USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 760 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 35 TYR OH : rot 22:sc= 0.0502 USER MOD Set 1.2: A 56 GLN : amide:sc= -0.134 K(o=-0.084,f=-0.75) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -177:sc=-0.00856 (180deg=-0.0265) USER MOD Set 2.2: A 80 THR OG1 : rot -99:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.279 (180deg=0.0184) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -96:sc= 0.44 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.179 K(o=-0.18,f=-3.8!) USER MOD Single : A 17 MET CE :methyl 153:sc= -1.06 (180deg=-1.44) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.239 F(o=-0.83,f=-0.24) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 68:sc= 1 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.55 K(o=-1.5,f=-8.8!) USER MOD Single : A 77 MET CE :methyl -120:sc= -2.78! (180deg=-4.41!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.139 USER MOD Single : A 82 SER OG : rot 180:sc=0.000425 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.4!) USER MOD Single : B 101 SER OG : rot 23:sc= 0.551 USER MOD Single : B 102 THR OG1 : rot 180:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.570 3.860 -21.263 1.00 0.00 N ATOM 2 CA MET A 1 -6.324 4.491 -20.146 1.00 0.00 C ATOM 3 C MET A 1 -5.459 5.507 -19.403 1.00 0.00 C ATOM 4 O MET A 1 -4.456 5.146 -18.786 1.00 0.00 O ATOM 5 CB MET A 1 -6.792 3.391 -19.185 1.00 0.00 C ATOM 6 CG MET A 1 -7.976 2.589 -19.703 1.00 0.00 C ATOM 7 SD MET A 1 -7.475 1.087 -20.567 1.00 0.00 S ATOM 8 CE MET A 1 -9.066 0.453 -21.093 1.00 0.00 C ATOM 0 H1 MET A 1 -5.898 2.882 -21.395 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.729 4.399 -22.138 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.555 3.857 -21.038 1.00 0.00 H new ATOM 0 HA MET A 1 -7.184 5.024 -20.552 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.961 2.712 -18.992 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.061 3.845 -18.231 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.623 2.324 -18.867 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.564 3.212 -20.377 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.923 -0.477 -21.643 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.690 0.266 -20.219 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.554 1.184 -21.737 1.00 0.00 H new ATOM 20 N LYS A 2 -5.855 6.778 -19.464 1.00 0.00 N ATOM 21 CA LYS A 2 -5.116 7.845 -18.791 1.00 0.00 C ATOM 22 C LYS A 2 -5.817 8.274 -17.496 1.00 0.00 C ATOM 23 O LYS A 2 -5.650 9.405 -17.038 1.00 0.00 O ATOM 24 CB LYS A 2 -4.950 9.051 -19.728 1.00 0.00 C ATOM 25 CG LYS A 2 -3.573 9.694 -19.654 1.00 0.00 C ATOM 26 CD LYS A 2 -3.526 11.007 -20.421 1.00 0.00 C ATOM 27 CE LYS A 2 -2.120 11.588 -20.452 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.811 12.237 -21.757 1.00 0.00 N ATOM 0 H LYS A 2 -6.682 7.093 -19.972 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.131 7.459 -18.530 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.139 8.733 -20.753 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.705 9.798 -19.482 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.309 9.871 -18.611 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.829 9.009 -20.059 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.876 10.846 -21.441 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.206 11.723 -19.960 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.012 12.318 -19.650 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.396 10.796 -20.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.844 12.619 -21.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.888 11.535 -22.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.485 13.011 -21.928 1.00 0.00 H new ATOM 42 N GLU A 3 -6.596 7.361 -16.905 1.00 0.00 N ATOM 43 CA GLU A 3 -7.314 7.647 -15.665 1.00 0.00 C ATOM 44 C GLU A 3 -7.566 6.366 -14.869 1.00 0.00 C ATOM 45 O GLU A 3 -8.602 5.717 -15.036 1.00 0.00 O ATOM 46 CB GLU A 3 -8.646 8.340 -15.968 1.00 0.00 C ATOM 47 CG GLU A 3 -8.573 9.857 -15.913 1.00 0.00 C ATOM 48 CD GLU A 3 -9.915 10.512 -16.173 1.00 0.00 C ATOM 49 OE1 GLU A 3 -10.288 10.652 -17.357 1.00 0.00 O ATOM 50 OE2 GLU A 3 -10.594 10.885 -15.193 1.00 0.00 O ATOM 0 H GLU A 3 -6.743 6.419 -17.268 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.693 8.311 -15.064 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.986 8.037 -16.959 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.395 7.995 -15.255 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.206 10.165 -14.934 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.851 10.210 -16.650 1.00 0.00 H new ATOM 57 N PRO A 4 -6.613 5.978 -13.994 1.00 0.00 N ATOM 58 CA PRO A 4 -6.729 4.763 -13.168 1.00 0.00 C ATOM 59 C PRO A 4 -7.912 4.816 -12.195 1.00 0.00 C ATOM 60 O PRO A 4 -8.743 5.724 -12.260 1.00 0.00 O ATOM 61 CB PRO A 4 -5.399 4.718 -12.397 1.00 0.00 C ATOM 62 CG PRO A 4 -4.477 5.606 -13.161 1.00 0.00 C ATOM 63 CD PRO A 4 -5.344 6.682 -13.745 1.00 0.00 C ATOM 0 HA PRO A 4 -6.912 3.880 -13.781 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.525 5.068 -11.373 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.010 3.701 -12.340 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.712 6.029 -12.510 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.959 5.052 -13.944 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.473 7.516 -13.056 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.920 7.089 -14.663 1.00 0.00 H new ATOM 71 N GLU A 5 -7.982 3.833 -11.294 1.00 0.00 N ATOM 72 CA GLU A 5 -9.061 3.762 -10.313 1.00 0.00 C ATOM 73 C GLU A 5 -8.523 3.901 -8.894 1.00 0.00 C ATOM 74 O GLU A 5 -8.232 2.910 -8.221 1.00 0.00 O ATOM 75 CB GLU A 5 -9.827 2.449 -10.458 1.00 0.00 C ATOM 76 CG GLU A 5 -11.111 2.397 -9.641 1.00 0.00 C ATOM 77 CD GLU A 5 -11.796 1.044 -9.706 1.00 0.00 C ATOM 78 OE1 GLU A 5 -11.971 0.517 -10.825 1.00 0.00 O ATOM 79 OE2 GLU A 5 -12.160 0.512 -8.636 1.00 0.00 O ATOM 0 H GLU A 5 -7.302 3.076 -11.226 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.742 4.592 -10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.069 2.294 -11.509 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.180 1.626 -10.155 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.885 2.635 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.797 3.164 -10.001 1.00 0.00 H new ATOM 86 N ILE A 6 -8.405 5.141 -8.448 1.00 0.00 N ATOM 87 CA ILE A 6 -7.913 5.439 -7.107 1.00 0.00 C ATOM 88 C ILE A 6 -9.050 5.362 -6.087 1.00 0.00 C ATOM 89 O ILE A 6 -10.081 6.019 -6.248 1.00 0.00 O ATOM 90 CB ILE A 6 -7.267 6.840 -7.052 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.195 6.982 -8.139 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.673 7.108 -5.673 1.00 0.00 C ATOM 93 CD1 ILE A 6 -5.066 5.978 -8.023 1.00 0.00 C ATOM 0 H ILE A 6 -8.645 5.966 -8.998 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.157 4.694 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.044 7.581 -7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.666 6.873 -9.116 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.779 7.989 -8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.223 8.101 -5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.460 7.054 -4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.910 6.361 -5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.349 6.143 -8.827 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.568 6.100 -7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.468 4.968 -8.097 1.00 0.00 H new ATOM 105 N ILE A 7 -8.857 4.556 -5.041 1.00 0.00 N ATOM 106 CA ILE A 7 -9.870 4.394 -3.998 1.00 0.00 C ATOM 107 C ILE A 7 -9.228 4.316 -2.615 1.00 0.00 C ATOM 108 O ILE A 7 -8.207 3.652 -2.429 1.00 0.00 O ATOM 109 CB ILE A 7 -10.734 3.129 -4.220 1.00 0.00 C ATOM 110 CG1 ILE A 7 -9.850 1.884 -4.348 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.622 3.288 -5.447 1.00 0.00 C ATOM 112 CD1 ILE A 7 -10.050 0.888 -3.227 1.00 0.00 C ATOM 0 H ILE A 7 -8.010 4.007 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.513 5.272 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.378 3.002 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.059 1.395 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.804 2.191 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.220 2.387 -5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.282 4.144 -5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.000 3.447 -6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.394 0.031 -3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.813 1.361 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.087 0.553 -3.218 1.00 0.00 H new ATOM 124 N THR A 8 -9.837 4.999 -1.648 1.00 0.00 N ATOM 125 CA THR A 8 -9.329 5.009 -0.279 1.00 0.00 C ATOM 126 C THR A 8 -10.190 4.131 0.628 1.00 0.00 C ATOM 127 O THR A 8 -11.355 4.441 0.886 1.00 0.00 O ATOM 128 CB THR A 8 -9.286 6.441 0.265 1.00 0.00 C ATOM 129 OG1 THR A 8 -9.008 7.367 -0.773 1.00 0.00 O ATOM 130 CG2 THR A 8 -8.248 6.639 1.351 1.00 0.00 C ATOM 0 H THR A 8 -10.682 5.552 -1.788 1.00 0.00 H new ATOM 0 HA THR A 8 -8.317 4.605 -0.292 1.00 0.00 H new ATOM 0 HB THR A 8 -10.273 6.616 0.693 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.048 7.565 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.271 7.674 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.467 5.977 2.189 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.259 6.409 0.955 1.00 0.00 H new ATOM 138 N VAL A 9 -9.606 3.034 1.109 1.00 0.00 N ATOM 139 CA VAL A 9 -10.314 2.107 1.990 1.00 0.00 C ATOM 140 C VAL A 9 -9.929 2.331 3.449 1.00 0.00 C ATOM 141 O VAL A 9 -8.821 2.782 3.748 1.00 0.00 O ATOM 142 CB VAL A 9 -10.031 0.635 1.617 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.611 0.308 0.249 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.537 0.340 1.660 1.00 0.00 C ATOM 0 H VAL A 9 -8.644 2.766 0.903 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.378 2.306 1.860 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.519 -0.003 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.401 -0.733 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.689 0.467 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.159 0.955 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.364 -0.703 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.018 0.986 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.158 0.525 2.665 1.00 0.00 H new ATOM 154 N THR A 10 -10.852 2.011 4.354 1.00 0.00 N ATOM 155 CA THR A 10 -10.612 2.173 5.786 1.00 0.00 C ATOM 156 C THR A 10 -10.923 0.878 6.538 1.00 0.00 C ATOM 157 O THR A 10 -12.054 0.390 6.507 1.00 0.00 O ATOM 158 CB THR A 10 -11.461 3.322 6.344 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.665 4.328 5.363 1.00 0.00 O ATOM 160 CG2 THR A 10 -10.844 3.985 7.557 1.00 0.00 C ATOM 0 H THR A 10 -11.772 1.638 4.121 1.00 0.00 H new ATOM 0 HA THR A 10 -9.558 2.411 5.929 1.00 0.00 H new ATOM 0 HB THR A 10 -12.405 2.863 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.210 5.049 5.742 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.494 4.789 7.902 