00 N ATOM 901 CA ASP A 61 76.681 -9.015 -6.035 1.00 0.00 C ATOM 902 C ASP A 61 77.576 -9.322 -4.837 1.00 0.00 C ATOM 903 O ASP A 61 77.099 -9.361 -3.703 1.00 0.00 O ATOM 904 CB ASP A 61 75.366 -9.791 -5.936 1.00 0.00 C ATOM 905 CG ASP A 61 75.608 -11.279 -6.164 1.00 0.00 C ATOM 906 OD1 ASP A 61 76.498 -11.604 -6.932 1.00 0.00 O ATOM 907 OD2 ASP A 61 74.856 -12.068 -5.616 1.00 0.00 O ATOM 0 H ASP A 61 76.887 -10.001 -7.877 1.00 0.00 H new ATOM 0 HA ASP A 61 76.463 -7.947 -6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 61 74.918 -9.635 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 61 74.658 -9.414 -6.674 1.00 0.00 H new ATOM 912 N ARG A 62 78.793 -9.782 -5.113 1.00 0.00 N ATOM 913 CA ARG A 62 79.699 -10.220 -4.056 1.00 0.00 C ATOM 914 C ARG A 62 79.748 -9.228 -2.898 1.00 0.00 C ATOM 915 O ARG A 62 80.168 -9.583 -1.796 1.00 0.00 O ATOM 916 CB ARG A 62 81.115 -10.370 -4.614 1.00 0.00 C ATOM 917 CG ARG A 62 81.174 -11.549 -5.586 1.00 0.00 C ATOM 918 CD ARG A 62 82.629 -11.788 -5.994 1.00 0.00 C ATOM 919 NE ARG A 62 83.166 -10.610 -6.668 1.00 0.00 N ATOM 920 CZ ARG A 62 84.100 -9.846 -6.109 1.00 0.00 C ATOM 921 NH1 ARG A 62 85.252 -10.365 -5.780 1.00 0.00 N ATOM 922 NH2 ARG A 62 83.838 -8.600 -5.821 1.00 0.00 N ATOM 0 H ARG A 62 79.173 -9.861 -6.056 1.00 0.00 H new ATOM 0 HA ARG A 62 79.322 -11.174 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 62 81.413 -9.453 -5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 62 81.821 -10.525 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 62 80.763 -12.443 -5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.566 -11.342 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.228 -12.016 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.691 -12.653 -6.654 1.00 0.00 H new ATOM 0 HE ARG A 62 82.815 -10.366 -7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 62 85.434 -11.354 -5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 62 85.970 -9.782 -5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 62 82.917 -8.212 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 62 84.554 -8.014 -5.392 1.00 0.00 H new ATOM 936 N PHE A 63 79.182 -8.041 -3.092 1.00 0.00 N ATOM 937 CA PHE A 63 79.207 -7.012 -2.057 1.00 0.00 C ATOM 938 C PHE A 63 77.828 -6.907 -1.418 1.00 0.00 C ATOM 939 O PHE A 63 76.812 -7.045 -2.099 1.00 0.00 O ATOM 940 CB PHE A 63 79.578 -5.660 -2.673 1.00 0.00 C ATOM 941 CG PHE A 63 80.686 -5.859 -3.676 1.00 0.00 C ATOM 942 CD1 PHE A 63 80.366 -6.352 -4.944 1.00 0.00 C ATOM 943 CD2 PHE A 63 81.997 -5.471 -3.379 1.00 0.00 C ATOM 944 CE1 PHE A 63 81.373 -6.506 -5.904 1.00 0.00 C ATOM 945 CE2 PHE A 63 83.005 -5.630 -4.338 1.00 0.00 C ATOM 946 CZ PHE A 63 82.691 -6.143 -5.602 1.00 0.00 C ATOM 0 H PHE A 63 78.703 -7.768 -3.950 1.00 0.00 H new ATOM 0 HA PHE A 63 79.947 -7.281 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 63 78.708 -5.217 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 63 79.897 -4.967 -1.894 1.00 0.00 H new ATOM 0 HD1 PHE A 63 79.346 -6.613 -5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 63 82.231 -5.050 -2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 63 81.133 -6.905 -6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 63 84.023 -5.357 -4.103 1.00 0.00 H new ATOM 0 HZ PHE A 63 83.466 -6.259 -6.345 1.00 0.00 H new ATOM 956 N SER A 64 77.798 -6.670 -0.110 1.00 0.00 N ATOM 957 CA SER A 64 76.528 -6.558 0.601 1.00 0.00 C ATOM 958 C SER A 64 76.442 -5.237 1.348 1.00 0.00 C ATOM 959 O SER A 64 77.012 -5.093 2.423 1.00 0.00 O ATOM 960 CB SER A 64 76.356 -7.723 1.575 1.00 0.00 C ATOM 961 OG SER A 64 74.988 -7.853 1.932 1.00 0.00 O ATOM 0 H SER A 64 78.627 -6.553 0.473 1.00 0.00 H new ATOM 0 HA SER A 64 75.724 -6.592 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.711 -8.647 1.118 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.960 -7.556 2.467 1.00 0.00 H new ATOM 0 HG SER A 64 74.882 -8.602 2.555 1.00 0.00 H new ATOM 967 N GLY A 65 75.393 -4.502 1.010 1.00 0.00 N ATOM 968 CA GLY A 65 75.120 -3.211 1.622 1.00 0.00 C ATOM 969 C GLY A 65 73.964 -3.323 2.610 1.00 0.00 C ATOM 970 O GLY A 65 72.862 -3.724 2.237 1.00 0.00 O ATOM 0 H GLY A 65 74.710 -4.783 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 65 76.011 -2.849 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.878 -2.480 0.851 1.00 0.00 H new ATOM 974 N SER A 66 74.211 -2.971 3.869 1.00 0.00 N ATOM 975 CA SER A 66 73.167 -3.069 4.881 1.00 0.00 C ATOM 976 C SER A 66 73.453 -2.137 6.053 1.00 0.00 C ATOM 977 O SER A 66 74.542 -1.575 6.167 1.00 0.00 O ATOM 978 CB SER A 66 73.075 -4.510 5.386 1.00 0.00 C ATOM 979 OG SER A 66 74.077 -4.731 6.368 1.00 0.00 O ATOM 0 H SER A 66 75.108 -2.622 4.207 1.00 0.00 H new ATOM 0 HA SER