USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 889 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 86 SER OG : rot -45:sc= 0.681 USER MOD Set 1.2: A 89 SER OG : rot -160:sc= 1.14 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0255 (180deg=-0.32) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0481 (180deg=-0.14) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0906 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -144:sc= -0.107 (180deg=-0.553) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= -0.589 (180deg=-0.614) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.13 K(o=1.1,f=-1.6) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.144) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 160:sc= 0.0267 USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00628 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 102 LYS NZ :NH3+ 146:sc= 3.21 (180deg=2.15!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.111 -3.943 -0.407 1.00 0.00 N ATOM 2 CA MET A 1 10.255 -3.177 -1.659 1.00 0.00 C ATOM 3 C MET A 1 9.853 -1.719 -1.459 1.00 0.00 C ATOM 4 O MET A 1 9.180 -1.386 -0.483 1.00 0.00 O ATOM 5 CB MET A 1 9.450 -3.811 -2.800 1.00 0.00 C ATOM 6 CG MET A 1 7.949 -3.796 -2.509 1.00 0.00 C ATOM 7 SD MET A 1 6.927 -4.552 -3.802 1.00 0.00 S ATOM 8 CE MET A 1 7.215 -3.370 -5.145 1.00 0.00 C ATOM 0 H1 MET A 1 9.739 -4.891 -0.621 1.00 0.00 H new ATOM 0 H2 MET A 1 11.039 -4.031 0.055 1.00 0.00 H new ATOM 0 H3 MET A 1 9.453 -3.448 0.229 1.00 0.00 H new ATOM 0 HA MET A 1 11.308 -3.204 -1.939 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.646 -3.272 -3.727 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.781 -4.838 -2.952 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.768 -4.317 -1.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.629 -2.764 -2.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.470 -3.519 -5.927 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.137 -2.354 -4.758 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.211 -3.525 -5.559 1.00 0.00 H new ATOM 20 N SER A 2 10.264 -0.845 -2.383 1.00 0.00 N ATOM 21 CA SER A 2 9.930 0.570 -2.337 1.00 0.00 C ATOM 22 C SER A 2 9.826 1.132 -3.754 1.00 0.00 C ATOM 23 O SER A 2 10.441 0.604 -4.680 1.00 0.00 O ATOM 24 CB SER A 2 11.000 1.315 -1.535 1.00 0.00 C ATOM 25 OG SER A 2 10.645 2.677 -1.413 1.00 0.00 O ATOM 0 H SER A 2 10.839 -1.106 -3.184 1.00 0.00 H new ATOM 0 HA SER A 2 8.964 0.703 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.104 0.867 -0.547 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.967 1.225 -2.030 1.00 0.00 H new ATOM 0 HG SER A 2 11.332 3.149 -0.898 1.00 0.00 H new ATOM 31 N ALA A 3 9.042 2.200 -3.920 1.00 0.00 N ATOM 32 CA ALA A 3 8.840 2.844 -5.208 1.00 0.00 C ATOM 33 C ALA A 3 8.460 4.308 -5.013 1.00 0.00 C ATOM 34 O ALA A 3 8.105 4.728 -3.912 1.00 0.00 O ATOM 35 CB ALA A 3 7.737 2.103 -5.969 1.00 0.00 C ATOM 0 H ALA A 3 8.529 2.640 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 3 9.765 2.807 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.579 2.580 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.033 1.065 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.812 2.136 -5.393 1.00 0.00 H new ATOM 41 N LEU A 4 8.538 5.087 -6.096 1.00 0.00 N ATOM 42 CA LEU A 4 8.212 6.501 -6.082 1.00 0.00 C ATOM 43 C LEU A 4 7.501 6.897 -7.376 1.00 0.00 C ATOM 44 O LEU A 4 7.998 7.698 -8.165 1.00 0.00 O ATOM 45 CB LEU A 4 9.455 7.356 -5.792 1.00 0.00 C ATOM 46 CG LEU A 4 10.651 7.130 -6.726 1.00 0.00 C ATOM 47 CD1 LEU A 4 11.568 8.347 -6.636 1.00 0.00 C ATOM 48 CD2 LEU A 4 11.483 5.908 -6.333 1.00 0.00 C ATOM 0 H LEU A 4 8.832 4.744 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 4 7.516 6.695 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.171 8.407 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.775 7.163 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 4 10.255 6.972 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.426 8.206 -7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.020 9.239 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.914 8.467 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 4 12.316 5.796 