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.723 3.249 8.352 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.870 4.395 7.291 1.00 0.00 H new ATOM 168 N LEU A 11 -9.910 0.328 7.209 1.00 0.00 N ATOM 169 CA LEU A 11 -10.069 -0.912 7.970 1.00 0.00 C ATOM 170 C LEU A 11 -9.452 -0.781 9.364 1.00 0.00 C ATOM 171 O LEU A 11 -8.645 0.115 9.611 1.00 0.00 O ATOM 172 CB LEU A 11 -9.417 -2.082 7.223 1.00 0.00 C ATOM 173 CG LEU A 11 -9.896 -2.281 5.780 1.00 0.00 C ATOM 174 CD1 LEU A 11 -8.728 -2.636 4.871 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.970 -3.359 5.716 1.00 0.00 C ATOM 0 H LEU A 11 -8.970 0.722 7.241 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.136 -1.106 8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.338 -1.930 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.605 -2.999 7.781 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.329 -1.343 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.089 -2.773 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.994 -1.831 4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.264 -3.559 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.297 -3.486 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.563 -4.300 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.819 -3.064 6.332 1.00 0.00 H new ATOM 187 N LYS A 12 -9.834 -1.682 10.269 1.00 0.00 N ATOM 188 CA LYS A 12 -9.313 -1.668 11.634 1.00 0.00 C ATOM 189 C LYS A 12 -8.387 -2.858 11.871 1.00 0.00 C ATOM 190 O LYS A 12 -8.675 -3.976 11.437 1.00 0.00 O ATOM 191 CB LYS A 12 -10.463 -1.688 12.646 1.00 0.00 C ATOM 192 CG LYS A 12 -10.908 -0.302 13.093 1.00 0.00 C ATOM 193 CD LYS A 12 -11.512 -0.328 14.491 1.00 0.00 C ATOM 194 CE LYS A 12 -12.894 -0.968 14.493 1.00 0.00 C ATOM 195 NZ LYS A 12 -13.194 -1.658 15.780 1.00 0.00 N ATOM 0 H LYS A 12 -10.502 -2.430 10.081 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.740 -0.750 11.769 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.313 -2.209 12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.156 -2.261 13.521 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.055 0.377 13.078 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.640 0.090 12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.854 -0.880 15.162 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.581 0.689 14.877 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.647 -0.202 14.309 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.962 -1.684 13.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.144 -2.078 15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.491 -2.407 15.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.156 -0.971 16.560 1.00 0.00 H new ATOM 209 N LYS A 13 -7.271 -2.609 12.556 1.00 0.00 N ATOM 210 CA LYS A 13 -6.295 -3.659 12.847 1.00 0.00 C ATOM 211 C LYS A 13 -6.887 -4.724 13.765 1.00 0.00 C ATOM 212 O LYS A 13 -7.318 -4.426 14.880 1.00 0.00 O ATOM 213 CB LYS A 13 -5.042 -3.061 13.492 1.00 0.00 C ATOM 214 CG LYS A 13 -4.144 -2.326 12.510 1.00 0.00 C ATOM 215 CD LYS A 13 -2.886 -1.803 13.187 1.00 0.00 C ATOM 216 CE LYS A 13 -2.148 -0.808 12.304 1.00 0.00 C ATOM 217 NZ LYS A 13 -0.681 -0.806 12.568 1.00 0.00 N ATOM 0 H LYS A 13 -7.020 -1.690 12.920 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.023 -4.130 11.902 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.343 -2.372 14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.471 -3.859 13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.868 -2.996 11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.692 -1.495 12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.151 -1.326 14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.227 -2.638 13.426 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.327 -1.051 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.548 0.192 12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.224 -0.079 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.509 -0.599 13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.285 -1.739 12.334 1.00 0.00 H new ATOM 231 N GLN A 14 -6.894 -5.969 13.290 1.00 0.00 N ATOM 232 CA GLN A 14 -7.423 -7.087 14.069 1.00 0.00 C ATOM 233 C GLN A 14 -6.306 -7.773 14.855 1.00 0.00 C ATOM 234 O GLN A 14 -6.423 -7.983 16.063 1.00 0.00 O ATOM 235 CB GLN A 14 -8.115 -8.100 13.150 1.00 0.00 C ATOM 236 CG GLN A 14 -9.377 -8.702 13.750 1.00 0.00 C ATOM 237 CD GLN A 14 -10.494 -8.852 12.735 1.00 0.00 C ATOM 238 OE1 GLN A 14 -10.985 -9.955 12.493 1.00 0.00 O ATOM 239 NE2 GLN A 14 -10.903 -7.741 12.131 1.00 0.00 N ATOM 0 H GLN A 14 -6.539 -6.228 12.370 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.155 -6.693 14.774 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.367 -7.611 12.209 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.416 -8.902 12.915 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.143 -9.679 14.173 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.720 -8.073 14.571 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.470 -6.847 12.360 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.650 -7.783 11.438 1.00 0.00 H new ATOM 248 N ASN A 15 -5.224 -8.118 14.156 1.00 0.00 N ATOM 249 CA ASN A 15 -4.075 -8.780 14.776 1.00 0.00 C ATOM 250 C ASN A 15 -2.852 -8.724 13.854 1.00 0.00 C ATOM 251 O ASN A 15 -2.116 -9.704 13.718 1.00 0.00 O ATOM 252 CB ASN A 15 -4.421 -10.238 15.117 1.00 0.00 C ATOM 253 CG ASN A 15 -4.781 -11.062 13.891 1.00 0.00 C ATOM 254 OD1 ASN A 15 -5.705 -10.724 13.152 1.00 0.00 O ATOM 255 ND2 ASN A 15 -4.054 -12.153 13.670 1.00 0.00 N ATOM 0 H ASN A 15 -5.119 -7.949 13.156 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.832 -8.252 15.698 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.572 -10.699 15.622 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.256 -10.254 15.817 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.254 -12.744 12.863 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.296 -12.398 14.307 1.00 0.00 H new ATOM 262 N GLY A 16 -2.646 -7.568 13.216 1.00 0.00 N ATOM 263 CA GLY A 16 -1.523 -7.401 12.308 1.00 0.00 C ATOM 264 C GLY A 16 -1.953 -7.439 10.853 1.00 0.00 C ATOM 265 O GLY A 16 -2.904 -8.141 10.501 1.00 0.00 O ATOM 0 H GLY A 16 -3.240 -6.745 13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.029 -6.452 12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.791 -8.188 12.490 1.00 0.00 H new ATOM 269 N MET A 17 -1.256 -6.680 10.006 1.00 0.00 N ATOM 270 CA MET A 17 -1.573 -6.628 8.579 1.00 0.00 C ATOM 271 C MET A 17 -1.253 -7.961 7.902 1.00 0.00 C ATOM 272 O MET A 17 -2.159 -8.678 7.476 1.00 0.00 O ATOM 273 CB MET A 17 -0.803 -5.488 7.898 1.00 0.00 C ATOM 274 CG MET A 17 -1.309 -4.100 8.269 1.00 0.00 C ATOM 275 SD MET A 17 -2.172 -3.282 6.912 1.00 0.00 S ATOM 276 CE MET A 17 -0.814 -2.438 6.103 1.00 0.00 C ATOM 0 H MET A 17 -0.469 -6.093 10.284 1.00 0.00 H new ATOM 0 HA MET A 17 -2.641 -6.438 8.476 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.251 -5.564 8.164 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.869 -5.612 6.817 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.980 -4.180 9.124 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.466 -3.483 8.582 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.048 -2.301 5.047 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.660 -1.465 6.570 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.094 -3.034 6.199 1.00 0.00 H new ATOM 286 N GLY A 18 0.038 -8.291 7.813 1.00 0.00 N ATOM 287 CA GLY A 18 0.447 -9.540 7.194 1.00 0.00 C ATOM 288 C GLY A 18 0.295 -9.527 5.683 1.00 0.00 C ATOM 289 O GLY A 18 -0.661 -10.083 5.145 1.00 0.00 O ATOM 0 H GLY A 18 0.805 -7.714 8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.488 -9.742 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.146 -10.356 7.607 1.00 0.00 H new ATOM 293 N LEU A 19 1.245 -8.890 4.998 1.00 0.00 N ATOM 294 CA LEU A 19 1.228 -8.811 3.534 1.00 0.00 C ATOM 295 C LEU A 19 2.619 -8.472 2.990 1.00 0.00 C ATOM 296 O LEU A 19 3.568 -8.307 3.758 1.00 0.00 O ATOM 297 CB LEU A 19 0.195 -7.782 3.058 1.00 0.00 C ATOM 298 CG LEU A 19 0.464 -6.340 3.484 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.241 -5.605 2.399 1.00 0.00 C ATOM 300 CD2 LEU A 19 -0.840 -5.620 3.791 1.00 0.00 C ATOM 0 H LEU A 19 2.039 -8.420 5.433 1.00 0.00 H new ATOM 0 HA LEU A 19 0.941 -9.788 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.145 -7.818 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.786 -8.077 3.432 1.00 0.00 H new ATOM 0 HG LEU A 19 1.066 -6.354 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.426 -4.579 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.192 -6.109 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.662 -5.601 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.627 -4.594 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.470 -5.613 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.359 -6.136 4.599 1.00 0.00 H new ATOM 312 N SER A 20 2.738 -8.382 1.665 1.00 0.00 N ATOM 313 CA SER A 20 4.020 -8.078 1.027 1.00 0.00 C ATOM 314 C SER A 20 3.895 -6.927 0.030 1.00 0.00 C ATOM 315 O SER A 20 2.900 -6.824 -0.692 1.00 0.00 O ATOM 316 CB SER A 20 4.557 -9.324 0.317 1.00 0.00 C ATOM 317 OG SER A 20 5.037 -10.277 1.250 1.00 0.00 O ATOM 0 H SER A 20 1.964 -8.515 1.014 1.00 0.00 H new ATOM 0 HA SER A 20 4.716 -7.771 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.768 -9.769 -0.289 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.360 -9.041 -0.364 1.00 0.00 H new ATOM 0 HG SER A 20 5.373 -11.063 0.771 1.00 0.00 H new ATOM 323 N ILE A 21 4.918 -6.065 -0.010 1.00 0.00 N ATOM 324 CA ILE A 21 4.925 -4.922 -0.925 1.00 0.00 C ATOM 325 C ILE A 21 6.294 -4.726 -1.579 1.00 0.00 C ATOM 326 O ILE A 21 7.322 -5.129 -1.029 1.00 0.00 O ATOM 327 CB ILE A 21 4.518 -3.612 -0.215 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.395 -3.361 1.018 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.048 -3.660 0.174 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.708 -2.679 0.700 1.00 0.00 C ATOM 0 H ILE A 21 5.748 -6.138 0.579 1.00 0.00 H new ATOM 0 HA ILE A 21 4.190 -5.152 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 21 4.669 -2.785 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.840 -2.749 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.599 -4.313 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.773 -2.731 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.439 -3.785 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.877 -4.499 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.275 -2.534 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.283 -3.300 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.513 -1.711 0.238 1.00 0.00 H new ATOM 342 N VAL A 22 6.292 -4.101 -2.758 1.00 0.00 N ATOM 343 CA VAL A 22 7.522 -3.842 -3.504 1.00 0.00 C ATOM 344 C VAL A 22 7.465 -2.480 -4.199 1.00 0.00 C ATOM 345 O VAL A 22 6.460 -2.132 -4.820 1.00 0.00 O ATOM 346 CB VAL A 22 7.775 -4.936 -4.566 1.00 0.00 C ATOM 347 CG1 VAL A 22 9.088 -4.698 -5.300 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.759 -6.318 -3.930 1.00 0.00 C ATOM 0 H VAL A 22 5.446 -3.764 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 22 8.339 -3.848 