A 66 72.221 -2.774 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.088 -4.696 5.809 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.203 -5.206 4.557 1.00 0.00 H new ATOM 0 HG SER A 66 74.887 -4.235 6.126 1.00 0.00 H new ATOM 985 N ILE A 67 72.425 -1.893 6.859 1.00 0.00 N ATOM 986 CA ILE A 67 72.526 -0.965 7.980 1.00 0.00 C ATOM 987 C ILE A 67 71.802 -1.521 9.201 1.00 0.00 C ATOM 988 O ILE A 67 71.175 -2.577 9.125 1.00 0.00 O ATOM 989 CB ILE A 67 71.933 0.395 7.590 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.707 0.175 6.698 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.966 1.278 6.872 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.665 -0.689 7.412 1.00 0.00 C ATOM 0 H ILE A 67 71.508 -2.327 6.756 1.00 0.00 H new ATOM 0 HA ILE A 67 73.579 -0.836 8.231 1.00 0.00 H new ATOM 0 HB ILE A 67 71.637 0.917 8.500 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.268 1.136 6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 67 71.010 -0.306 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.510 2.233 6.611 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.818 1.450 7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 67 73.304 0.778 5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.803 -0.832 6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 67 70.101 -1.658 7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.348 -0.193 8.329 1.00 0.00 H new ATOM 1004 N ASP A 68 72.251 -1.045 10.356 1.00 0.00 N ATOM 1005 CA ASP A 68 71.673 -1.447 11.636 1.00 0.00 C ATOM 1006 C ASP A 68 70.700 -0.401 12.173 1.00 0.00 C ATOM 1007 O ASP A 68 70.901 0.799 11.987 1.00 0.00 O ATOM 1008 CB ASP A 68 72.796 -1.709 12.639 1.00 0.00 C ATOM 1009 CG ASP A 68 73.632 -2.889 12.153 1.00 0.00 C ATOM 1010 OD1 ASP A 68 73.128 -3.652 11.344 1.00 0.00 O ATOM 1011 OD2 ASP A 68 74.800 -2.944 12.502 1.00 0.00 O ATOM 0 H ASP A 68 73.018 -0.377 10.434 1.00 0.00 H new ATOM 0 HA ASP A 68 71.101 -2.362 11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.421 -0.822 12.744 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.379 -1.923 13.623 1.00 0.00 H new ATOM 1016 N SER A 69 69.725 -0.851 12.957 1.00 0.00 N ATOM 1017 CA SER A 69 68.774 0.064 13.578 1.00 0.00 C ATOM 1018 C SER A 69 69.461 0.931 14.629 1.00 0.00 C ATOM 1019 O SER A 69 68.861 1.859 15.171 1.00 0.00 O ATOM 1020 CB SER A 69 67.640 -0.728 14.232 1.00 0.00 C ATOM 1021 OG SER A 69 66.817 -1.294 13.223 1.00 0.00 O ATOM 0 H SER A 69 69.573 -1.836 13.176 1.00 0.00 H new ATOM 0 HA SER A 69 68.368 0.713 12.802 1.00 0.00 H new ATOM 0 HB2 SER A 69 68.049 -1.514 14.866 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.049 -0.075 14.875 1.00 0.00 H new ATOM 0 HG SER A 69 66.091 -1.803 13.640 1.00 0.00 H new ATOM 1027 N SER A 70 70.714 0.606 14.929 1.00 0.00 N ATOM 1028 CA SER A 70 71.469 1.355 15.925 1.00 0.00 C ATOM 1029 C SER A 70 71.625 2.812 15.505 1.00 0.00 C ATOM 1030 O SER A 70 71.556 3.716 16.338 1.00 0.00 O ATOM 1031 CB SER A 70 72.852 0.727 16.104 1.00 0.00 C ATOM 1032 OG SER A 70 72.713 -0.542 16.726 1.00 0.00 O ATOM 0 H SER A 70 71.225 -0.166 14.500 1.00 0.00 H new ATOM 0 HA SER A 70 70.922 1.320 16.867 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.343 0.619 15.137 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.483 1.376 16.712 1.00 0.00 H new ATOM 0 HG SER A 70 73.597 -0.949 16.841 1.00 0.00 H new ATOM 1038 N SER A 71 71.890 3.026 14.221 1.00 0.00 N ATOM 1039 CA SER A 71 72.091 4.374 13.700 1.00 0.00 C ATOM 1040 C SER A 71 73.503 4.859 14.014 1.00 0.00 C ATOM 1041 O SER A 71 73.722 6.048 14.243 1.00 0.00 O ATOM 1042 CB SER A 71 71.049 5.337 14.278 1.00 0.00 C ATOM 1043 OG SER A 71 69.837 4.630 14.498 1.00 0.00 O ATOM 0 H SER A 71 71.971 2.286 13.523 1.00 0.00 H new ATOM 0 HA SER A 71 71.967 4.348 12.617 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.410 5.765 15.213 1.00 0.00 H new ATOM 0 HB3 SER A 71 70.881 6.167 13.591 1.00 0.00 H new ATOM 0 HG SER A 71 69.166 5.240 14.870 1.00 0.00 H new ATOM 1049 N ASN A 72 74.431 3.915 14.146 1.00 0.00 N ATOM 1050 CA ASN A 72 75.807 4.239 14.510 1.00 0.00 C ATOM 1051 C ASN A 72 76.699 4.287 13.273 1.00 0.00 C ATOM 1052 O ASN A 72 77.604 5.117 13.186 1.00 0.00 O ATOM 1053 CB ASN A 72 76.345 3.196 15.494 1.00 0.00 C ATOM 1054 CG ASN A 72 77.504 3.773 16.302 1.00 0.00 C ATOM 1055 OD1 ASN A 72 77.523 4.969 16.595 1.00 0.00 O ATOM 1056 ND2 ASN A 72 78.470 2.989 16.694 1.00 0.00 N ATOM 0 H ASN A 72 74.255 2.920 14.006 1.00 0.00 H new ATOM 0 HA ASN A 72 75.815 5.222 14.981 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.549 2.876 16.166 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.677 2.312 14.950 1.00 0.00 H new ATOM 0 HD21 ASN A 72 79.242 3.366 17.244 1.00 