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.869 6.040 -5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.858 5.016 -6.369 1.00 0.00 H new ATOM 60 N THR A 5 6.318 6.321 -7.593 1.00 0.00 N ATOM 61 CA THR A 5 5.493 6.620 -8.757 1.00 0.00 C ATOM 62 C THR A 5 4.843 7.991 -8.648 1.00 0.00 C ATOM 63 O THR A 5 4.148 8.405 -9.573 1.00 0.00 O ATOM 64 CB THR A 5 4.399 5.562 -8.910 1.00 0.00 C ATOM 65 OG1 THR A 5 3.992 5.082 -7.648 1.00 0.00 O ATOM 66 CG2 THR A 5 4.903 4.399 -9.756 1.00 0.00 C ATOM 0 H THR A 5 5.907 5.632 -6.963 1.00 0.00 H new ATOM 0 HA THR A 5 6.146 6.615 -9.630 1.00 0.00 H new ATOM 0 HB THR A 5 3.546 6.026 -9.405 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.291 4.408 -7.765 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.114 3.654 -9.857 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.186 4.763 -10.744 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.770 3.947 -9.274 1.00 0.00 H new ATOM 74 N GLN A 6 5.056 8.701 -7.540 1.00 0.00 N ATOM 75 CA GLN A 6 4.410 9.981 -7.315 1.00 0.00 C ATOM 76 C GLN A 6 5.440 11.066 -7.054 1.00 0.00 C ATOM 77 O GLN A 6 6.103 11.064 -6.014 1.00 0.00 O ATOM 78 CB GLN A 6 3.410 9.822 -6.171 1.00 0.00 C ATOM 79 CG GLN A 6 2.493 8.638 -6.497 1.00 0.00 C ATOM 80 CD GLN A 6 1.340 8.457 -5.525 1.00 0.00 C ATOM 81 OE1 GLN A 6 1.167 9.208 -4.571 1.00 0.00 O ATOM 82 NE2 GLN A 6 0.536 7.431 -5.786 1.00 0.00 N ATOM 0 H GLN A 6 5.675 8.404 -6.785 1.00 0.00 H new ATOM 0 HA GLN A 6 3.865 10.297 -8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.933 9.650 -5.230 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.825 10.733 -6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.090 8.771 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.088 7.725 -6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.718 6.832 -6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.263 7.243 -5.181 1.00 0.00 H new ATOM 91 N ILE A 7 5.561 11.989 -8.012 1.00 0.00 N ATOM 92 CA ILE A 7 6.610 12.999 -8.028 1.00 0.00 C ATOM 93 C ILE A 7 6.019 14.405 -7.983 1.00 0.00 C ATOM 94 O ILE A 7 5.148 14.744 -8.785 1.00 0.00 O ATOM 95 CB ILE A 7 7.458 12.821 -9.296 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.957 11.378 -9.467 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.647 13.784 -9.264 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.738 10.878 -8.255 1.00 0.00 C ATOM 0 H ILE A 7 4.923 12.052 -8.805 1.00 0.00 H new ATOM 0 HA ILE A 7 7.235 12.873 -7.144 1.00 0.00 H new ATOM 0 HB ILE A 7 6.820 13.046 -10.150 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.105 10.721 -9.641 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.591 11.319 -10.352 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.245 13.654 -10.166 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.283 14.810 -9.215 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.261 13.575 -8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.066 9.854 -8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.608 11.515 -8.094 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.099 10.908 -7.373 1.00 0.00 H new ATOM 110 N LEU A 8 6.502 15.221 -7.040 1.00 0.00 N ATOM 111 CA LEU A 8 6.128 16.624 -6.928 1.00 0.00 C ATOM 112 C LEU A 8 7.088 17.445 -7.788 1.00 0.00 C ATOM 113 O LEU A 8 8.295 17.222 -7.747 1.00 0.00 O ATOM 114 CB LEU A 8 6.188 17.035 -5.452 1.00 0.00 C ATOM 115 CG LEU A 8 5.221 18.152 -5.048 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.502 18.542 -3.598 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.348 19.407 -5.906 1.00 0.00 C ATOM 0 H LEU A 8 7.169 14.918 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 8 5.112 16.798 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.982 16.158 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.204 17.354 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 8 4.213 17.761 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.820 19.337 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.356 17.675 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.530 18.892 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.634 20.156 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.359 19.805 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.142 