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 22 6.968 -4.884 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.238 -5.484 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.055 -3.730 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.911 -4.710 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.939 -7.073 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.539 -6.378 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.788 -6.495 -3.468 1.00 0.00 H new ATOM 358 N ALA A 23 8.556 -1.723 -4.099 1.00 0.00 N ATOM 359 CA ALA A 23 8.641 -0.404 -4.726 1.00 0.00 C ATOM 360 C ALA A 23 9.281 -0.502 -6.110 1.00 0.00 C ATOM 361 O ALA A 23 10.152 -1.344 -6.338 1.00 0.00 O ATOM 362 CB ALA A 23 9.426 0.555 -3.842 1.00 0.00 C ATOM 0 H ALA A 23 9.395 -2.000 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 23 7.629 -0.016 -4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.480 1.532 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.927 0.652 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.434 0.169 -3.691 1.00 0.00 H new ATOM 368 N ALA A 24 8.842 0.356 -7.034 1.00 0.00 N ATOM 369 CA ALA A 24 9.375 0.350 -8.396 1.00 0.00 C ATOM 370 C ALA A 24 9.344 1.743 -9.028 1.00 0.00 C ATOM 371 O ALA A 24 8.572 2.609 -8.612 1.00 0.00 O ATOM 372 CB ALA A 24 8.593 -0.635 -9.255 1.00 0.00 C ATOM 0 H ALA A 24 8.123 1.059 -6.864 1.00 0.00 H new ATOM 0 HA ALA A 24 10.418 0.039 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.996 -0.634 -10.268 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.679 -1.636 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.544 -0.341 -9.281 1.00 0.00 H new ATOM 378 N LYS A 25 10.191 1.943 -10.042 1.00 0.00 N ATOM 379 CA LYS A 25 10.271 3.222 -10.750 1.00 0.00 C ATOM 380 C LYS A 25 9.907 3.051 -12.227 1.00 0.00 C ATOM 381 O LYS A 25 9.621 1.940 -12.678 1.00 0.00 O ATOM 382 CB LYS A 25 11.681 3.812 -10.623 1.00 0.00 C ATOM 383 CG LYS A 25 11.696 5.269 -10.186 1.00 0.00 C ATOM 384 CD LYS A 25 13.093 5.867 -10.270 1.00 0.00 C ATOM 385 CE LYS A 25 13.441 6.654 -9.014 1.00 0.00 C ATOM 386 NZ LYS A 25 14.315 5.878 -8.088 1.00 0.00 N ATOM 0 H LYS A 25 10.833 1.232 -10.391 1.00 0.00 H new ATOM 0 HA LYS A 25 9.556 3.907 -10.295 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.250 3.221 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.190 3.724 -11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.015 5.844 -10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.328 5.346 -9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.823 5.070 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.158 6.521 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.943 7.580 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.523 6.933 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.526 6.452 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.827 5.007 -7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.202 5.633 -8.572 1.00 0.00 H new ATOM 400 N GLY A 26 9.926 4.154 -12.979 1.00 0.00 N ATOM 401 CA GLY A 26 9.602 4.097 -14.392 1.00 0.00 C ATOM 402 C GLY A 26 10.073 5.328 -15.133 1.00 0.00 C ATOM 403 O GLY A 26 11.131 5.880 -14.819 1.00 0.00 O ATOM 0 H GLY A 26 10.160 5.084 -12.631 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.060 3.212 -14.833 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.524 3.992 -14.512 1.00 0.00 H new ATOM 407 N ALA A 27 9.289 5.769 -16.110 1.00 0.00 N ATOM 408 CA ALA A 27 9.638 6.953 -16.881 1.00 0.00 C ATOM 409 C ALA A 27 8.705 8.112 -16.549 1.00 0.00 C ATOM 410 O ALA A 27 7.549 7.899 -16.175 1.00 0.00 O ATOM 411 CB ALA A 27 9.614 6.654 -18.374 1.00 0.00 C ATOM 0 H ALA A 27 8.412 5.326 -16.385 1.00 0.00 H new ATOM 0 HA ALA A 27 10.652 7.245 -16.609 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.878 7.554 -18.930 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.332 5.865 -18.599 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.615 6.329 -18.664 1.00 0.00 H new ATOM 417 N GLY A 28 9.219 9.338 -16.669 1.00 0.00 N ATOM 418 CA GLY A 28 8.420 10.513 -16.354 1.00 0.00 C ATOM 419 C GLY A 28 7.930 10.484 -14.917 1.00 0.00 C ATOM 420 O GLY A 28 6.870 11.025 -14.599 1.00 0.00 O ATOM 0 H GLY A 28 10.171 9.537 -16.978 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.013 11.412 -16.519 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.566 10.566 -17.030 1.00 0.00 H new ATOM 424 N GLN A 29 8.706 9.827 -14.053 1.00 0.00 N ATOM 425 CA GLN A 29 8.359 9.694 -12.648 1.00 0.00 C ATOM 426 C GLN A 29 9.616 9.687 -11.784 1.00 0.00 C ATOM 427 O GLN A 29 10.363 8.706 -11.764 1.00 0.00 O ATOM 428 CB GLN A 29 7.537 8.419 -12.440 1.00 0.00 C ATOM 429 CG GLN A 29 6.862 8.350 -11.080 1.00 0.00 C ATOM 430 CD GLN A 29 7.462 7.296 -10.166 1.00 0.00 C ATOM 431 OE1 GLN A 29 8.740 6.987 -10.356 1.00 0.00 O flip ATOM 432 NE2 GLN A 29 6.781 6.769 -9.287 1.00 0.00 N flip ATOM 0 H GLN A 29 9.585 9.377 -14.310 1.00 0.00 H new ATOM 0 HA GLN A 29 7.756 10.550 -12.345 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.777 8.355 -13.218 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.188 7.553 -12.558 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.934 9.324 -10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.801 8.140 -11.218 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.802 7.033 -9.173 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.195 6.068 -8.673 1.00 0.00 H new ATOM 441 N ASP A 30 9.839 10.793 -11.075 1.00 0.00 N ATOM 442 CA ASP A 30 11.002 10.936 -10.205 1.00 0.00 C ATOM 443 C ASP A 30 10.641 10.617 -8.753 1.00 0.00 C ATOM 444 O ASP A 30 11.111 11.276 -7.823 1.00 0.00 O ATOM 445 CB ASP A 30 11.570 12.356 -10.317 1.00 0.00 C ATOM 446 CG ASP A 30 12.973 12.468 -9.754 1.00 0.00 C ATOM 447 OD1 ASP A 30 13.859 11.715 -10.209 1.00 0.00 O ATOM 448 OD2 ASP A 30 13.187 13.312 -8.857 1.00 0.00 O ATOM 0 H ASP A 30 9.224 11.607 -11.088 1.00 0.00 H new ATOM 0 HA ASP A 30 11.763 10.225 -10.526 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.577 12.659 -11.364 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.914 13.048 -9.789 1.00 0.00 H new ATOM 453 N LYS A 31 9.805 9.596 -8.571 1.00 0.00 N ATOM 454 CA LYS A 31 9.375 9.171 -7.243 1.00 0.00 C ATOM 455 C LYS A 31 9.389 7.643 -7.145 1.00 0.00 C ATOM 456 O LYS A 31 10.060 6.975 -7.936 1.00 0.00 O ATOM 457 CB LYS A 31 7.971 9.712 -6.940 1.00 0.00 C ATOM 458 CG LYS A 31 7.795 11.189 -7.261 1.00 0.00 C ATOM 459 CD LYS A 31 8.495 12.076 -6.240 1.00 0.00 C ATOM 460 CE LYS A 31 8.258 13.552 -6.528 1.00 0.00 C ATOM 461 NZ LYS A 31 9.109 14.047 -7.647 1.00 0.00 N ATOM 0 H LYS A 31 9.410 9.045 -9.334 1.00 0.00 H new ATOM 0 HA LYS A 31 10.069 9.574 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.241 9.137 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.751 9.551 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.192 11.395 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.733 11.432 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.133 11.837 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.565 11.869 -6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.208 13.709 -6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.465 14.134 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.916 15.056 -7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.112 13.921 -7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.894 13.510 -8.511 1.00 0.00 H new ATOM 475 N LEU A 32 8.651 7.091 -6.179 1.00 0.00 N ATOM 476 CA LEU A 32 8.588 5.643 -5.997 1.00 0.00 C ATOM 477 C LEU A 32 7.208 5.220 -5.499 1.00 0.00 C ATOM 478 O LEU A 32 6.714 5.748 -4.500 1.00 0.00 O ATOM 479 CB LEU A 32 9.670 5.180 -5.016 1.00 0.00 C ATOM 480 CG LEU A 32 10.521 4.000 -5.496 1.00 0.00 C ATOM 481 CD1 LEU A 32 11.147 4.305 -6.851 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.596 3.672 -4.469 1.00 0.00 C ATOM 0 H LEU A 32 8.091 7.625 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 32 8.765 5.170 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.330 6.021 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.192 4.905 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 32 9.874 3.130 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.747 3.455 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.360 4.492 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.782 5.187 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.193 2.832 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.240 4.540 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.126 3.409 -3.521 1.00 0.00 H new ATOM 494 N GLY A 33 6.590 4.271 -6.204 1.00 0.00 N ATOM 495 CA GLY A 33 5.270 3.799 -5.822 1.00 0.00 C ATOM 496 C GLY A 33 5.298 2.419 -5.192 1.00 0.00 C ATOM 497 O GLY A 33 6.072 1.556 -5.610 1.00 0.00 O ATOM 0 H GLY A 33 6.981 3.822 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.826 4.505 -5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.628 3.778 -6.702 1.00 0.00 H new ATOM 501 N ILE A 34 4.447 2.211 -4.188 1.00 0.00 N ATOM 502 CA ILE A 34 4.371 0.924 -3.501 1.00 0.00 C ATOM 503 C ILE A 34 3.412 -0.015 -4.229 1.00 0.00 C ATOM 504 O ILE A 34 2.324 0.387 -4.632 1.00 0.00 O ATOM 505 CB ILE A 34 3.920 1.086 -2.026 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.025 1.747 -1.195 1.00 0.00 C ATOM 507 CG2 ILE A 34 3.547 -0.262 -1.418 1.00 0.00 C ATOM 508 CD1 ILE A 34 5.403 3.133 -1.671 1.00 0.00 C ATOM 0 H ILE A 34 3.802 2.917 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 34 5.373 0.496 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 34 3.038 1.726 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.699 1.806 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.911 1.112 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.234 -0.121 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.729 -0.704 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.411 -0.926 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.190 3.535 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.761 3.080 -2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.530 3.784 -1.624 1.00 0.00 H new ATOM 520 N TYR A 35 3.835 -1.261 -4.399 1.00 0.00 N ATOM 521 CA TYR A 35 3.033 -2.268 -5.087 1.00 0.00 C ATOM 522 C TYR A 35 2.848 -3.510 -4.216 1.00 0.00 C ATOM 523 O TYR A 35 3.756 -3.901 -3.485 1.00 0.00 O ATOM 524 CB TYR A 35 3.704 -2.646 -6.408 1.00 0.00 C ATOM 525 CG TYR A 35 3.842 -1.482 -7.363 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.775 -1.086 -8.155 1.00 0.00 C ATOM 527 CD2 TYR A 35 5.035 -0.772 -7.464 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.888 -0.022 -9.024 1.00 0.00 C ATOM 529 CE2 TYR A 35 5.156 0.295 -8.333 1.00 0.00 C ATOM 530 CZ TYR A 35 4.080 0.668 -9.109 1.00 0.00 C ATOM 531 OH TYR A 35 4.196 1.731 -9.975 1.00 0.00 O ATOM 0 H TYR A 35 4.737 -1.602 -4.067 1.00 0.00 H new ATOM 0 HA TYR A 35 2.048 -1.848 -5.289 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.692 -3.056 -6.201 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.125 -3.435 -6.889 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.839 -1.621 -8.090 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.879 -1.060 -6.854 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.047 