0.00 H new ATOM 0 HD22 ASN A 72 78.453 1.999 16.451 1.00 0.00 H new ATOM 1063 N SER A 73 76.508 3.334 12.365 1.00 0.00 N ATOM 1064 CA SER A 73 77.316 3.305 11.150 1.00 0.00 C ATOM 1065 C SER A 73 76.700 2.395 10.091 1.00 0.00 C ATOM 1066 O SER A 73 75.958 1.473 10.429 1.00 0.00 O ATOM 1067 CB SER A 73 78.731 2.832 11.487 1.00 0.00 C ATOM 1068 OG SER A 73 78.704 1.447 11.798 1.00 0.00 O ATOM 0 H SER A 73 75.817 2.588 12.443 1.00 0.00 H new ATOM 0 HA SER A 73 77.353 4.315 10.741 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.397 3.014 10.644 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.124 3.398 12.332 1.00 0.00 H new ATOM 0 HG SER A 73 79.610 1.142 12.012 1.00 0.00 H new ATOM 1074 N ALA A 74 77.302 2.380 8.905 1.00 0.00 N ATOM 1075 CA ALA A 74 76.775 1.575 7.806 1.00 0.00 C ATOM 1076 C ALA A 74 77.698 0.391 7.537 1.00 0.00 C ATOM 1077 O ALA A 74 78.911 0.556 7.408 1.00 0.00 O ATOM 1078 CB ALA A 74 76.682 2.426 6.537 1.00 0.00 C ATOM 0 H ALA A 74 78.145 2.909 8.681 1.00 0.00 H new ATOM 0 HA ALA A 74 75.785 1.213 8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.288 1.820 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.018 3.272 6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.674 2.793 6.271 1.00 0.00 H new ATOM 1084 N SER A 75 77.124 -0.808 7.620 1.00 0.00 N ATOM 1085 CA SER A 75 77.906 -2.048 7.607 1.00 0.00 C ATOM 1086 C SER A 75 77.598 -2.930 6.400 1.00 0.00 C ATOM 1087 O SER A 75 76.466 -2.870 5.922 1.00 0.00 O ATOM 1088 CB SER A 75 77.590 -2.887 8.845 1.00 0.00 C ATOM 1089 OG SER A 75 77.972 -2.182 10.016 1.00 0.00 O ATOM 0 H SER A 75 76.117 -0.950 7.697 1.00 0.00 H new ATOM 0 HA SER A 75 78.950 -1.737 7.576 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.525 -3.115 8.878 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.118 -3.839 8.794 1.00 0.00 H new ATOM 0 HG SER A 75 77.765 -2.724 10.806 1.00 0.00 H new ATOM 1095 N LEU A 76 78.624 -3.119 5.577 1.00 0.00 N ATOM 1096 CA LEU A 76 78.622 -4.083 4.478 1.00 0.00 C ATOM 1097 C LEU A 76 79.283 -5.441 4.731 1.00 0.00 C ATOM 1098 O LEU A 76 80.393 -5.498 5.254 1.00 0.00 O ATOM 1099 CB LEU A 76 79.094 -3.364 3.213 1.00 0.00 C ATOM 1100 CG LEU A 76 79.707 -4.340 2.201 1.00 0.00 C ATOM 1101 CD1 LEU A 76 79.614 -3.717 0.803 1.00 0.00 C ATOM 1102 CD2 LEU A 76 81.169 -4.625 2.569 1.00 0.00 C ATOM 0 H LEU A 76 79.497 -2.598 5.655 1.00 0.00 H new ATOM 0 HA LEU A 76 77.593 -4.420 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 76 78.253 -2.845 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.830 -2.605 3.479 1.00 0.00 H new ATOM 0 HG LEU A 76 79.164 -5.285 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 76 80.046 -4.399 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.568 -3.534 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 76 80.161 -2.774 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.598 -5.319 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.735 -3.694 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.214 -5.065 3.565 1.00 0.00 H new ATOM 1114 N THR A 77 78.691 -6.523 4.225 1.00 0.00 N ATOM 1115 CA THR A 77 79.390 -7.805 4.100 1.00 0.00 C ATOM 1116 C THR A 77 79.736 -8.159 2.650 1.00 0.00 C ATOM 1117 O THR A 77 78.856 -8.485 1.856 1.00 0.00 O ATOM 1118 CB THR A 77 78.472 -8.870 4.700 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.515 -8.771 6.117 1.00 0.00 O ATOM 1120 CG2 THR A 77 78.876 -10.288 4.285 1.00 0.00 C ATOM 0 H THR A 77 77.726 -6.538 3.894 1.00 0.00 H new ATOM 0 HA THR A 77 80.344 -7.746 4.625 1.00 0.00 H new ATOM 0 HB THR A 77 77.465 -8.690 4.324 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.410 -8.489 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.193 -11.008 4.737 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.830 -10.376 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 77 79.892 -10.490 4.623 1.00 0.00 H new ATOM 1128 N ILE A 78 81.005 -8.468 2.402 1.00 0.00 N ATOM 1129 CA ILE A 78 81.441 -8.975 1.101 1.00 0.00 C ATOM 1130 C ILE A 78 81.695 -10.478 1.179 1.00 0.00 C ATOM 1131 O ILE A 78 82.731 -10.922 1.675 1.00 0.00 O ATOM 1132 CB ILE A 78 82.702 -8.221 0.655 1.00 0.00 C ATOM 1133 CG1 ILE A 78 82.324 -6.857 0.056 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.496 -9.028 -0.380 1.00 0.00 C ATOM 1135 CD1 ILE A 78 83.363 -5.801 0.442 1.00 0.00 C ATOM 0 H ILE A 78 81.755 -8.376 3.088 1.00 0.00 H new ATOM 0 HA ILE A 78 80.657 -8.808 0.362 1.00 0.00 H new ATOM 0 HB ILE A 78 83.327 -8.073 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 78 82.260 -6.934 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 78 81.339 -6.556 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.383 -8.468 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.797 -9.981 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.873 -9.210 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 78 83.083 -4.840 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.406 -5.713 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 78 84.341 -6.097 0.063 1.00 0.00 H new ATOM 1147 N SER A 79 80.825 -11.246 0.532 1.00 0.00 N ATOM 1148 CA SER A 79 80.973 -12.698 0.481 1.00 0.00 C ATOM 1149 C SER A 79 81.634 -13.118 -0.829 1.00 0.00 C ATOM 1150 O SER A 79 81.527 -12.424 -1.840 1.00 0.00 O ATOM 1151 CB SER A 79 79.592 -13.349 0.613 1.00 0.00 C ATOM 1152 OG SER A 79 79.427 -14.358 -0.373 1.00 0.00 O ATOM 0 H SER A 79 80.009 -10.888 0.035 1.00 0.00 H new ATOM 0 HA SER A 79 81.608 -13.026 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.479 -13.781 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.814 -12.593 0.504 1.00 0.00 H new ATOM 0 HG SER A 79 78.542 -14.767 -0.277 1.00 0.00 H new ATOM 1158 N GLY A 80 82.272 -14.284 -0.817 1.00 0.00 N ATOM 1159 CA GLY A 80 82.902 -14.810 -2.022 1.00 0.00 C ATOM 1160 C GLY A 80 84.055 -13.916 -2.465 1.00 0.00 C ATOM 1161 O GLY A 80 84.177 -13.583 -3.644 1.00 0.00 O ATOM 0 H GLY A 80 82.366 -14.878 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.270 -15.819 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.164 -14.883 -2.821 1.00 0.00 H new ATOM 1165 N LEU A 81 84.850 -13.462 -1.502 1.00 0.00 N ATOM 1166 CA LEU A 81 85.974 -12.588 -1.807 1.00 0.00 C ATOM 1167 C LEU A 81 87.010 -13.330 -2.645 1.00 0.00 C ATOM 1168 O LEU A 81 87.402 -14.451 -2.321 1.00 0.00 O ATOM 1169 CB LEU A 81 86.604 -12.091 -0.503 1.00 0.00 C ATOM 1170 CG LEU A 81 87.816 -11.183 -0.775 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.562 -9.763 -0.260 1.00 0.00 C ATOM 1172 CD2 LEU A 81 89.060 -11.737 -0.075 1.00 0.00 C ATOM 0 H LEU A 81 84.738 -13.683 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 81 85.616 -11.733 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.860 -11.544 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.915 -12.944 0.101 1.00 0.00 H new ATOM 0 HG LEU A 81 87.973 -11.155 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.433 -9.141 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.691 -9.344 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.381 -9.793 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.911 -11.086 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 81 88.883 -11.783 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.273 -12.738 -0.450 1.00 0.00 H new ATOM 1184 N LYS A 82 87.522 -12.645 -3.662 1.00 0.00 N ATOM 1185 CA LYS A 82 88.563 -13.208 -4.514 1.00 0.00 C ATOM 1186 C LYS A 82 89.430 -12.096 -5.093 1.00 0.00 C ATOM 1187 O LYS A 82 89.126 -10.913 -4.945 1.00 0.00 O ATOM 1188 CB LYS A 82 87.919 -14.027 -5.642 1.00 0.00 C ATOM 1189 CG LYS A 82 88.490 -15.447 -5.660 1.00 0.00 C ATOM 1190 CD LYS A 82 87.843 -16.279 -6.773 1.00 0.00 C ATOM 1191 CE LYS A 82 86.541 -16.917 -6.280 1.00 0.00 C ATOM 1192 NZ LYS A 82 86.859 -17.984 -5.291 1.00 0.00 N ATOM 0 H LYS A 82 87.233 -11.700 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 82 89.198 -13.863 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.839 -14.064 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 82 88.100 -13.543 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.569 -15.408 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.318 -15.925 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 82 87.640 -15.646 -7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 82 88.533 -17.056 -7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 82 85.902 -16.161 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 82 85.988 -17.337 -7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 86.086 -18.680 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 87.744 -18.457 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 86.969 -17.561 -4.347 1.00 0.00 H new ATOM 1206 N THR A 83 90.448 -12.497 -5.848 1.00 0.00 N ATOM 1207 CA THR A 83 91.269 -11.536 -6.574 1.00 0.00 C ATOM 1208 C THR A 83 90.370 -10.527 -7.277 1.00 0.00 C ATOM 1209 O THR A 83 90.826 -9.474 -7.724 1.00 0.00 O ATOM 1210 CB THR A 83 92.163 -12.253 -7.589 1.00 0.00 C ATOM 1211 OG1 THR A 83 92.600 -11.324 -8.571 1.00 0.00 O ATOM 1212 CG2 THR A 83 91.381 -13.379 -8.268 1.00 0.00 C ATOM 0 H THR A 83 90.722 -13.472 -5.972 1.00 0.00 H new ATOM 0 HA THR A 83 91.912 -11.011 -5.867 1.00 0.00 H new ATOM 0 HB THR A 83 93.025 -12.676 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.407 -10.412 -8.268 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.023 -13.885 -8.989 1.00 0.00 H new ATOM 0 HG22 THR A 83 91.046 -14.094 -7.516 1.00 0.00 H new