19.158 -6.947 1.00 0.00 H new ATOM 129 N ILE A 9 6.565 18.394 -8.567 1.00 0.00 N ATOM 130 CA ILE A 9 7.367 19.226 -9.449 1.00 0.00 C ATOM 131 C ILE A 9 7.551 20.612 -8.829 1.00 0.00 C ATOM 132 O ILE A 9 6.587 21.202 -8.343 1.00 0.00 O ATOM 133 CB ILE A 9 6.679 19.310 -10.818 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.438 17.911 -11.397 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.548 20.128 -11.777 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.553 17.978 -12.644 1.00 0.00 C ATOM 0 H ILE A 9 5.567 18.603 -8.600 1.00 0.00 H new ATOM 0 HA ILE A 9 8.356 18.789 -9.584 1.00 0.00 H new ATOM 0 HB ILE A 9 5.712 19.797 -10.692 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.392 17.448 -11.649 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.966 17.279 -10.645 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.059 20.188 -12.750 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.685 21.133 -11.377 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.520 19.647 -11.888 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.398 16.972 -13.035 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.591 18.419 -12.384 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.039 18.591 -13.403 1.00 0.00 H new ATOM 148 N VAL A 10 8.780 21.138 -8.851 1.00 0.00 N ATOM 149 CA VAL A 10 9.063 22.463 -8.317 1.00 0.00 C ATOM 150 C VAL A 10 9.890 23.266 -9.318 1.00 0.00 C ATOM 151 O VAL A 10 11.082 23.007 -9.488 1.00 0.00 O ATOM 152 CB VAL A 10 9.800 22.345 -6.979 1.00 0.00 C ATOM 153 CG1 VAL A 10 9.938 23.729 -6.348 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.057 21.427 -6.007 1.00 0.00 C ATOM 0 H VAL A 10 9.594 20.659 -9.236 1.00 0.00 H new ATOM 0 HA VAL A 10 8.122 22.986 -8.148 1.00 0.00 H new ATOM 0 HB VAL A 10 10.782 21.916 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.462 23.644 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.502 24.379 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.948 24.153 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.609 21.367 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.061 21.828 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.971 20.431 -6.441 1.00 0.00 H new ATOM 164 N GLU A 11 9.256 24.240 -9.978 1.00 0.00 N ATOM 165 CA GLU A 11 9.886 25.078 -10.995 1.00 0.00 C ATOM 166 C GLU A 11 9.247 26.463 -11.018 1.00 0.00 C ATOM 167 O GLU A 11 8.155 26.654 -10.485 1.00 0.00 O ATOM 168 CB GLU A 11 9.729 24.446 -12.381 1.00 0.00 C ATOM 169 CG GLU A 11 10.480 23.122 -12.502 1.00 0.00 C ATOM 170 CD GLU A 11 10.483 22.654 -13.953 1.00 0.00 C ATOM 171 OE1 GLU A 11 11.437 23.035 -14.670 1.00 0.00 O ATOM 172 OE2 GLU A 11 9.544 21.923 -14.328 1.00 0.00 O ATOM 0 H GLU A 11 8.275 24.470 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 11 10.944 25.165 -10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.671 24.281 -12.585 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.095 25.140 -13.138 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.504 23.242 -12.148 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.010 22.369 -11.869 1.00 0.00 H new ATOM 179 N ASP A 12 9.925 27.432 -11.638 1.00 0.00 N ATOM 180 CA ASP A 12 9.407 28.790 -11.782 1.00 0.00 C ATOM 181 C ASP A 12 9.109 29.108 -13.248 1.00 0.00 C ATOM 182 O ASP A 12 8.437 30.093 -13.545 1.00 0.00 O ATOM 183 CB ASP A 12 10.425 29.771 -11.201 1.00 0.00 C ATOM 184 CG ASP A 12 9.921 31.212 -11.253 1.00 0.00 C ATOM 185 OD1 ASP A 12 10.581 32.032 -11.932 1.00 0.00 O ATOM 186 OD2 ASP A 12 8.880 31.484 -10.613 1.00 0.00 O ATOM 0 H ASP A 12 10.847 27.295 -12.053 1.00 0.00 H new ATOM 0 HA ASP A 12 8.468 28.881 -11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.642 29.499 -10.168 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.361 29.693 -11.755 1.00 0.00 H new ATOM 191 N GLU A 13 9.602 28.279 -14.173 1.00 0.00 N ATOM 192 CA GLU A 13 9.372 28.469 -15.598 1.00 0.00 C ATOM 193 C GLU A 13 8.030 27.844 -15.991 1.00 0.00 C ATOM 194 O GLU A 13 7.790 26.672 -15.695 1.00 0.00 O ATOM 195 CB GLU A 13 10.516 27.848 -16.404 1.00 0.00 C ATOM 196 CG GLU A 13 11.849 28.571 -16.190 1.00 0.00 C ATOM 197 CD GLU A 13 12.420 28.395 -14.782 1.00 0.00 C ATOM 198 