0.270 -9.636 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.089 0.834 -8.404 1.00 0.00 H new ATOM 0 HH TYR A 35 3.305 2.084 -10.181 1.00 0.00 H new ATOM 541 N VAL A 36 1.669 -4.125 -4.303 1.00 0.00 N ATOM 542 CA VAL A 36 1.370 -5.326 -3.521 1.00 0.00 C ATOM 543 C VAL A 36 1.950 -6.571 -4.187 1.00 0.00 C ATOM 544 O VAL A 36 1.747 -6.800 -5.381 1.00 0.00 O ATOM 545 CB VAL A 36 -0.150 -5.526 -3.328 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.427 -6.707 -2.408 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.795 -4.262 -2.780 1.00 0.00 C ATOM 0 H VAL A 36 0.907 -3.813 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 36 1.832 -5.182 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.588 -5.740 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.503 -6.829 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.006 -7.613 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.030 -6.525 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.865 -4.426 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.348 -4.014 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.635 -3.440 -3.477 1.00 0.00 H new ATOM 557 N LYS A 37 2.670 -7.370 -3.403 1.00 0.00 N ATOM 558 CA LYS A 37 3.284 -8.595 -3.905 1.00 0.00 C ATOM 559 C LYS A 37 2.459 -9.826 -3.527 1.00 0.00 C ATOM 560 O LYS A 37 2.300 -10.741 -4.335 1.00 0.00 O ATOM 561 CB LYS A 37 4.708 -8.737 -3.362 1.00 0.00 C ATOM 562 CG LYS A 37 5.510 -9.846 -4.029 1.00 0.00 C ATOM 563 CD LYS A 37 6.942 -9.412 -4.303 1.00 0.00 C ATOM 564 CE LYS A 37 7.849 -10.602 -4.587 1.00 0.00 C ATOM 565 NZ LYS A 37 8.164 -10.736 -6.039 1.00 0.00 N ATOM 0 H LYS A 37 2.842 -7.189 -2.414 1.00 0.00 H new ATOM 0 HA LYS A 37 3.318 -8.528 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.234 -7.791 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.661 -8.929 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.512 -10.729 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.030 -10.131 -4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.959 -8.731 -5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.325 -8.860 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.776 -10.493 -4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.369 -11.515 -4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.783 -11.558 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.282 -10.867 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.646 -9.876 -6.370 1.00 0.00 H new ATOM 579 N SER A 38 1.941 -9.846 -2.294 1.00 0.00 N ATOM 580 CA SER A 38 1.137 -10.971 -1.815 1.00 0.00 C ATOM 581 C SER A 38 0.661 -10.733 -0.384 1.00 0.00 C ATOM 582 O SER A 38 1.462 -10.432 0.502 1.00 0.00 O ATOM 583 CB SER A 38 1.942 -12.273 -1.883 1.00 0.00 C ATOM 584 OG SER A 38 1.122 -13.357 -2.285 1.00 0.00 O ATOM 0 H SER A 38 2.065 -9.097 -1.613 1.00 0.00 H new ATOM 0 HA SER A 38 0.264 -11.057 -2.462 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.768 -12.158 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.380 -12.486 -0.908 1.00 0.00 H new ATOM 0 HG SER A 38 1.658 -14.176 -2.323 1.00 0.00 H new ATOM 590 N VAL A 39 -0.645 -10.876 -0.161 1.00 0.00 N ATOM 591 CA VAL A 39 -1.219 -10.681 1.170 1.00 0.00 C ATOM 592 C VAL A 39 -1.249 -11.990 1.953 1.00 0.00 C ATOM 593 O VAL A 39 -1.661 -13.028 1.431 1.00 0.00 O ATOM 594 CB VAL A 39 -2.648 -10.097 1.104 1.00 0.00 C ATOM 595 CG1 VAL A 39 -2.607 -8.633 0.694 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.523 -10.900 0.150 1.00 0.00 C ATOM 0 H VAL A 39 -1.323 -11.125 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.575 -9.966 1.682 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.088 -10.164 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.622 -8.238 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.027 -8.067 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.142 -8.543 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.523 -10.468 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.089 -10.875 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.584 -11.933 0.494 1.00 0.00 H new ATOM 606 N VAL A 40 -0.809 -11.935 3.209 1.00 0.00 N ATOM 607 CA VAL A 40 -0.787 -13.119 4.063 1.00 0.00 C ATOM 608 C VAL A 40 -2.197 -13.494 4.511 1.00 0.00 C ATOM 609 O VAL A 40 -2.958 -12.642 4.976 1.00 0.00 O ATOM 610 CB VAL A 40 0.107 -12.914 5.307 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.217 -14.201 6.111 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.487 -12.414 4.903 1.00 0.00 C ATOM 0 H VAL A 40 -0.464 -11.085 3.656 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.368 -13.930 3.467 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.359 -12.157 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.851 -14.033 6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.775 -14.511 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.654 -14.982 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.099 -12.277 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.961 -13.144 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.390 -11.463 4.379 1.00 0.00 H new ATOM 622 N LYS A 41 -2.539 -14.773 4.363 1.00 0.00 N ATOM 623 CA LYS A 41 -3.860 -15.269 4.747 1.00 0.00 C ATOM 624 C LYS A 41 -4.104 -15.079 6.240 1.00 0.00 C ATOM 625 O LYS A 41 -3.416 -15.674 7.071 1.00 0.00 O ATOM 626 CB LYS A 41 -4.005 -16.749 4.383 1.00 0.00 C ATOM 627 CG LYS A 41 -3.752 -17.047 2.913 1.00 0.00 C ATOM 628 CD LYS A 41 -4.947 -16.668 2.052 1.00 0.00 C ATOM 629 CE LYS A 41 -5.660 -17.898 1.514 1.00 0.00 C ATOM 630 NZ LYS A 41 -6.927 -17.545 0.816 1.00 0.00 N ATOM 0 H LYS A 41 -1.918 -15.486 3.979 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.604 -14.692 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.310 -17.332 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.010 -17.081 4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.872 -16.499 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.535 -18.108 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.644 -16.070 2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.615 -16.046 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.001 -18.427 0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.876 -18.581 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.382 -18.411 0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.566 -17.063 1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.718 -16.914 0.016 1.00 0.00 H new ATOM 644 N GLY A 42 -5.086 -14.243 6.572 1.00 0.00 N ATOM 645 CA GLY A 42 -5.407 -13.982 7.966 1.00 0.00 C ATOM 646 C GLY A 42 -5.525 -12.499 8.275 1.00 0.00 C ATOM 647 O GLY A 42 -6.284 -12.107 9.163 1.00 0.00 O ATOM 0 H GLY A 42 -5.666 -13.741 5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.345 -14.477 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.636 -14.420 8.600 1.00 0.00 H new ATOM 651 N GLY A 43 -4.777 -11.673 7.543 1.00 0.00 N ATOM 652 CA GLY A 43 -4.820 -10.238 7.760 1.00 0.00 C ATOM 653 C GLY A 43 -6.180 -9.637 7.441 1.00 0.00 C ATOM 654 O GLY A 43 -6.911 -10.153 6.593 1.00 0.00 O ATOM 0 H GLY A 43 -4.142 -11.974 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.567 -10.024 8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.061 -9.758 7.142 1.00 0.00 H new ATOM 658 N ALA A 44 -6.515 -8.541 8.125 1.00 0.00 N ATOM 659 CA ALA A 44 -7.793 -7.853 7.920 1.00 0.00 C ATOM 660 C ALA A 44 -8.006 -7.480 6.453 1.00 0.00 C ATOM 661 O ALA A 44 -9.129 -7.537 5.948 1.00 0.00 O ATOM 662 CB ALA A 44 -7.865 -6.606 8.791 1.00 0.00 C ATOM 0 H ALA A 44 -5.917 -8.109 8.829 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.588 -8.541 8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.819 -6.104 8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.777 -6.889 9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.051 -5.931 8.528 1.00 0.00 H new ATOM 668 N ALA A 45 -6.923 -7.098 5.772 1.00 0.00 N ATOM 669 CA ALA A 45 -6.996 -6.719 4.362 1.00 0.00 C ATOM 670 C ALA A 45 -7.405 -7.908 3.493 1.00 0.00 C ATOM 671 O ALA A 45 -8.136 -7.748 2.514 1.00 0.00 O ATOM 672 CB ALA A 45 -5.661 -6.159 3.891 1.00 0.00 C ATOM 0 H ALA A 45 -5.987 -7.044 6.175 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.758 -5.946 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.733 -5.882 2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.407 -5.279 4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.885 -6.915 4.015 1.00 0.00 H new ATOM 678 N ASP A 46 -6.924 -9.098 3.856 1.00 0.00 N ATOM 679 CA ASP A 46 -7.236 -10.311 3.108 1.00 0.00 C ATOM 680 C ASP A 46 -8.655 -10.796 3.406 1.00 0.00 C ATOM 681 O ASP A 46 -9.402 -11.140 2.489 1.00 0.00 O ATOM 682 CB ASP A 46 -6.227 -11.417 3.433 1.00 0.00 C ATOM 683 CG ASP A 46 -6.280 -12.561 2.436 1.00 0.00 C ATOM 684 OD1 ASP A 46 -6.343 -12.290 1.216 1.00 0.00 O ATOM 685 OD2 ASP A 46 -6.259 -13.730 2.874 1.00 0.00 O ATOM 0 H ASP A 46 -6.318 -9.245 4.663 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.172 -10.071 2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.222 -10.996 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.424 -11.802 4.434 1.00 0.00 H new ATOM 690 N VAL A 47 -9.019 -10.823 4.688 1.00 0.00 N ATOM 691 CA VAL A 47 -10.352 -11.271 5.097 1.00 0.00 C ATOM 692 C VAL A 47 -11.446 -10.398 4.482 1.00 0.00 C ATOM 693 O VAL A 47 -12.498 -10.900 4.085 1.00 0.00 O ATOM 694 CB VAL A 47 -10.514 -11.271 6.633 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.845 -11.896 7.034 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.354 -12.001 7.296 1.00 0.00 C ATOM 0 H VAL A 47 -8.413 -10.541 5.459 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.457 -12.293 4.732 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.506 -10.237 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.939 -11.886 8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.662 -11.325 6.594 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.887 -12.925 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.487 -11.989 8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.325 -13.033 6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.418 -11.504 7.041 1.00 0.00 H new ATOM 706 N ASP A 48 -11.192 -9.091 4.405 1.00 0.00 N ATOM 707 CA ASP A 48 -12.160 -8.158 3.835 1.00 0.00 C ATOM 708 C ASP A 48 -12.222 -8.289 2.312 1.00 0.00 C ATOM 709 O ASP A 48 -13.304 -8.259 1.724 1.00 0.00 O ATOM 710 CB ASP A 48 -11.809 -6.719 4.221 1.00 0.00 C ATOM 711 CG ASP A 48 -13.041 -5.861 4.441 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.747 -6.083 5.447 1.00 0.00 O ATOM 713 OD2 ASP A 48 -13.298 -4.968 3.608 1.00 0.00 O ATOM 0 H ASP A 48 -10.327 -8.658 4.729 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.140 -8.406 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.208 -6.726 5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.196 -6.275 3.437 1.00 0.00 H new ATOM 718 N GLY A 49 -11.057 -8.434 1.682 1.00 0.00 N ATOM 719 CA GLY A 49 -11.003 -8.567 0.235 1.00 0.00 C ATOM 720 C GLY A 49 -10.991 -7.228 -0.484 1.00 0.00 C ATOM 721 O GLY A 49 -11.528 -7.110 -1.587 1.00 0.00 O ATOM 0 H GLY A 49 -10.150 -8.462 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.110 -9.129 