ATOM 0 HG23 THR A 83 90.516 -12.962 -8.783 1.00 0.00 H new ATOM 1220 N GLU A 84 89.118 -10.925 -7.481 1.00 0.00 N ATOM 1221 CA GLU A 84 88.150 -10.049 -8.131 1.00 0.00 C ATOM 1222 C GLU A 84 87.768 -8.880 -7.228 1.00 0.00 C ATOM 1223 O GLU A 84 87.689 -7.740 -7.687 1.00 0.00 O ATOM 1224 CB GLU A 84 86.892 -10.840 -8.494 1.00 0.00 C ATOM 1225 CG GLU A 84 87.248 -11.913 -9.524 1.00 0.00 C ATOM 1226 CD GLU A 84 86.013 -12.748 -9.846 1.00 0.00 C ATOM 1227 OE1 GLU A 84 84.956 -12.429 -9.327 1.00 0.00 O ATOM 1228 OE2 GLU A 84 86.144 -13.691 -10.610 1.00 0.00 O ATOM 0 H GLU A 84 88.753 -11.838 -7.209 1.00 0.00 H new ATOM 0 HA GLU A 84 88.612 -9.652 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.469 -11.302 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.132 -10.171 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.630 -11.446 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 84 88.041 -12.553 -9.137 1.00 0.00 H new ATOM 1235 N ASP A 85 87.592 -9.149 -5.938 1.00 0.00 N ATOM 1236 CA ASP A 85 87.215 -8.091 -5.007 1.00 0.00 C ATOM 1237 C ASP A 85 88.387 -7.138 -4.792 1.00 0.00 C ATOM 1238 O ASP A 85 88.214 -6.043 -4.257 1.00 0.00 O ATOM 1239 CB ASP A 85 86.780 -8.704 -3.669 1.00 0.00 C ATOM 1240 CG ASP A 85 85.260 -8.791 -3.569 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.630 -7.746 -3.575 1.00 0.00 O ATOM 1242 OD2 ASP A 85 84.750 -9.893 -3.464 1.00 0.00 O ATOM 0 H ASP A 85 87.702 -10.073 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 85 86.381 -7.530 -5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 85 87.211 -9.700 -3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.167 -8.102 -2.847 1.00 0.00 H new ATOM 1247 N GLU A 86 89.553 -7.515 -5.305 1.00 0.00 N ATOM 1248 CA GLU A 86 90.729 -6.663 -5.180 1.00 0.00 C ATOM 1249 C GLU A 86 90.514 -5.356 -5.934 1.00 0.00 C ATOM 1250 O GLU A 86 90.215 -5.367 -7.128 1.00 0.00 O ATOM 1251 CB GLU A 86 91.952 -7.382 -5.751 1.00 0.00 C ATOM 1252 CG GLU A 86 93.213 -6.593 -5.397 1.00 0.00 C ATOM 1253 CD GLU A 86 94.450 -7.355 -5.861 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.705 -7.357 -7.054 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.119 -7.931 -5.019 1.00 0.00 O ATOM 0 H GLU A 86 89.708 -8.391 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 86 90.893 -6.445 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.016 -8.392 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.860 -7.477 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.182 -5.611 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.259 -6.428 -4.320 1.00 0.00 H new ATOM 1262 N ALA A 87 90.681 -4.238 -5.235 1.00 0.00 N ATOM 1263 CA ALA A 87 90.500 -2.924 -5.842 1.00 0.00 C ATOM 1264 C ALA A 87 90.339 -1.864 -4.756 1.00 0.00 C ATOM 1265 O ALA A 87 90.626 -2.113 -3.586 1.00 0.00 O ATOM 1266 CB ALA A 87 89.271 -2.923 -6.759 1.00 0.00 C ATOM 0 H ALA A 87 90.941 -4.215 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 87 91.382 -2.692 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.150 -1.935 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.405 -3.663 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.383 -3.170 -6.177 1.00 0.00 H new ATOM 1272 N ASP A 88 90.063 -0.635 -5.185 1.00 0.00 N ATOM 1273 CA ASP A 88 89.857 0.473 -4.259 1.00 0.00 C ATOM 1274 C ASP A 88 88.373 0.671 -3.961 1.00 0.00 C ATOM 1275 O ASP A 88 87.527 0.485 -4.836 1.00 0.00 O ATOM 1276 CB ASP A 88 90.443 1.753 -4.855 1.00 0.00 C ATOM 1277 CG ASP A 88 91.955 1.615 -4.990 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.390 0.660 -5.612 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.656 2.468 -4.470 1.00 0.00 O ATOM 0 H ASP A 88 89.977 -0.382 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 88 90.363 0.239 -3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 88 89.998 1.948 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.202 2.605 -4.219 1.00 0.00 H new ATOM 1284 N TYR A 89 88.061 1.039 -2.721 1.00 0.00 N ATOM 1285 CA TYR A 89 86.679 1.240 -2.295 1.00 0.00 C ATOM 1286 C TYR A 89 86.425 2.698 -1.927 1.00 0.00 C ATOM 1287 O TYR A 89 87.295 3.376 -1.380 1.00 0.00 O ATOM 1288 CB TYR A 89 86.379 0.344 -1.091 1.00 0.00 C ATOM 1289 CG TYR A 89 86.227 -1.088 -1.549 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.324 -1.766 -2.093 1.00 0.00 C ATOM 1291 CD2 TYR A 89 85.003 -1.750 -1.395 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.187 -3.090 -2.528 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.877 -3.087 -1.793 1.00 0.00 C ATOM 1294 CZ TYR A 89 85.965 -3.753 -2.369 1.00 0.00 C ATOM 1295 OH TYR A 89 85.851 -5.079 -2.732 1.00 0.00 O ATOM 0 H TYR A 89 88.752 1.205 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 89 86.022 