OE1 GLU A 13 13.116 29.330 -14.329 1.00 0.00 O ATOM 199 OE2 GLU A 13 12.158 27.332 -14.176 1.00 0.00 O ATOM 0 H GLU A 13 10.169 27.461 -13.950 1.00 0.00 H new ATOM 0 HA GLU A 13 9.339 29.536 -15.819 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.626 26.801 -16.123 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.262 27.869 -17.464 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.574 28.202 -16.916 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.712 29.634 -16.388 1.00 0.00 H new ATOM 206 N PRO A 14 7.146 28.603 -16.653 1.00 0.00 N ATOM 207 CA PRO A 14 5.807 28.156 -16.994 1.00 0.00 C ATOM 208 C PRO A 14 5.784 27.234 -18.212 1.00 0.00 C ATOM 209 O PRO A 14 4.771 26.581 -18.453 1.00 0.00 O ATOM 210 CB PRO A 14 5.041 29.446 -17.280 1.00 0.00 C ATOM 211 CG PRO A 14 6.114 30.349 -17.882 1.00 0.00 C ATOM 212 CD PRO A 14 7.363 29.971 -17.089 1.00 0.00 C ATOM 0 HA PRO A 14 5.371 27.566 -16.188 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.216 29.281 -17.973 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.615 29.873 -16.372 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.243 30.167 -18.949 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.866 31.404 -17.766 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.258 30.049 -17.706 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.504 30.637 -16.237 1.00 0.00 H new ATOM 220 N LEU A 15 6.875 27.165 -18.984 1.00 0.00 N ATOM 221 CA LEU A 15 6.901 26.369 -20.203 1.00 0.00 C ATOM 222 C LEU A 15 7.451 24.966 -19.955 1.00 0.00 C ATOM 223 O LEU A 15 6.952 24.000 -20.532 1.00 0.00 O ATOM 224 CB LEU A 15 7.727 27.095 -21.268 1.00 0.00 C ATOM 225 CG LEU A 15 7.163 28.476 -21.619 1.00 0.00 C ATOM 226 CD1 LEU A 15 8.047 29.120 -22.680 1.00 0.00 C ATOM 227 CD2 LEU A 15 5.742 28.372 -22.169 1.00 0.00 C ATOM 0 H LEU A 15 7.748 27.653 -18.781 1.00 0.00 H new ATOM 0 HA LEU A 15 5.877 26.250 -20.556 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.752 27.206 -20.913 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.766 26.484 -22.170 1.00 0.00 H new ATOM 0 HG LEU A 15 7.143 29.077 -20.710 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.652 30.103 -22.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.061 29.225 -22.294 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.062 28.493 -23.571 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.371 29.368 -22.408 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.745 27.760 -23.071 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.095 27.914 -21.421 1.00 0.00 H new ATOM 239 N ILE A 16 8.471 24.837 -19.102 1.00 0.00 N ATOM 240 CA ILE A 16 9.081 23.537 -18.844 1.00 0.00 C ATOM 241 C ILE A 16 8.170 22.724 -17.926 1.00 0.00 C ATOM 242 O ILE A 16 8.174 21.496 -17.983 1.00 0.00 O ATOM 243 CB ILE A 16 10.484 23.717 -18.243 1.00 0.00 C ATOM 244 CG1 ILE A 16 11.517 24.232 -19.263 1.00 0.00 C ATOM 245 CG2 ILE A 16 11.016 22.372 -17.748 1.00 0.00 C ATOM 246 CD1 ILE A 16 11.216 25.627 -19.811 1.00 0.00 C ATOM 0 H ILE A 16 8.886 25.611 -18.584 1.00 0.00 H new ATOM 0 HA ILE A 16 9.198 22.991 -19.780 1.00 0.00 H new ATOM 0 HB ILE A 16 10.368 24.446 -17.441 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.500 24.243 -18.793 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.570 23.530 -20.096 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.011 22.508 -17.324 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.347 21.975 -16.985 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.070 21.673 -18.582 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.991 25.914 -20.522 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.248 25.620 -20.313 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.194 26.343 -18.990 1.00 0.00 H new ATOM 258 N ALA A 17 7.387 23.404 -17.082 1.00 0.00 N ATOM 259 CA ALA A 17 6.471 22.732 -16.175 1.00 0.00 C ATOM 260 C ALA A 17 5.316 22.083 -16.943 1.00 0.00 C ATOM 261 O ALA A 17 4.705 21.136 -16.450 1.00 0.00 O ATOM 262 CB ALA A 17 5.951 23.753 -15.163 1.00 0.00 C ATOM 0 H ALA A 17 7.375 24.422 -17.014 1.00 0.00 H new ATOM 0 HA ALA A 17 6.996 21.933 -15.651 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.262 23.264 -14.474 