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.861 -9.147 -0.103 1.00 0.00 H new ATOM 725 N ARG A 50 -10.374 -6.219 0.132 1.00 0.00 N ATOM 726 CA ARG A 50 -10.294 -4.889 -0.469 1.00 0.00 C ATOM 727 C ARG A 50 -9.124 -4.808 -1.445 1.00 0.00 C ATOM 728 O ARG A 50 -9.298 -4.447 -2.610 1.00 0.00 O ATOM 729 CB ARG A 50 -10.143 -3.811 0.609 1.00 0.00 C ATOM 730 CG ARG A 50 -11.368 -3.649 1.494 1.00 0.00 C ATOM 731 CD ARG A 50 -12.534 -3.035 0.731 1.00 0.00 C ATOM 732 NE ARG A 50 -13.803 -3.690 1.049 1.00 0.00 N ATOM 733 CZ ARG A 50 -14.892 -3.634 0.278 1.00 0.00 C ATOM 734 NH1 ARG A 50 -14.886 -2.938 -0.857 1.00 0.00 N ATOM 735 NH2 ARG A 50 -15.996 -4.273 0.645 1.00 0.00 N ATOM 0 H ARG A 50 -9.924 -6.298 1.044 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.222 -4.714 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.284 -4.055 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.926 -2.857 0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.663 -4.621 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.120 -3.019 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.604 -1.974 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.346 -3.110 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.860 -4.224 1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.044 -2.440 -1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.724 -2.902 -1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.012 -4.806 1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.829 -4.231 0.057 1.00 0.00 H new ATOM 749 N LEU A 51 -7.932 -5.151 -0.959 1.00 0.00 N ATOM 750 CA LEU A 51 -6.727 -5.124 -1.784 1.00 0.00 C ATOM 751 C LEU A 51 -6.161 -6.532 -1.965 1.00 0.00 C ATOM 752 O LEU A 51 -6.352 -7.402 -1.112 1.00 0.00 O ATOM 753 CB LEU A 51 -5.669 -4.211 -1.156 1.00 0.00 C ATOM 754 CG LEU A 51 -5.219 -4.605 0.255 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.018 -5.537 0.198 1.00 0.00 C ATOM 756 CD2 LEU A 51 -4.896 -3.366 1.074 1.00 0.00 C ATOM 0 H LEU A 51 -7.776 -5.451 0.003 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.997 -4.730 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.795 -4.194 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.062 -3.195 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.038 -5.136 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.716 -5.804 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.284 -6.440 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.192 -5.036 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.578 -3.663 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.095 -2.808 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.783 -2.737 1.148 1.00 0.00 H new ATOM 768 N ALA A 52 -5.463 -6.746 -3.079 1.00 0.00 N ATOM 769 CA ALA A 52 -4.866 -8.044 -3.376 1.00 0.00 C ATOM 770 C ALA A 52 -3.510 -7.883 -4.060 1.00 0.00 C ATOM 771 O ALA A 52 -3.094 -6.766 -4.376 1.00 0.00 O ATOM 772 CB ALA A 52 -5.803 -8.869 -4.246 1.00 0.00 C ATOM 0 H ALA A 52 -5.298 -6.035 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.708 -8.567 -2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.345 -9.835 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.746 -9.023 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.990 -8.341 -5.181 1.00 0.00 H new ATOM 778 N ALA A 53 -2.827 -9.005 -4.287 1.00 0.00 N ATOM 779 CA ALA A 53 -1.518 -8.992 -4.936 1.00 0.00 C ATOM 780 C ALA A 53 -1.603 -8.410 -6.346 1.00 0.00 C ATOM 781 O ALA A 53 -2.354 -8.906 -7.188 1.00 0.00 O ATOM 782 CB ALA A 53 -0.934 -10.397 -4.978 1.00 0.00 C ATOM 0 H ALA A 53 -3.160 -9.935 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.859 -8.353 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.041 -10.371 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.823 -10.775 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.602 -11.052 -5.538 1.00 0.00 H new ATOM 788 N GLY A 54 -0.826 -7.358 -6.597 1.00 0.00 N ATOM 789 CA GLY A 54 -0.824 -6.728 -7.908 1.00 0.00 C ATOM 790 C GLY A 54 -1.541 -5.388 -7.922 1.00 0.00 C ATOM 791 O GLY A 54 -2.237 -5.062 -8.884 1.00 0.00 O ATOM 0 H GLY A 54 -0.198 -6.931 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.206 -6.587 -8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.299 -7.396 -8.627 1.00 0.00 H new ATOM 795 N ASP A 55 -1.368 -4.610 -6.856 1.00 0.00 N ATOM 796 CA ASP A 55 -2.000 -3.298 -6.754 1.00 0.00 C ATOM 797 C ASP A 55 -1.008 -2.257 -6.243 1.00 0.00 C ATOM 798 O ASP A 55 -0.184 -2.551 -5.379 1.00 0.00 O ATOM 799 CB ASP A 55 -3.216 -3.363 -5.824 1.00 0.00 C ATOM 800 CG ASP A 55 -4.430 -3.976 -6.497 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.771 -3.542 -7.619 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.041 -4.890 -5.902 1.00 0.00 O ATOM 0 H ASP A 55 -0.796 -4.866 -6.051 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.330 -3.002 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.962 -3.946 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.463 -2.358 -5.483 1.00 0.00 H new ATOM 807 N GLN A 56 -1.093 -1.039 -6.779 1.00 0.00 N ATOM 808 CA GLN A 56 -0.198 0.040 -6.363 1.00 0.00 C ATOM 809 C GLN A 56 -0.835 0.875 -5.254 1.00 0.00 C ATOM 810 O GLN A 56 -2.059 0.965 -5.153 1.00 0.00 O ATOM 811 CB GLN A 56 0.161 0.942 -7.549 1.00 0.00 C ATOM 812 CG GLN A 56 1.263 1.943 -7.227 1.00 0.00 C ATOM 813 CD GLN A 56 1.537 2.926 -8.351 1.00 0.00 C ATOM 814 OE1 GLN A 56 1.209 2.675 -9.512 1.00 0.00 O ATOM 815 NE2 GLN A 56 2.146 4.056 -8.006 1.00 0.00 N ATOM 0 H GLN A 56 -1.768 -0.776 -7.497 1.00 0.00 H new ATOM 0 HA GLN A 56 0.715 -0.416 -5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.476 0.321 -8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.730 1.482 -7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.988 2.497 -6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.180 1.400 -6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.399 4.222 -7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.360 4.757 -8.715 1.00 0.00 H new ATOM 824 N LEU A 57 0.009 1.486 -4.427 1.00 0.00 N ATOM 825 CA LEU A 57 -0.456 2.319 -3.321 1.00 0.00 C ATOM 826 C LEU A 57 -0.349 3.804 -3.670 1.00 0.00 C ATOM 827 O LEU A 57 0.210 4.171 -4.705 1.00 0.00 O ATOM 828 CB LEU A 57 0.350 2.015 -2.054 1.00 0.00 C ATOM 829 CG LEU A 57 -0.476 1.532 -0.857 1.00 0.00 C ATOM 830 CD1 LEU A 57 -0.217 0.057 -0.584 1.00 0.00 C ATOM 831 CD2 LEU A 57 -0.164 2.366 0.375 1.00 0.00 C ATOM 0 H LEU A 57 1.024 1.419 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.505 2.087 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.096 1.256 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.892 2.915 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.532 1.653 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.813 -0.265 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.492 -0.529 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.840 -0.092 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.759 2.010 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.895 2.276 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.404 3.411 0.177 1.00 0.00 H new ATOM 843 N LEU A 58 -0.896 4.653 -2.800 1.00 0.00 N ATOM 844 CA LEU A 58 -0.868 6.097 -3.015 1.00 0.00 C ATOM 845 C LEU A 58 -0.845 6.856 -1.689 1.00 0.00 C ATOM 846 O LEU A 58 0.027 7.697 -1.461 1.00 0.00 O ATOM 847 CB LEU A 58 -2.089 6.534 -3.835 1.00 0.00 C ATOM 848 CG LEU A 58 -1.783 7.393 -5.066 1.00 0.00 C ATOM 849 CD1 LEU A 58 -3.070 7.753 -5.792 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.025 8.652 -4.668 1.00 0.00 C ATOM 0 H LEU A 58 -1.363 4.364 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 58 0.044 6.333 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.625 5.642 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.762 7.091 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.153 6.815 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.837 8.363 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.575 6.841 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.722 8.313 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.818 9.248 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.628 9.235 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.086 8.375 -4.189 1.00 0.00 H new ATOM 862 N SER A 59 -1.817 6.563 -0.823 1.00 0.00 N ATOM 863 CA SER A 59 -1.916 7.229 0.472 1.00 0.00 C ATOM 864 C SER A 59 -2.165 6.230 1.603 1.00 0.00 C ATOM 865 O SER A 59 -2.930 5.276 1.448 1.00 0.00 O ATOM 866 CB SER A 59 -3.040 8.269 0.436 1.00 0.00 C ATOM 867 OG SER A 59 -3.390 8.702 1.740 1.00 0.00 O ATOM 0 H SER A 59 -2.545 5.870 -0.997 1.00 0.00 H new ATOM 0 HA SER A 59 -0.965 7.723 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.726 9.125 -0.161 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.915 7.843 -0.054 1.00 0.00 H new ATOM 0 HG SER A 59 -2.647 9.210 2.126 1.00 0.00 H new ATOM 873 N VAL A 60 -1.518 6.469 2.746 1.00 0.00 N ATOM 874 CA VAL A 60 -1.670 5.606 3.914 1.00 0.00 C ATOM 875 C VAL A 60 -2.001 6.433 5.153 1.00 0.00 C ATOM 876 O VAL A 60 -1.230 7.308 5.549 1.00 0.00 O ATOM 877 CB VAL A 60 -0.399 4.776 4.190 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.639 3.791 5.327 1.00 0.00 C ATOM 879 CG2 VAL A 60 0.052 4.047 2.933 1.00 0.00 C ATOM 0 H VAL A 60 -0.883 7.255 2.885 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.489 4.921 3.694 1.00 0.00 H new ATOM 0 HB VAL A 60 0.396 5.458 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.269 3.215 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.907 4.337 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.450 3.115 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.950 3.468 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.739 3.377 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.269 4.773 2.150 1.00 0.00 H new ATOM 889 N ASP A 61 -3.155 6.148 5.755 1.00 0.00 N ATOM 890 CA ASP A 61 -3.606 6.861 6.949 1.00 0.00 C ATOM 891 C ASP A 61 -3.681 8.372 6.697 1.00 0.00 C ATOM 892 O ASP A 61 -3.412 9.176 7.592 1.00 0.00 O ATOM 893 CB ASP A 61 -2.679 6.563 8.134 1.00 0.00 C ATOM 894 CG ASP A 61 -3.443 6.119 9.368 1.00 0.00 C ATOM 895 OD1 ASP A 61 -4.065 6.981 10.025 1.00 0.00 O ATOM 896 OD2 ASP A 61 -3.421 4.909 9.676 1.00 0.00 O ATOM 0 H ASP A 61 -3.798 5.424 5.433 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.609 6.509 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.969 5.786 7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.098 7.454 8.371 1.00 0.00 H new ATOM 901 N GLY A 62 -4.054 8.749 5.472 1.00 0.00 N ATOM 902 CA GLY A 62 -4.163 10.156 5.123 1.00 0.00 C ATOM 903 C GLY A 62 -2.815 10.817 4.881 1.00 0.00 C ATOM 904 O GLY A 62 -2.628 11.989 5.206 1.00 0.00 O ATOM 0 H GLY A 62 -4.282 8.103 4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.776 10.255 4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.681 10.684 5.924 1.00 0.00 H new ATOM 908 N ARG A 63 -1.876 10.068 4.300 1.00 0.00 N ATOM 909 CA ARG A 63 -0.543 10.593 4.006 1.00 0.00 C ATOM 910 C ARG A 63 -0.168 10.339 2.546 1.00 0.00 C ATOM 911 O ARG A 63 -0.910 9.688 1.812 1.00 0.00 O ATOM 912 CB ARG A 63 0.501 9.963 4.934 1.00 0.00 C ATOM 913 CG ARG A 63 0.904 10.865 6.090 1.00 0.00 C ATOM 914 CD ARG A 63 1.360 