0.978 -3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 89 87.184 0.419 -0.360 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.467 0.677 -0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.278 -1.267 -2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.157 -1.230 -0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 89 88.023 -3.598 -2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.939 -3.605 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 89 86.649 -5.351 -3.231 1.00 0.00 H new ATOM 1305 N TYR A 90 85.203 3.156 -2.187 1.00 0.00 N ATOM 1306 CA TYR A 90 84.806 4.527 -1.880 1.00 0.00 C ATOM 1307 C TYR A 90 83.342 4.564 -1.444 1.00 0.00 C ATOM 1308 O TYR A 90 82.548 3.732 -1.883 1.00 0.00 O ATOM 1309 CB TYR A 90 85.004 5.404 -3.120 1.00 0.00 C ATOM 1310 CG TYR A 90 86.324 5.082 -3.784 1.00 0.00 C ATOM 1311 CD1 TYR A 90 86.464 3.907 -4.535 1.00 0.00 C ATOM 1312 CD2 TYR A 90 87.357 6.027 -3.787 1.00 0.00 C ATOM 1313 CE1 TYR A 90 87.683 3.613 -5.158 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.566 5.750 -4.437 1.00 0.00 C ATOM 1315 CZ TYR A 90 88.733 4.539 -5.119 1.00 0.00 C ATOM 1316 OH TYR A 90 89.913 4.283 -5.787 1.00 0.00 O ATOM 0 H TYR A 90 84.466 2.593 -2.612 1.00 0.00 H new ATOM 0 HA TYR A 90 85.423 4.906 -1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.187 5.242 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.978 6.456 -2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 90 85.630 3.227 -4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.221 6.974 -3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 90 87.814 2.671 -5.669 1.00 0.00 H new ATOM 0 HE2 TYR A 90 89.370 6.471 -4.412 1.00 0.00 H new ATOM 0 HH TYR A 90 90.533 5.031 -5.655 1.00 0.00 H new ATOM 1326 N CYS A 91 82.983 5.503 -0.568 1.00 0.00 N ATOM 1327 CA CYS A 91 81.606 5.626 -0.090 1.00 0.00 C ATOM 1328 C CYS A 91 81.236 7.106 0.025 1.00 0.00 C ATOM 1329 O CYS A 91 82.061 7.931 0.416 1.00 0.00 O ATOM 1330 CB CYS A 91 81.425 4.812 1.214 1.00 0.00 C ATOM 1331 SG CYS A 91 81.679 5.681 2.796 1.00 0.00 S ATOM 0 H CYS A 91 83.627 6.190 -0.175 1.00 0.00 H new ATOM 0 HA CYS A 91 80.903 5.195 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 91 80.416 4.401 1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 91 82.113 3.968 1.181 1.00 0.00 H new ATOM 1336 N GLN A 92 80.005 7.451 -0.357 1.00 0.00 N ATOM 1337 CA GLN A 92 79.539 8.836 -0.304 1.00 0.00 C ATOM 1338 C GLN A 92 78.157 8.877 0.339 1.00 0.00 C ATOM 1339 O GLN A 92 77.405 7.907 0.263 1.00 0.00 O ATOM 1340 CB GLN A 92 79.433 9.463 -1.699 1.00 0.00 C ATOM 1341 CG GLN A 92 80.721 9.254 -2.500 1.00 0.00 C ATOM 1342 CD GLN A 92 80.659 10.049 -3.801 1.00 0.00 C ATOM 1343 OE1 GLN A 92 81.516 10.896 -4.054 1.00 0.00 O ATOM 1344 NE2 GLN A 92 79.679 9.844 -4.639 1.00 0.00 N ATOM 0 H GLN A 92 79.313 6.789 -0.707 1.00 0.00 H new ATOM 0 HA GLN A 92 80.267 9.402 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.593 9.023 -2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.228 10.530 -1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.581 9.571 -1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.856 8.194 -2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 92 78.968 9.143 -4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 92 79.624 10.385 -5.502 1.00 0.00 H new ATOM 1353 N SER A 93 77.851 9.971 1.031 1.00 0.00 N ATOM 1354 CA SER A 93 76.565 10.107 1.708 1.00 0.00 C ATOM 1355 C SER A 93 75.964 11.487 1.464 1.00 0.00 C ATOM 1356 O SER A 93 76.589 12.509 1.750 1.00 0.00 O ATOM 1357 CB SER A 93 76.752 9.896 3.211 1.00 0.00 C ATOM 1358 OG SER A 93 77.457 8.683 3.433 1.00 0.00 O ATOM 0 H SER A 93 78.473 10.773 1.137 1.00 0.00 H new ATOM 0 HA SER A 93 75.885 9.355 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 93 77.302 10.733 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 93 75.783 9.862 3.708 1.00 0.00 H new ATOM 0 HG SER A 93 78.207 8.847 4.042 1.00 0.00 H new ATOM 1364 N TYR A 94 74.722 11.506 0.990 1.00 0.00 N ATOM 1365 CA TYR A 94 74.019 12.762 0.767 1.00 0.00 C ATOM 1366 C TYR A 94 72.511 12.540 0.726 1.00 0.00 C ATOM 1367 O TYR A 94 72.022 11.654 0.026 1.00 0.00 O ATOM 1368 CB TYR A 94 74.493 13.390 -0.544 1.00 0.00 C ATOM 1369 CG TYR A 94 74.589 12.331 -1.616 1.00 0.00 C ATOM 1370 CD1 TYR A 94 73.449 11.972 -2.345 1.00 0.00 C ATOM 1371 CD2 TYR A 94 75.831 11.771 -1.938 1.00 0.00 C ATOM 1372 CE1 TYR A 94 73.536 10.992 -3.341 1.00 0.00 C ATOM 1373 CE2 TYR A 94 75.928 10.830 -2.970 1.00 0.00 C ATOM 1374 CZ TYR A 94 74.781 10.444 -3.673 1.00 0.00 C ATOM 1375 OH TYR A 94 74.863 9.468 -4.646 1.00 0.00 O ATOM 0 H TYR A 94 74.186 10.671 0.755 1.00 0.00 H new ATOM 0 HA TYR A 94 74.241 13.437 