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.788 24.170 -14.603 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.432 24.554 -15.689 1.00 0.00 H new ATOM 268 N MET A 18 5.012 22.584 -18.145 1.00 0.00 N ATOM 269 CA MET A 18 3.961 22.009 -18.971 1.00 0.00 C ATOM 270 C MET A 18 4.499 20.841 -19.791 1.00 0.00 C ATOM 271 O MET A 18 3.744 19.931 -20.126 1.00 0.00 O ATOM 272 CB MET A 18 3.370 23.089 -19.884 1.00 0.00 C ATOM 273 CG MET A 18 2.636 24.143 -19.059 1.00 0.00 C ATOM 274 SD MET A 18 1.896 25.460 -20.055 1.00 0.00 S ATOM 275 CE MET A 18 1.207 26.467 -18.718 1.00 0.00 C ATOM 0 H MET A 18 5.483 23.387 -18.562 1.00 0.00 H new ATOM 0 HA MET A 18 3.172 21.627 -18.323 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.165 23.560 -20.462 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.683 22.634 -20.598 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.853 23.656 -18.477 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.333 24.586 -18.348 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.704 27.337 -19.140 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.491 25.875 -18.148 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.011 26.796 -18.059 1.00 0.00 H new ATOM 285 N MET A 19 5.796 20.852 -20.112 1.00 0.00 N ATOM 286 CA MET A 19 6.417 19.741 -20.819 1.00 0.00 C ATOM 287 C MET A 19 6.690 18.586 -19.863 1.00 0.00 C ATOM 288 O MET A 19 6.701 17.430 -20.279 1.00 0.00 O ATOM 289 CB MET A 19 7.714 20.208 -21.475 1.00 0.00 C ATOM 290 CG MET A 19 7.440 21.201 -22.608 1.00 0.00 C ATOM 291 SD MET A 19 6.379 20.576 -23.937 1.00 0.00 S ATOM 292 CE MET A 19 7.333 19.122 -24.449 1.00 0.00 C ATOM 0 H MET A 19 6.431 21.619 -19.892 1.00 0.00 H new ATOM 0 HA MET A 19 5.735 19.389 -21.593 1.00 0.00 H new ATOM 0 HB2 MET A 19 8.355 20.675 -20.727 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.256 19.347 -21.866 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.978 22.093 -22.185 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.393 21.509 -23.039 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.253 18.996 -25.529 1.00 0.00 H new ATOM 0 HE2 MET A 19 8.379 19.259 -24.176 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.941 18.236 -23.951 1.00 0.00 H new ATOM 302 N LEU A 20 6.906 18.883 -18.578 1.00 0.00 N ATOM 303 CA LEU A 20 7.147 17.852 -17.581 1.00 0.00 C ATOM 304 C LEU A 20 5.829 17.202 -17.160 1.00 0.00 C ATOM 305 O LEU A 20 5.805 16.023 -16.820 1.00 0.00 O ATOM 306 CB LEU A 20 7.886 18.490 -16.406 1.00 0.00 C ATOM 307 CG LEU A 20 8.124 17.533 -15.235 1.00 0.00 C ATOM 308 CD1 LEU A 20 8.746 16.183 -15.578 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.086 18.217 -14.274 1.00 0.00 C ATOM 0 H LEU A 20 6.918 19.834 -18.209 1.00 0.00 H new ATOM 0 HA LEU A 20 7.766 17.054 -17.990 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.847 18.869 -16.755 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.315 19.348 -16.052 1.00 0.00 H new ATOM 0 HG LEU A 20 7.133 17.321 -14.833 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.865 15.595 -14.668 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.097 15.649 -16.272 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.721 16.338 -16.039 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.279 17.562 -13.425 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.023 18.430 -14.788 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.646 19.149 -13.920 1.00 0.00 H new ATOM 321 N GLU A 21 4.722 17.949 -17.181 1.00 0.00 N ATOM 322 CA GLU A 21 3.416 17.363 -16.908 1.00 0.00 C ATOM 323 C GLU A 21 2.984 16.502 -18.094 1.00 0.00 C ATOM 324 O GLU A 21 2.214 15.556 -17.926 1.00 0.00 O ATOM 325 CB GLU A 21 2.403 18.481 -16.646 1.00 0.00 C ATOM 326 CG GLU A 21 2.550 19.049 -15.234 1.00 0.00 C ATOM 327 CD GLU A 21 1.913 18.119 -14.202 1.00 0.00 C ATOM 328 OE1 GLU A 21 0.778 18.433 -13.773 1.00 0.00 O ATOM 329 OE2 GLU A 21 2.555 17.106 -13.845 1.00 0.00 O ATOM 0 H GLU A 21 4.707 18.949 -17.382 1.00 0.00 H new ATOM 0 HA GLU A 21 3.470 16.728 -16.024 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.542 19.278 -17.376 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.392 18.097 -16.782 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.606 