10.063 7.301 1.00 0.00 C ATOM 915 NE ARG A 63 2.629 10.556 7.839 1.00 0.00 N ATOM 916 CZ ARG A 63 2.783 11.747 8.426 1.00 0.00 C ATOM 917 NH1 ARG A 63 1.746 12.569 8.574 1.00 0.00 N ATOM 918 NH2 ARG A 63 3.980 12.113 8.874 1.00 0.00 N ATOM 0 H ARG A 63 -2.015 9.096 4.024 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.560 11.669 4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.105 9.029 5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.388 9.711 4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.707 11.529 5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.061 11.497 6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.595 10.110 8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.467 9.015 7.022 1.00 0.00 H new ATOM 0 HE ARG A 63 3.448 9.952 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.824 12.292 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.874 13.476 9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.777 11.486 8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.101 13.021 9.322 1.00 0.00 H new ATOM 932 N SER A 64 0.987 10.860 2.130 1.00 0.00 N ATOM 933 CA SER A 64 1.456 10.692 0.755 1.00 0.00 C ATOM 934 C SER A 64 2.815 10.001 0.718 1.00 0.00 C ATOM 935 O SER A 64 3.787 10.492 1.294 1.00 0.00 O ATOM 936 CB SER A 64 1.549 12.051 0.051 1.00 0.00 C ATOM 937 OG SER A 64 0.524 12.929 0.487 1.00 0.00 O ATOM 0 H SER A 64 1.614 11.401 2.725 1.00 0.00 H new ATOM 0 HA SER A 64 0.734 10.065 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.523 12.499 0.248 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.476 11.910 -1.027 1.00 0.00 H new ATOM 0 HG SER A 64 0.609 13.788 0.023 1.00 0.00 H new ATOM 943 N LEU A 65 2.880 8.860 0.032 1.00 0.00 N ATOM 944 CA LEU A 65 4.133 8.108 -0.081 1.00 0.00 C ATOM 945 C LEU A 65 4.741 8.249 -1.479 1.00 0.00 C ATOM 946 O LEU A 65 5.437 7.348 -1.952 1.00 0.00 O ATOM 947 CB LEU A 65 3.914 6.626 0.246 1.00 0.00 C ATOM 948 CG LEU A 65 2.809 6.332 1.263 1.00 0.00 C ATOM 949 CD1 LEU A 65 1.537 5.891 0.552 1.00 0.00 C ATOM 950 CD2 LEU A 65 3.267 5.273 2.255 1.00 0.00 C ATOM 0 H LEU A 65 2.087 8.437 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 65 4.831 8.528 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.682 6.098 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.850 6.213 0.623 1.00 0.00 H new ATOM 0 HG LEU A 65 2.593 7.246 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.761 5.686 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.201 6.683 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.737 4.988 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.469 5.076 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.510 4.355 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.151 5.629 2.785 1.00 0.00 H new ATOM 962 N VAL A 66 4.482 9.383 -2.135 1.00 0.00 N ATOM 963 CA VAL A 66 5.012 9.629 -3.471 1.00 0.00 C ATOM 964 C VAL A 66 6.401 10.255 -3.398 1.00 0.00 C ATOM 965 O VAL A 66 6.549 11.458 -3.171 1.00 0.00 O ATOM 966 CB VAL A 66 4.074 10.532 -4.296 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.719 10.927 -5.617 1.00 0.00 C ATOM 968 CG2 VAL A 66 2.751 9.823 -4.534 1.00 0.00 C ATOM 0 H VAL A 66 3.910 10.141 -1.761 1.00 0.00 H new ATOM 0 HA VAL A 66 5.084 8.663 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 66 3.888 11.446 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.036 11.564 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.644 11.470 -5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.939 10.031 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.093 10.467 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.928 8.896 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.282 9.597 -3.576 1.00 0.00 H new ATOM 978 N GLY A 67 7.411 9.417 -3.590 1.00 0.00 N ATOM 979 CA GLY A 67 8.792 9.873 -3.543 1.00 0.00 C ATOM 980 C GLY A 67 9.521 9.400 -2.296 1.00 0.00 C ATOM 981 O GLY A 67 10.461 10.050 -1.834 1.00 0.00 O ATOM 0 H GLY A 67 7.300 8.421 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.320 9.514 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.813 10.962 -3.580 1.00 0.00 H new ATOM 985 N LEU A 68 9.086 8.260 -1.753 1.00 0.00 N ATOM 986 CA LEU A 68 9.691 7.685 -0.556 1.00 0.00 C ATOM 987 C LEU A 68 10.268 6.305 -0.850 1.00 0.00 C ATOM 988 O LEU A 68 9.945 5.688 -1.867 1.00 0.00 O ATOM 989 CB LEU A 68 8.651 7.568 0.559 1.00 0.00 C ATOM 990 CG LEU A 68 8.307 8.871 1.278 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.289 8.604 2.375 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.563 9.516 1.850 1.00 0.00 C ATOM 0 H LEU A 68 8.310 7.715 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 68 10.497 8.346 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.736 7.154 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.013 6.852 1.296 1.00 0.00 H new ATOM 0 HG LEU A 68 7.871 9.565 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.049 9.538 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.383 8.186 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.705 7.897 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.297 10.443 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.031 8.834 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.261 9.733 1.041 1.00 0.00 H new ATOM 1004 N SER A 69 11.110 5.821 0.057 1.00 0.00 N ATOM 1005 CA SER A 69 11.720 4.508 -0.093 1.00 0.00 C ATOM 1006 C SER A 69 10.778 3.426 0.422 1.00 0.00 C ATOM 1007 O SER A 69 9.955 3.675 1.307 1.00 0.00 O ATOM 1008 CB SER A 69 13.050 4.444 0.662 1.00 0.00 C ATOM 1009 OG SER A 69 14.087 5.064 -0.078 1.00 0.00 O ATOM 0 H SER A 69 11.385 6.320 0.903 1.00 0.00 H new ATOM 0 HA SER A 69 11.911 4.337 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.946 4.935 1.630 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.311 3.404 0.858 1.00 0.00 H new ATOM 0 HG SER A 69 14.925 5.011 0.427 1.00 0.00 H new ATOM 1015 N GLN A 70 10.908 2.228 -0.135 1.00 0.00 N ATOM 1016 CA GLN A 70 10.076 1.096 0.261 1.00 0.00 C ATOM 1017 C GLN A 70 10.088 0.900 1.780 1.00 0.00 C ATOM 1018 O GLN A 70 9.099 0.448 2.359 1.00 0.00 O ATOM 1019 CB GLN A 70 10.572 -0.168 -0.438 1.00 0.00 C ATOM 1020 CG GLN A 70 9.656 -1.366 -0.280 1.00 0.00 C ATOM 1021 CD GLN A 70 10.365 -2.665 -0.605 1.00 0.00 C ATOM 1022 OE1 GLN A 70 11.146 -2.731 -1.553 1.00 0.00 O ATOM 1023 NE2 GLN A 70 10.107 -3.700 0.183 1.00 0.00 N ATOM 0 H GLN A 70 11.586 2.014 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 70 9.048 1.301 -0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.696 0.043 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.557 -0.424 -0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.280 -1.403 0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.791 -1.251 -0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.452 -3.600 0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.564 -4.596 0.014 1.00 0.00 H new ATOM 1032 N GLU A 71 11.209 1.253 2.420 1.00 0.00 N ATOM 1033 CA GLU A 71 11.343 1.126 3.870 1.00 0.00 C ATOM 1034 C GLU A 71 10.375 2.066 4.580 1.00 0.00 C ATOM 1035 O GLU A 71 9.622 1.648 5.458 1.00 0.00 O ATOM 1036 CB GLU A 71 12.775 1.447 4.309 1.00 0.00 C ATOM 1037 CG GLU A 71 13.682 0.229 4.408 1.00 0.00 C ATOM 1038 CD GLU A 71 14.666 0.319 5.561 1.00 0.00 C ATOM 1039 OE1 GLU A 71 15.253 1.406 5.763 1.00 0.00 O ATOM 1040 OE2 GLU A 71 14.854 -0.699 6.260 1.00 0.00 O ATOM 0 H GLU A 71 12.035 1.629 1.954 1.00 0.00 H new ATOM 0 HA GLU A 71 11.108 0.097 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.210 2.154 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.744 1.943 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.070 -0.665 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.233 0.115 3.474 1.00 0.00 H new ATOM 1047 N ARG A 72 10.402 3.338 4.186 1.00 0.00 N ATOM 1048 CA ARG A 72 9.529 4.341 4.778 1.00 0.00 C ATOM 1049 C ARG A 72 8.061 4.016 4.514 1.00 0.00 C ATOM 1050 O ARG A 72 7.217 4.177 5.392 1.00 0.00 O ATOM 1051 CB ARG A 72 9.869 5.726 4.224 1.00 0.00 C ATOM 1052 CG ARG A 72 10.611 6.613 5.210 1.00 0.00 C ATOM 1053 CD ARG A 72 11.870 5.941 5.745 1.00 0.00 C ATOM 1054 NE ARG A 72 12.865 5.712 4.696 1.00 0.00 N ATOM 1055 CZ ARG A 72 14.012 5.058 4.888 1.00 0.00 C ATOM 1056 NH1 ARG A 72 14.321 4.573 6.086 1.00 0.00 N ATOM 1057 NH2 ARG A 72 14.857 4.890 3.876 1.00 0.00 N ATOM 0 H ARG A 72 11.021 3.695 3.458 1.00 0.00 H new ATOM 0 HA ARG A 72 9.689 4.337 5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.476 5.609 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.947 6.224 3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.879 7.551 4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.952 6.862 6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.306 6.562 6.527 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.604 4.989 6.205 1.00 0.00 H new ATOM 0 HE ARG A 72 12.670 6.074 3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.679 4.699 6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.200 4.074 6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.628 5.261 2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.734 4.390 4.022 1.00 0.00 H new ATOM 1071 N ALA A 73 7.767 3.555 3.299 1.00 0.00 N ATOM 1072 CA ALA A 73 6.401 3.207 2.921 1.00 0.00 C ATOM 1073 C ALA A 73 5.822 2.135 3.843 1.00 0.00 C ATOM 1074 O ALA A 73 4.814 2.365 4.515 1.00 0.00 O ATOM 1075 CB ALA A 73 6.356 2.744 1.475 1.00 0.00 C ATOM 0 H ALA A 73 8.457 3.414 2.561 1.00 0.00 H new ATOM 0 HA ALA A 73 5.787 4.101 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.331 2.488 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.712 3.544 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.993 1.868 1.354 1.00 0.00 H new ATOM 1081 N ALA A 74 6.465 0.966 3.877 1.00 0.00 N ATOM 1082 CA ALA A 74 6.010 -0.135 4.726 1.00 0.00 C ATOM 1083 C ALA A 74 6.041 0.266 6.199 1.00 0.00 C ATOM 1084 O ALA A 74 5.095 0.003 6.942 1.00 0.00 O ATOM 1085 CB ALA A 74 6.858 -1.381 4.498 1.00 0.00 C ATOM 0 H ALA A 74 7.299 0.758 3.328 1.00 0.00 H new ATOM 0 HA ALA A 74 4.980 -0.365 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.501 -2.186 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.781 -1.687 3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.899 -1.161 4.736 1.00 0.00 H new ATOM 1091 N GLU A 75 7.134 0.911 6.613 1.00 0.00 N ATOM 1092 CA GLU A 75 7.286 1.357 7.996 1.00 0.00 C ATOM 1093 C GLU A 75 6.163 2.317 8.390 1.00 0.00 C ATOM 1094 O GLU A 75 5.655 2.259 9.510 1.00 0.00 O ATOM 1095 CB GLU A 75 8.644 2.035 8.191 1.00 0.00 C ATOM 1096 CG GLU A 75 8.970 2.338 9.646 1.00 0.00 C ATOM 1097 CD GLU A 75 9.172 3.820 9.906 1.00 0.00 C ATOM 1098 OE1 GLU A 75 8.244 4.607 9.621 1.00 0.00 O ATOM 1099 OE2 GLU A 75 10.257 4.191 10.397 1.00 0.00 O ATOM 0 H GLU A 75 7.925 1.135 6.009 1.00 0.00 H new ATOM 0 HA GLU A 75 7.230 0.479 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.423 1.394 7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.662 2.965 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.163 1.969 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.872 1.797 9.932 1.00 0.00 H new ATOM 1106 N LEU A 76 5.775 3.194 7.465 1.00 0.00 N ATOM 1107 CA LEU A 76 4.706 4.157 7.724 