1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 94 73.800 14.172 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 94 75.464 13.863 -0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 94 72.503 12.451 -2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 94 76.714 12.065 -1.390 1.00 0.00 H new ATOM 0 HE1 TYR A 94 72.645 10.659 -3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 94 76.887 10.402 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 94 75.797 9.195 -4.757 1.00 0.00 H new ATOM 1482 N PHE A 102 81.802 13.049 0.742 1.00 0.00 N ATOM 1483 CA PHE A 102 82.465 11.956 0.037 1.00 0.00 C ATOM 1484 C PHE A 102 83.507 11.303 0.938 1.00 0.00 C ATOM 1485 O PHE A 102 84.214 11.986 1.680 1.00 0.00 O ATOM 1486 CB PHE A 102 83.118 12.486 -1.243 1.00 0.00 C ATOM 1487 CG PHE A 102 84.388 13.240 -0.922 1.00 0.00 C ATOM 1488 CD1 PHE A 102 84.319 14.492 -0.299 1.00 0.00 C ATOM 1489 CD2 PHE A 102 85.633 12.643 -1.155 1.00 0.00 C ATOM 1490 CE1 PHE A 102 85.496 15.185 0.006 1.00 0.00 C ATOM 1491 CE2 PHE A 102 86.810 13.338 -0.852 1.00 0.00 C ATOM 1492 CZ PHE A 102 86.742 14.610 -0.272 1.00 0.00 C ATOM 0 HA PHE A 102 81.724 11.203 -0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 102 83.341 11.656 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 102 82.423 13.141 -1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 102 83.359 14.922 -0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 102 85.685 11.647 -1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 102 85.443 16.165 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 102 87.770 12.893 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 102 87.649 15.147 -0.039 1.00 0.00 H new ATOM 1502 N GLY A 103 83.599 9.979 0.874 1.00 0.00 N ATOM 1503 CA GLY A 103 84.589 9.272 1.675 1.00 0.00 C ATOM 1504 C GLY A 103 84.665 7.806 1.266 1.00 0.00 C ATOM 1505 O GLY A 103 84.555 7.473 0.087 1.00 0.00 O ATOM 0 H GLY A 103 83.013 9.384 0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.566 9.740 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 103 84.331 9.347 2.731 1.00 0.00 H new ATOM 1509 N GLY A 104 84.904 6.950 2.253 1.00 0.00 N ATOM 1510 CA GLY A 104 84.996 5.516 2.014 1.00 0.00 C ATOM 1511 C GLY A 104 86.332 5.148 1.376 1.00 0.00 C ATOM 1512 O GLY A 104 86.517 4.029 0.896 1.00 0.00 O ATOM 0 H GLY A 104 85.037 7.225 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 104 84.880 4.979 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.180 5.200 1.364 1.00 0.00 H new ATOM 1516 N GLY A 105 87.266 6.093 1.387 1.00 0.00 N ATOM 1517 CA GLY A 105 88.588 5.849 0.824 1.00 0.00 C ATOM 1518 C GLY A 105 89.279 4.696 1.543 1.00 0.00 C ATOM 1519 O GLY A 105 89.831 4.869 2.629 1.00 0.00 O ATOM 0 H GLY A 105 87.134 7.027 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.499 5.620 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.195 6.751 0.906 1.00 0.00 H new ATOM 1523 N THR A 106 89.231 3.514 0.935 1.00 0.00 N ATOM 1524 CA THR A 106 89.856 2.326 1.508 1.00 0.00 C ATOM 1525 C THR A 106 90.473 1.470 0.406 1.00 0.00 C ATOM 1526 O THR A 106 89.917 1.343 -0.684 1.00 0.00 O ATOM 1527 CB THR A 106 88.815 1.513 2.283 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.484 2.202 3.479 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.371 0.133 2.645 1.00 0.00 C ATOM 0 H THR A 106 88.764 3.353 0.043 1.00 0.00 H new ATOM 0 HA THR A 106 90.646 2.638 2.191 1.00 0.00 H new ATOM 0 HB THR A 106 87.931 1.387 1.658 1.00 0.00 H new ATOM 0 HG1 THR A 106 87.752 2.830 3.303 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.617 -0.430 3.195 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.632 -0.405 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.260 0.250 3.264 1.00 0.00 H new ATOM 1537 N LYS A 107 91.634 0.893 0.700 1.00 0.00 N ATOM 1538 CA LYS A 107 92.337 0.036 -0.249 1.00 0.00 C ATOM 1539 C LYS A 107 92.213 -1.426 0.168 1.00 0.00 C ATOM 1540 O LYS A 107 92.638 -1.806 1.259 1.00 0.00 O ATOM 1541 CB LYS A 107 93.816 0.422 -0.294 1.00 0.00 C ATOM 1542 CG LYS A 107 93.955 1.940 -0.436 1.00 0.00 C ATOM 1543 CD LYS A 107 95.436 2.319 -0.371 1.00 0.00 C ATOM 1544 CE LYS A 107 95.574 3.840 -0.282 1.00 0.00 C ATOM 1545 NZ LYS A 107 95.166 4.456 -1.577 1.00 0.00 N ATOM 0 H LYS A 107 92.111 1.005 1.595 1.00 0.00 H new ATOM 0 HA LYS A 107 91.891 0.167 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.316 0.086 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.305 -0.076 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 107 93.524 2.270 -1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.403 2.443 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 107 95.904 1.850 0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 107 95.956 1.948 