19.187 -15.002 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.081 20.032 -15.182 1.00 0.00 H new ATOM 336 N ASP A 22 3.476 16.819 -19.295 1.00 0.00 N ATOM 337 CA ASP A 22 3.164 16.039 -20.481 1.00 0.00 C ATOM 338 C ASP A 22 3.988 14.756 -20.508 1.00 0.00 C ATOM 339 O ASP A 22 3.501 13.722 -20.959 1.00 0.00 O ATOM 340 CB ASP A 22 3.433 16.888 -21.724 1.00 0.00 C ATOM 341 CG ASP A 22 3.074 16.130 -22.997 1.00 0.00 C ATOM 342 OD1 ASP A 22 1.861 15.993 -23.268 1.00 0.00 O ATOM 343 OD2 ASP A 22 4.018 15.695 -23.693 1.00 0.00 O ATOM 0 H ASP A 22 4.093 17.613 -19.465 1.00 0.00 H new ATOM 0 HA ASP A 22 2.112 15.756 -20.465 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.853 17.810 -21.671 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.484 17.174 -21.752 1.00 0.00 H new ATOM 348 N PHE A 23 5.236 14.798 -20.027 1.00 0.00 N ATOM 349 CA PHE A 23 6.068 13.603 -20.008 1.00 0.00 C ATOM 350 C PHE A 23 5.621 12.622 -18.930 1.00 0.00 C ATOM 351 O PHE A 23 5.841 11.422 -19.077 1.00 0.00 O ATOM 352 CB PHE A 23 7.529 14.002 -19.808 1.00 0.00 C ATOM 353 CG PHE A 23 8.122 14.853 -20.913 1.00 0.00 C ATOM 354 CD1 PHE A 23 7.515 14.932 -22.178 1.00 0.00 C ATOM 355 CD2 PHE A 23 9.304 15.565 -20.667 1.00 0.00 C ATOM 356 CE1 PHE A 23 8.093 15.715 -23.189 1.00 0.00 C ATOM 357 CE2 PHE A 23 9.894 16.324 -21.686 1.00 0.00 C ATOM 358 CZ PHE A 23 9.284 16.409 -22.944 1.00 0.00 C ATOM 0 H PHE A 23 5.681 15.636 -19.652 1.00 0.00 H new ATOM 0 HA PHE A 23 5.961 13.094 -20.966 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.615 14.545 -18.867 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.126 13.096 -19.709 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.602 14.389 -22.372 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.761 15.528 -19.689 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.619 15.782 -24.157 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.822 16.845 -21.501 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.731 17.008 -23.723 1.00 0.00 H new ATOM 368 N LEU A 24 4.997 13.100 -17.848 1.00 0.00 N ATOM 369 CA LEU A 24 4.512 12.199 -16.813 1.00 0.00 C ATOM 370 C LEU A 24 3.192 11.551 -17.231 1.00 0.00 C ATOM 371 O LEU A 24 2.801 10.536 -16.659 1.00 0.00 O ATOM 372 CB LEU A 24 4.375 12.963 -15.492 1.00 0.00 C ATOM 373 CG LEU A 24 5.736 13.401 -14.937 1.00 0.00 C ATOM 374 CD1 LEU A 24 5.516 14.288 -13.717 1.00 0.00 C ATOM 375 CD2 LEU A 24 6.591 12.210 -14.510 1.00 0.00 C ATOM 0 H LEU A 24 4.821 14.089 -17.673 1.00 0.00 H new ATOM 0 HA LEU A 24 5.232 11.393 -16.671 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.746 13.840 -15.644 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.871 12.333 -14.759 1.00 0.00 H new ATOM 0 HG LEU A 24 6.258 13.936 -15.731 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.480 14.603 -13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.938 15.166 -14.005 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.972 13.730 -12.955 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.545 12.567 -14.123 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.072 11.649 -13.733 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.767 11.562 -15.369 1.00 0.00 H new ATOM 387 N GLU A 25 2.503 12.122 -18.222 1.00 0.00 N ATOM 388 CA GLU A 25 1.279 11.539 -18.746 1.00 0.00 C ATOM 389 C GLU A 25 1.587 10.490 -19.818 1.00 0.00 C ATOM 390 O GLU A 25 0.825 9.541 -19.990 1.00 0.00 O ATOM 391 CB GLU A 25 0.404 12.665 -19.305 1.00 0.00 C ATOM 392 CG GLU A 25 -0.961 12.137 -19.753 1.00 0.00 C ATOM 393 CD GLU A 25 -1.856 13.272 -20.237 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.516 13.899 -19.378 1.00 0.00 O ATOM 395 OE2 GLU A 25 -1.876 13.510 -21.466 1.00 0.00 O ATOM 0 H GLU A 25 2.779 12.993 -18.676 1.00 0.00 H new ATOM 0 HA GLU A 25 0.743 11.027 -17.947 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.267 13.434 -18.545 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.909 13.136 -20.148 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.828 11.408 -20.553 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.443 11.617 -18.925 1.00 0.00 H new ATOM 402 N VAL A 26 2.703 10.657 -20.538 1.00 0.00 N ATOM 403 CA VAL A 26 3.099 9.736 -21.600 