1.00 0.00 C ATOM 1108 C LEU A 76 3.352 3.455 7.844 1.00 0.00 C ATOM 1109 O LEU A 76 2.497 3.874 8.623 1.00 0.00 O ATOM 1110 CB LEU A 76 4.647 5.210 6.612 1.00 0.00 C ATOM 1111 CG LEU A 76 5.592 6.405 6.787 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.820 7.106 5.455 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.034 7.377 7.817 1.00 0.00 C ATOM 0 H LEU A 76 6.183 3.257 6.533 1.00 0.00 H new ATOM 0 HA LEU A 76 4.927 4.651 8.670 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.874 4.725 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.625 5.583 6.542 1.00 0.00 H new ATOM 0 HG LEU A 76 6.552 6.036 7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.493 7.951 5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.263 6.406 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.867 7.463 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.716 8.219 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.061 7.740 7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.924 6.869 8.775 1.00 0.00 H new ATOM 1125 N MET A 77 3.161 2.391 7.063 1.00 0.00 N ATOM 1126 CA MET A 77 1.906 1.639 7.079 1.00 0.00 C ATOM 1127 C MET A 77 1.801 0.738 8.311 1.00 0.00 C ATOM 1128 O MET A 77 0.738 0.645 8.924 1.00 0.00 O ATOM 1129 CB MET A 77 1.767 0.802 5.804 1.00 0.00 C ATOM 1130 CG MET A 77 1.584 1.634 4.543 1.00 0.00 C ATOM 1131 SD MET A 77 2.488 0.974 3.129 1.00 0.00 S ATOM 1132 CE MET A 77 1.853 -0.699 3.067 1.00 0.00 C ATOM 0 H MET A 77 3.859 2.031 6.412 1.00 0.00 H new ATOM 0 HA MET A 77 1.092 2.363 7.123 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.653 0.178 5.691 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.916 0.130 5.912 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.523 1.685 4.298 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.916 2.654 4.736 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.675 -1.405 3.190 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.128 -0.843 3.868 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.369 -0.869 2.105 1.00 0.00 H new ATOM 1142 N THR A 78 2.901 0.079 8.674 1.00 0.00 N ATOM 1143 CA THR A 78 2.904 -0.803 9.842 1.00 0.00 C ATOM 1144 C THR A 78 2.817 0.011 11.132 1.00 0.00 C ATOM 1145 O THR A 78 2.153 -0.397 12.087 1.00 0.00 O ATOM 1146 CB THR A 78 4.152 -1.699 9.855 1.00 0.00 C ATOM 1147 OG1 THR A 78 4.190 -2.493 11.028 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.458 -0.933 9.781 1.00 0.00 C ATOM 0 H THR A 78 3.793 0.137 8.183 1.00 0.00 H new ATOM 0 HA THR A 78 2.026 -1.446 9.778 1.00 0.00 H new ATOM 0 HB THR A 78 4.064 -2.313 8.959 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.991 -3.057 11.015 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.292 -1.634 9.795 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.487 -0.352 8.859 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.535 -0.261 10.636 1.00 0.00 H new ATOM 1156 N ARG A 79 3.484 1.166 11.152 1.00 0.00 N ATOM 1157 CA ARG A 79 3.476 2.035 12.325 1.00 0.00 C ATOM 1158 C ARG A 79 2.319 3.043 12.269 1.00 0.00 C ATOM 1159 O ARG A 79 2.534 4.255 12.350 1.00 0.00 O ATOM 1160 CB ARG A 79 4.817 2.769 12.447 1.00 0.00 C ATOM 1161 CG ARG A 79 6.004 1.838 12.661 1.00 0.00 C ATOM 1162 CD ARG A 79 7.287 2.609 12.939 1.00 0.00 C ATOM 1163 NE ARG A 79 7.085 3.688 13.907 1.00 0.00 N ATOM 1164 CZ ARG A 79 6.890 3.496 15.215 1.00 0.00 C ATOM 1165 NH1 ARG A 79 6.881 2.265 15.723 1.00 0.00 N ATOM 1166 NH2 ARG A 79 6.702 4.538 16.018 1.00 0.00 N ATOM 0 H ARG A 79 4.035 1.519 10.370 1.00 0.00 H new ATOM 0 HA ARG A 79 3.330 1.410 13.206 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.984 3.356 11.544 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.763 3.472 13.278 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.795 1.169 13.495 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.140 1.214 11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.047 1.924 13.315 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.667 3.026 12.007 1.00 0.00 H new ATOM 0 HE ARG A 79 7.094 4.648 13.561 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.024 1.460 15.113 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.732 2.127 16.722 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.707 5.484 15.636 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.553 4.392 17.016 1.00 0.00 H new ATOM 1180 N THR A 80 1.090 2.534 12.136 1.00 0.00 N ATOM 1181 CA THR A 80 -0.102 3.386 12.076 1.00 0.00 C ATOM 1182 C THR A 80 -0.956 3.234 13.336 1.00 0.00 C ATOM 1183 O THR A 80 -0.631 2.449 14.230 1.00 0.00 O ATOM 1184 CB THR A 80 -0.950 3.042 10.848 1.00 0.00 C ATOM 1185 OG1 THR A 80 -1.158 1.643 10.751 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.340 3.513 9.547 1.00 0.00 C ATOM 0 H THR A 80 0.895 1.535 12.068 1.00 0.00 H new ATOM 0 HA THR A 80 0.239 4.419 12.004 1.00 0.00 H new ATOM 0 HB THR A 80 -1.894 3.567 10.996 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.524 1.262 10.108 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.992 3.237 8.718 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.223 4.596 9.571 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.636 3.046 9.412 1.00 0.00 H new ATOM 1194 N SER A 81 -2.057 3.988 13.393 1.00 0.00 N ATOM 1195 CA SER A 81 -2.973 3.939 14.531 1.00 0.00 C ATOM 1196 C SER A 81 -3.862 2.696 14.457 1.00 0.00 C ATOM 1197 O SER A 81 -3.699 1.859 13.566 1.00 0.00 O ATOM 1198 CB SER A 81 -3.839 5.208 14.570 1.00 0.00 C ATOM 1199 OG SER A 81 -3.885 5.845 13.301 1.00 0.00 O ATOM 0 H SER A 81 -2.335 4.641 12.660 1.00 0.00 H new ATOM 0 HA SER A 81 -2.382 3.886 15.445 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.850 4.951 14.886 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.440 5.900 15.312 1.00 0.00 H new ATOM 0 HG SER A 81 -4.445 6.648 13.358 1.00 0.00 H new ATOM 1205 N SER A 82 -4.805 2.580 15.395 1.00 0.00 N ATOM 1206 CA SER A 82 -5.721 1.439 15.428 1.00 0.00 C ATOM 1207 C SER A 82 -6.410 1.245 14.075 1.00 0.00 C ATOM 1208 O SER A 82 -6.600 0.114 13.623 1.00 0.00 O ATOM 1209 CB SER A 82 -6.772 1.630 16.526 1.00 0.00 C ATOM 1210 OG SER A 82 -6.170 2.025 17.747 1.00 0.00 O ATOM 0 H SER A 82 -4.954 3.261 16.140 1.00 0.00 H new ATOM 0 HA SER A 82 -5.135 0.546 15.646 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.496 2.383 16.214 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.322 0.701 16.672 1.00 0.00 H new ATOM 0 HG SER A 82 -6.863 2.142 18.430 1.00 0.00 H new ATOM 1216 N VAL A 83 -6.779 2.355 13.432 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.441 2.306 12.130 1.00 0.00 C ATOM 1218 C VAL A 83 -6.437 2.529 10.998 1.00 0.00 C ATOM 1219 O VAL A 83 -5.457 3.259 11.160 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.567 3.359 12.026 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.354 3.180 10.735 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.493 3.279 13.232 1.00 0.00 C ATOM 0 H VAL A 83 -6.630 3.297 13.793 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.880 1.313 12.034 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.107 4.347 12.013 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.142 3.931 10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.685 3.295 9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.799 2.185 10.715 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.278 4.029 13.138 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.942 2.287 13.280 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.922 3.463 14.142 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.692 1.894 9.854 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.817 2.014 8.690 1.00 0.00 C ATOM 1234 C VAL A 84 -6.581 2.560 7.484 1.00 0.00 C ATOM 1235 O VAL A 84 -7.689 2.111 7.188 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.190 0.655 8.309 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.130 0.836 7.231 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.600 -0.030 9.535 1.00 0.00 C ATOM 0 H VAL A 84 -7.501 1.289 9.709 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.022 2.708 8.964 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.978 0.016 7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.700 -0.133 6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.585 1.275 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.344 1.495 7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.164 -0.985 9.243 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.827 0.604 9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.386 -0.200 10.271 1.00 0.00 H new ATOM 1248 N THR A 85 -5.979 3.529 6.795 1.00 0.00 N ATOM 1249 CA THR A 85 -6.602 4.135 5.620 1.00 0.00 C ATOM 1250 C THR A 85 -5.692 4.021 4.397 1.00 0.00 C ATOM 1251 O THR A 85 -4.934 4.943 4.085 1.00 0.00 O ATOM 1252 CB THR A 85 -6.942 5.607 5.891 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.144 5.837 7.276 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.183 6.074 5.164 1.00 0.00 C ATOM 0 H THR A 85 -5.063 3.910 7.030 1.00 0.00 H new ATOM 0 HA THR A 85 -7.525 3.593 5.412 1.00 0.00 H new ATOM 0 HB THR A 85 -6.085 6.171 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.357 6.782 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.369 7.122 5.398 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.039 5.962 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.037 5.475 5.480 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.769 2.883 3.709 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.949 2.645 2.522 1.00 0.00 C ATOM 1264 C LEU A 86 -5.681 3.068 1.249 1.00 0.00 C ATOM 1265 O LEU A 86 -6.881 2.831 1.101 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.558 1.168 2.432 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.584 0.688 3.511 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.952 -0.712 3.981 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.153 0.724 2.992 1.00 0.00 C ATOM 0 H LEU A 86 -6.390 2.112 3.953 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.047 3.250 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.464 0.564 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.112 0.985 1.454 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.655 1.363 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.248 -1.035 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.960 -0.704 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.912 -1.401 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.474 0.380 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.065 0.074 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.894 1.745 2.710 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.944 3.694 0.334 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.508 4.155 -0.930 1.00 0.00 C ATOM 1283 C GLU A 87 -4.721 3.585 -2.109 1.00 0.00 C ATOM 1284 O GLU A 87 -3.658 4.098 -2.463 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.499 5.686 -0.972 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.128 6.286 -2.219 1.00 0.00 C ATOM 1287 CD GLU A 87 -5.843 7.770 -2.346 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -6.476 8.561 -1.615 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -4.982 8.140 -3.171 1.00 0.00 O ATOM 0 H GLU A 87 -3.950 3.894 0.447 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.537 3.803 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.027 6.064 -0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.468 6.033 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.749 5.768 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.206 6.125 -2.194 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.246 2.514 -2.704 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.587 1.867 -3.839 1.00 0.00 C ATOM 1298 C VAL A 88 -5.289 2.183 -5.158 1.00 0.00 C ATOM 1299 O VAL A 88 -6.368 2.778 -5.177 1.00 0.00 O ATOM 1300 CB VAL A 88 -4.522 0.333 -3.669 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -3.592 -0.051 -2.528 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -5.913 -0.248 -3.457 1.00 0.00 C ATOM 0 H VAL A 88 -6.123 2.077 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.574 2.268 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.116 -0.090 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.565 -1.136 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.588 0.320 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.956 0.388 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.842 -1.329 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.356 0.186 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.539 -0.017 -4.319 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.665 1.766 -6.261 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.217 1.988 -7.592 1.00 0.00 C ATOM 1314 C ALA A 89 -5.724 0.682 -8.197 1.00 0.00 C ATOM 1315 O ALA A 89 -4.933 -0.173 -8.599 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.175 2.624 -8.502 1.00 0.00 C ATOM 0 H ALA A 89 -3.773 1.271 -6.255 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.062 2.670 -7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.604 2.783 -9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.863 3.581 -8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.311 1.964 -8.583 1.00 0.00 H new ATOM 1322 N LYS A 90 -7.047 0.539 -8.263 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.669 -0.657 -8.825 1.00 0.00 C ATOM 1324 C LYS A 90 -7.332 -0.792 -10.307 1.00 0.00 C ATOM 1325 O LYS A 90 -7.883 -0.077 -11.146 1.00 0.00 O ATOM 1326 CB LYS A 90 -9.188 -0.604 -8.632 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.658 -1.207 -7.320 1.00 0.00 C ATOM 1328 CD LYS A 90 -10.521 -2.435 -7.549 1.00 0.00 C ATOM 1329 CE LYS A 90 -10.341 -3.455 -6.435 1.00 0.00 C ATOM 1330 NZ LYS A 90 -11.483 -4.409 -6.361 1.00 0.00 N ATOM 0 H LYS A 90 -7.710 1.240 -7.933 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.276 -1.528 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.516 0.434 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.669 -1.130 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.794 -1.476 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.223 -0.463 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.569 -2.140 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.263 -2.889 -8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.416 -4.009 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.240 -2.936 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.320 -5.086 -5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.363 -3.884 -6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.565 -4.923 -7.261 1.00 0.00 H new ATOM 1344 N GLN A 91 -6.417 -1.707 -10.620 1.00 0.00 N ATOM 1345 CA GLN A 91 -5.994 -1.932 -12.000 1.00 0.00 C ATOM 1346 C GLN A 91 -5.906 -3.425 -12.318 1.00 0.00 C ATOM 1347 O GLN A 91 -5.785 -4.258 -11.416 1.00 0.00 O ATOM 1348 CB GLN A 91 -4.635 -1.266 -12.246 1.00 0.00 C ATOM 1349 CG GLN A 91 -3.560 -1.687 -11.253 1.00 0.00 C ATOM 1350 CD GLN A 91 -2.160 -1.278 -11.681 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -1.924 -0.948 -12.844 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -1.220 -1.299 -10.741 1.00 0.00 N ATOM 0 H GLN A 91 -5.954 -2.305 -9.936 1.00 0.00 H new ATOM 0 HA GLN A 91 -6.741 -1.489 -12.658 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.300 -1.506 -13.255 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.757 -0.184 -12.200 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.779 -1.246 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -3.594 -2.769 -11.127 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.457 -1.579 -9.789 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.262 -1.035 -10.972 1.00 0.00 H new ATOM 1361 N GLY A 92 -5.967 -3.751 -13.609 1.00 0.00 N ATOM 1362 CA GLY A 92 -5.889 -5.139 -14.040 1.00 0.00 C ATOM 1363 C GLY A 92 -4.519 -5.546 -14.536 1.00 0.00 C ATOM 1364 O GLY A 92 -4.305 -6.687 -14.949 1.00 0.00 O ATOM 0 H GLY A 92 -6.069 -3.076 -14.367 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.171 -5.785 -13.208 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.617 -5.305 -14.834 1.00 0.00 H new ATOM 1368 N ALA A 93 -3.604 -4.607 -14.484 1.00 0.00 N ATOM 1369 CA ALA A 93 -2.225 -4.824 -14.917 1.00 0.00 C ATOM 1370 C ALA A 93 -1.246 -4.696 -13.751 1.00 0.00 C ATOM 1371 O ALA A 93 -1.647 -4.174 -12.687 1.00 0.00 O ATOM 1372 CB ALA A 93 -1.857 -3.847 -16.023 1.00 0.00 C ATOM 1373 OXT ALA A 93 -0.081 -5.118 -13.911 1.00 0.00 O ATOM 0 H ALA A 93 -3.786 -3.664 -14.140 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.154 -5.841 -15.303 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.827 -4.021 -16.335 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.523 -3.992 -16.873 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.957 -2.826 -15.655 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 11.961 -3.389 -6.522 1.00 0.00 N ATOM 1381 CA LEU B 99 13.373 -3.800 -6.284 1.00 0.00 C ATOM 1382 C LEU B 99 13.504 -4.704 -5.053 1.00 0.00 C ATOM 1383 O LEU B 99 14.359 -5.589 -5.019 1.00 0.00 O ATOM 1384 CB LEU B 99 14.234 -2.538 -6.122 1.00 0.00 C ATOM 1385 CG LEU B 99 15.022 -2.125 -7.373 1.00 0.00 C ATOM 1386 CD1 LEU B 99 15.258 -0.621 -7.391 1.00 0.00 C ATOM 1387 CD2 LEU B 99 16.347 -2.873 -7.446 1.00 0.00 C ATOM 0 HA LEU B 99 13.718 -4.380 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU B 99 13.588 -1.711 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU B 99 14.937 -2.699 -5.305 1.00 0.00 H new ATOM 0 HG LEU B 99 14.429 -2.389 -8.249 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.818 -0.351 -8.286 1.00 0.00 H new ATOM 0 HD12 LEU B 99 14.299 -0.102 -7.393 1.00 0.00 H new ATOM 0 HD13 LEU B 99 15.826 -0.331 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU B 99 16.890 -2.566 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.943 -2.644 -6.563 1.00 0.00 H new ATOM 0 HD23 LEU B 99 16.157 -3.946 -7.488 1.00 0.00 H new ATOM 1401 N PHE B 100 12.656 -4.482 -4.046 1.00 0.00 N ATOM 1402 CA PHE B 100 12.686 -5.284 -2.821 1.00 0.00 C ATOM 1403 C PHE B 100 11.269 -5.610 -2.349 1.00 0.00 C ATOM 1404 O PHE B 100 10.312 -4.937 -2.729 1.00 0.00 O ATOM 1405 CB PHE B 100 13.439 -4.535 -1.715 1.00 0.00 C ATOM 1406 CG PHE B 100 14.669 -5.247 -1.221 1.00 0.00 C ATOM 1407 CD1 PHE B 100 14.593 -6.145 -0.167 1.00 0.00 C ATOM 1408 CD2 PHE B 100 15.903 -5.016 -1.810 1.00 0.00 C ATOM 1409 CE1 PHE B 100 15.723 -6.797 0.291 1.00 0.00 C ATOM 1410 CE2 PHE B 100 17.035 -5.665 -1.356 1.00 0.00 C ATOM 1411 CZ PHE B 100 16.945 -6.557 -0.305 1.00 0.00 C ATOM 0 H PHE B 100 11.941 -3.755 -4.055 1.00 0.00 H new ATOM 0 HA PHE B 100 13.204 -6.218 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE B 100 13.726 -3.551 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE B 100 12.763 -4.373 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE B 100 13.639 -6.337 0.302 1.00 0.00 H new ATOM 0 HD2 PHE B 100 15.980 -4.321 -2.633 1.00 0.00 H new ATOM 0 HE1 PHE B 100 15.650 -7.493 1.114 1.00 0.00 H new ATOM 0 HE2 PHE B 100 17.990 -5.475 -1.823 1.00 0.00 H new ATOM 0 HZ PHE B 100 17.829 -7.066 0.050 1.00 0.00 H new ATOM 1421 N SER B 101 11.142 -6.639 -1.511 1.00 0.00 N ATOM 1422 CA SER B 101 9.840 -7.040 -0.982 1.00 0.00 C ATOM 1423 C SER B 101 9.891 -7.166 0.542 1.00 0.00 C ATOM 1424 O SER B 101 10.647 -7.976 1.078 1.00 0.00 O ATOM 1425 CB SER B 101 9.386 -8.365 -1.612 1.00 0.00 C ATOM 1426 OG SER B 101 10.176 -9.457 -1.164 1.00 0.00 O ATOM 0 H SER B 101 11.923 -7.208 -1.185 1.00 0.00 H new ATOM 0 HA SER B 101 9.116 -6.267 -1.240 1.00 0.00 H new ATOM 0 HB2 SER B 101 8.340 -8.546 -1.364 1.00 0.00 H new ATOM 0 HB3 SER B 101 9.448 -8.292 -2.698 1.00 0.00 H new ATOM 0 HG SER B 101 10.590 -9.231 -0.305 1.00 0.00 H new ATOM 1432 N THR B 102 9.085 -6.356 1.230 1.00 0.00 N ATOM 1433 CA THR B 102 9.041 -6.376 2.691 1.00 0.00 C ATOM 1434 C THR B 102 7.697 -6.925 3.185 1.00 0.00 C ATOM 1435 O THR B 102 6.952 -7.535 2.416 1.00 0.00 O ATOM 1436 CB THR B 102 9.294 -4.965 3.246 1.00 0.00 C ATOM 1437 OG1 THR B 102 9.790 -5.030 4.572 1.00 0.00 O ATOM 1438 CG2 THR B 102 8.063 -4.079 3.261 1.00 0.00 C ATOM 0 H THR B 102 8.455 -5.679 0.799 1.00 0.00 H new ATOM 0 HA THR B 102 9.827 -7.037 3.056 1.00 0.00 H new ATOM 0 HB THR B 102 10.022 -4.523 2.566 1.00 0.00 H new ATOM 0 HG1 THR B 102 9.947 -4.123 4.908 1.00 0.00 H new ATOM 0 HG21 THR B 102 8.323 -3.101 3.666 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.686 -3.962 2.245 1.00 0.00 H new ATOM 0 HG23 THR B 102 7.293 -4.536 3.883 1.00 0.00 H new ATOM 1446 N GLU B 103 7.390 -6.703 4.464 1.00 0.00 N ATOM 1447 CA GLU B 103 6.134 -7.173 5.040 1.00 0.00 C ATOM 1448 C GLU B 103 5.586 -6.160 6.042 1.00 0.00 C ATOM 1449 O GLU B 103 6.187 -5.920 7.091 1.00 0.00 O ATOM 1450 CB GLU B 103 6.319 -8.539 5.715 1.00 0.00 C ATOM 1451 CG GLU B 103 7.588 -8.652 6.549 1.00 0.00 C ATOM 1452 CD GLU B 103 7.311 -9.007 7.999 1.00 0.00 C ATOM 1453 OE1 GLU B 103 6.784 -10.112 8.252 1.00 0.00 O ATOM 1454 OE2 GLU B 103 7.625 -8.181 8.882 1.00 0.00 O ATOM 0 H GLU B 103 7.993 -6.202 5.117 1.00 0.00 H new ATOM 0 HA GLU B 103 5.415 -7.284 4.229 1.00 0.00 H new ATOM 0 HB2 GLU B 103 5.458 -8.736 6.354 1.00 0.00 H new ATOM 0 HB3 GLU B 103 6.331 -9.313 4.948 1.00 0.00 H new ATOM 0 HG2 GLU B 103 8.238 -9.410 6.112 1.00 0.00 H new ATOM 0 HG3 GLU B 103 8.129 -7.707 6.508 1.00 0.00 H new ATOM 1461 N VAL B 104 4.441 -5.567 5.709 1.00 0.00 N ATOM 1462 CA VAL B 104 3.807 -4.577 6.577 1.00 0.00 C ATOM 1463 C VAL B 104 2.622 -5.187 7.333 1.00 0.00 C ATOM 1464 O VAL B 104 2.386 -4.774 8.489 1.00 0.00 O ATOM 1465 CB VAL B 104 3.340 -3.339 5.770 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.327 -3.735 4.706 1.00 0.00 C ATOM 1467 CG2 VAL B 104 2.764 -2.267 6.689 1.00 0.00 C ATOM 1468 OXT VAL B 104 1.949 -6.079 6.769 1.00 0.00 O ATOM 0 H VAL B 104 3.934 -5.755 4.844 1.00 0.00 H new ATOM 0 HA VAL B 104 4.554 -4.254 7.302 1.00 0.00 H new ATOM 0 HB VAL B 104 4.214 -2.920 5.271 1.00 0.00 H new ATOM 0 HG11 VAL B 104 2.015 -2.849 4.153 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.781 -4.450 4.019 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.459 -4.191 5.182 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.445 -1.411 6.094 1.00 0.00 H new ATOM 0 HG22 VAL B 104 1.909 -2.672 7.229 1.00 0.00 H new ATOM 0 HG23 VAL B 104 3.526 -1.950 7.401 1.00 0.00 H new TER 1478 VAL B 104