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 107 94.953 4.225 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 107 96.604 4.109 -0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 95.387 5.472 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 95.682 4.000 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 94.144 4.326 -1.716 1.00 0.00 H new ATOM 1559 N LEU A 108 91.612 -2.242 -0.693 1.00 0.00 N ATOM 1560 CA LEU A 108 91.453 -3.665 -0.414 1.00 0.00 C ATOM 1561 C LEU A 108 92.455 -4.478 -1.227 1.00 0.00 C ATOM 1562 O LEU A 108 92.449 -4.433 -2.457 1.00 0.00 O ATOM 1563 CB LEU A 108 90.032 -4.102 -0.781 1.00 0.00 C ATOM 1564 CG LEU A 108 89.759 -5.527 -0.288 1.00 0.00 C ATOM 1565 CD1 LEU A 108 89.707 -5.573 1.242 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.427 -6.009 -0.870 1.00 0.00 C ATOM 0 H LEU A 108 91.227 -1.942 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 108 91.631 -3.838 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.310 -3.415 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.899 -4.054 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 108 90.567 -6.179 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.512 -6.594 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.661 -5.238 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 108 88.911 -4.920 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.224 -7.023 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.626 -5.347 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.481 -6.001 -1.959 1.00 0.00 H new ATOM 1578 N THR A 109 93.278 -5.262 -0.536 1.00 0.00 N ATOM 1579 CA THR A 109 94.265 -6.111 -1.195 1.00 0.00 C ATOM 1580 C THR A 109 93.966 -7.578 -0.901 1.00 0.00 C ATOM 1581 O THR A 109 94.182 -8.054 0.214 1.00 0.00 O ATOM 1582 CB THR A 109 95.668 -5.749 -0.697 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.722 -4.356 -0.426 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.715 -6.098 -1.758 1.00 0.00 C ATOM 0 H THR A 109 93.281 -5.327 0.482 1.00 0.00 H new ATOM 0 HA THR A 109 94.217 -5.952 -2.272 1.00 0.00 H new ATOM 0 HB THR A 109 95.880 -6.315 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.617 -4.120 -0.105 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.707 -5.835 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.677 -7.167 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.507 -5.541 -2.671 1.00 0.00 H new ATOM 1592 N VAL A 110 93.555 -8.310 -1.931 1.00 0.00 N ATOM 1593 CA VAL A 110 93.221 -9.720 -1.768 1.00 0.00 C ATOM 1594 C VAL A 110 94.492 -10.561 -1.822 1.00 0.00 C ATOM 1595 O VAL A 110 94.492 -11.677 -2.339 1.00 0.00 O ATOM 1596 CB VAL A 110 92.244 -10.171 -2.861 1.00 0.00 C ATOM 1597 CG1 VAL A 110 91.836 -11.635 -2.644 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.005 -9.270 -2.843 1.00 0.00 C ATOM 0 H VAL A 110 93.446 -7.954 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 110 92.741 -9.857 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 110 92.734 -10.091 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.143 -11.939 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 110 92.722 -12.269 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.353 -11.738 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.311 -9.591 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.518 -9.340 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.303 -8.238 -3.026 1.00 0.00 H new ATOM 1608 N LEU A 111 95.594 -9.983 -1.354 1.00 0.00 N ATOM 1609 CA LEU A 111 96.879 -10.673 -1.365 1.00 0.00 C ATOM 1610 C LEU A 111 97.074 -11.444 -2.667 1.00 0.00 C ATOM 1611 O LEU A 111 97.047 -12.663 -2.620 1.00 0.00 O ATOM 1612 CB LEU A 111 96.957 -11.631 -0.172 1.00 0.00 C ATOM 1613 CG LEU A 111 97.249 -10.857 1.119 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.700 -11.625 2.324 1.00 0.00 C ATOM 1615 CD2 LEU A 111 98.759 -10.680 1.306 1.00 0.00 C ATOM 1616 OXT LEU A 111 97.213 -10.804 -3.697 1.00 0.00 O ATOM 0 H LEU A 111 95.623 -9.041 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 111 97.673 -9.930 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 111 96.018 -12.175 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.738 -12.372 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 111 96.770 -9.880 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.911 -11.069 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.622 -11.749 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 111 97.175 -12.605 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 111 98.949 -10.129 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 111 99.236 -11.659 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.168 -10.127 0.461 1.00 0.00 H new