1.00 0.00 C ATOM 404 C VAL A 26 3.875 8.544 -21.043 1.00 0.00 C ATOM 405 O VAL A 26 3.941 7.497 -21.687 1.00 0.00 O ATOM 406 CB VAL A 26 3.908 10.505 -22.653 1.00 0.00 C ATOM 407 CG1 VAL A 26 4.497 9.580 -23.720 1.00 0.00 C ATOM 408 CG2 VAL A 26 2.995 11.509 -23.359 1.00 0.00 C ATOM 0 H VAL A 26 3.351 11.432 -20.399 1.00 0.00 H new ATOM 0 HA VAL A 26 2.207 9.326 -22.073 1.00 0.00 H new ATOM 0 HB VAL A 26 4.725 11.002 -22.130 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.061 10.170 -24.442 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.160 8.855 -23.247 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.691 9.054 -24.231 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.567 12.057 -24.108 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.177 10.978 -23.845 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.590 12.209 -22.628 1.00 0.00 H new ATOM 418 N LEU A 27 4.468 8.686 -19.853 1.00 0.00 N ATOM 419 CA LEU A 27 5.257 7.630 -19.231 1.00 0.00 C ATOM 420 C LEU A 27 4.433 6.831 -18.220 1.00 0.00 C ATOM 421 O LEU A 27 5.000 6.124 -17.386 1.00 0.00 O ATOM 422 CB LEU A 27 6.527 8.223 -18.614 1.00 0.00 C ATOM 423 CG LEU A 27 7.451 8.837 -19.671 1.00 0.00 C ATOM 424 CD1 LEU A 27 8.613 9.547 -18.978 1.00 0.00 C ATOM 425 CD2 LEU A 27 8.022 7.766 -20.600 1.00 0.00 C ATOM 0 H LEU A 27 4.411 9.539 -19.297 1.00 0.00 H new ATOM 0 HA LEU A 27 5.560 6.919 -20.000 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.253 8.986 -17.886 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.064 7.444 -18.073 1.00 0.00 H new ATOM 0 HG LEU A 27 6.865 9.540 -20.262 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.272 9.985 -19.728 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.225 10.335 -18.332 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.173 8.829 -18.378 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.673 8.234 -21.338 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.595 7.046 -20.016 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.206 7.253 -21.109 1.00 0.00 H new ATOM 437 N ASP A 28 3.100 6.937 -18.284 1.00 0.00 N ATOM 438 CA ASP A 28 2.194 6.233 -17.382 1.00 0.00 C ATOM 439 C ASP A 28 2.558 6.461 -15.910 1.00 0.00 C ATOM 440 O ASP A 28 2.406 5.573 -15.071 1.00 0.00 O ATOM 441 CB ASP A 28 2.115 4.755 -17.771 1.00 0.00 C ATOM 442 CG ASP A 28 0.996 4.020 -17.027 1.00 0.00 C ATOM 443 OD1 ASP A 28 -0.117 4.587 -16.947 1.00 0.00 O ATOM 444 OD2 ASP A 28 1.262 2.895 -16.548 1.00 0.00 O ATOM 0 H ASP A 28 2.621 7.520 -18.970 1.00 0.00 H new ATOM 0 HA ASP A 28 1.192 6.649 -17.491 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.950 4.672 -18.845 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.069 4.273 -17.557 1.00 0.00 H new ATOM 449 N LYS A 29 3.049 7.665 -15.600 1.00 0.00 N ATOM 450 CA LYS A 29 3.452 8.051 -14.256 1.00 0.00 C ATOM 451 C LYS A 29 2.240 8.566 -13.483 1.00 0.00 C ATOM 452 O LYS A 29 1.206 8.855 -14.081 1.00 0.00 O ATOM 453 CB LYS A 29 4.556 9.115 -14.380 1.00 0.00 C ATOM 454 CG LYS A 29 5.832 8.738 -13.622 1.00 0.00 C ATOM 455 CD LYS A 29 5.592 8.710 -12.117 1.00 0.00 C ATOM 456 CE LYS A 29 6.919 8.689 -11.358 1.00 0.00 C ATOM 457 NZ LYS A 29 7.720 7.497 -11.687 1.00 0.00 N ATOM 0 H LYS A 29 3.177 8.405 -16.290 1.00 0.00 H new ATOM 0 HA LYS A 29 3.846 7.200 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.795 9.263 -15.433 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.182 10.066 -14.001 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.181 7.761 -13.955 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.621 9.454 -13.854 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.011 9.583 -11.820 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.003 7.831 -11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.489 9.587 -11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.725 8.711 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.640 7.553 -11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.216 6.643 -11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.870 7.452 -12.715 1.00 0.00 H new ATOM 471 N THR A 30 2.360 8.682 -12.155 1.00 0.00 N ATOM 472 CA THR A 30 1.276 9.155 -11.305 1.00 0.00 C ATOM 473 C THR A 30 1.664 10.477 -10.641 1.00 0.00 C ATOM 474 O THR A 30 2.032 10.495 -9.470 1.00 0.00 O ATOM 475 CB THR A 30 0.912 8.075 -10.275 1.00 0.00 C ATOM 476 OG1 THR A 30 0.639 6.861 -10.942 1.00 0.00 O ATOM 477 CG2 THR A 30 -0.347 8.469 -9.497 1.00 0.00 C ATOM 0 H THR A 30 3.213 8.449 -11.646 1.00 0.00 H new ATOM 0 HA THR A 30 0.390 9.345 -11.911 1.00 0.00 H new ATOM 0 HB THR A 30 1.752 7.967 -9.589 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.408 6.171 -10.285 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.586 7.690 -8.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.172 9.409 -8.974 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.180 8.589 -10.190 1.00 0.00 H new ATOM 485 N PRO A 31 1.597 11.600 -11.371 1.00 0.00 N ATOM 486 CA PRO A 31 1.968 12.913 -10.863 1.00 0.00 C ATOM 487 C PRO A 31 1.022 13.339 -9.741 1.00 0.00 C ATOM 488 O PRO A 31 -0.080 12.803 -9.623 1.00 0.00 O ATOM 489 CB PRO A 31 1.881 13.852 -12.066 1.00 0.00 C ATOM 490 CG PRO A 31 0.852 13.174 -12.971 1.00 0.00 C ATOM 491 CD PRO A 31 1.144 11.692 -12.745 1.00 0.00 C ATOM 0 HA PRO A 31 2.969 12.922 -10.431 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.561 14.852 -11.773 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.845 13.958 -12.563 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.169 13.434 -12.692 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.979 13.459 -14.015 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.253 11.086 -12.907 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.906 11.331 -13.436 1.00 0.00 H new ATOM 499 N VAL A 32 1.453 14.303 -8.919 1.00 0.00 N ATOM 500 CA VAL A 32 0.679 14.730 -7.758 1.00 0.00 C ATOM 501 C VAL A 32 0.453 16.239 -7.720 1.00 0.00 C ATOM 502 O VAL A 32 -0.519 16.686 -7.115 1.00 0.00 O ATOM 503 CB VAL A 32 1.369 14.255 -6.474 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.495 12.734 -6.469 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.777 14.824 -6.329 1.00 0.00 C ATOM 0 H VAL A 32 2.335 14.800 -9.041 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.307 14.272 -7.837 1.00 0.00 H new ATOM 0 HB VAL A 32 0.749 14.605 -5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.987 12.413 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.503 12.287 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.086 12.415 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.224 14.458 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.386 14.508 -7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.729 15.913 -6.303 1.00 0.00 H new ATOM 515 N GLY A 33 1.324 17.030 -8.350 1.00 0.00 N ATOM 516 CA GLY A 33 1.139 18.472 -8.395 1.00 0.00 C ATOM 517 C GLY A 33 2.404 19.212 -8.809 1.00 0.00 C ATOM 518 O GLY A 33 3.459 18.609 -9.008 1.00 0.00 O ATOM 0 H GLY A 33 2.158 16.694 -8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.338 18.710 -9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.821 18.825 -7.414 1.00 0.00 H new ATOM 522 N THR A 34 2.281 20.534 -8.934 1.00 0.00 N ATOM 523 CA THR A 34 3.386 21.427 -9.247 1.00 0.00 C ATOM 524 C THR A 34 3.276 22.669 -8.367 1.00 0.00 C ATOM 525 O THR A 34 2.174 23.150 -8.115 1.00 0.00 O ATOM 526 CB THR A 34 3.356 21.815 -10.730 1.00 0.00 C ATOM 527 OG1 THR A 34 3.370 20.658 -11.535 1.00 0.00 O ATOM 528 CG2 THR A 34 4.564 22.676 -11.095 1.00 0.00 C ATOM 0 H THR A 34 1.391 21.019 -8.817 1.00 0.00 H new ATOM 0 HA THR A 34 4.333 20.923 -9.052 1.00 0.00 H new ATOM 0 HB THR A 34 2.443 22.383 -10.905 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.349 20.917 -12.480 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.518 22.937 -12.152 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.556 23.586 -10.496 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.480 22.119 -10.898 1.00 0.00 H new ATOM 536 N VAL A 35 4.415 23.185 -7.899 1.00 0.00 N ATOM 537 CA VAL A 35 4.452 24.376 -7.057 1.00 0.00 C ATOM 538 C VAL A 35 5.581 25.299 -7.502 1.00 0.00 C ATOM 539 O VAL A 35 6.526 24.864 -8.159 1.00 0.00 O ATOM 540 CB VAL A 35 4.595 23.989 -5.580 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.367 23.214 -5.103 1.00 0.00 C ATOM 542 CG2 VAL A 35 5.837 23.129 -5.343 1.00 0.00 C ATOM 0 H VAL A 35 5.334 22.788 -8.094 1.00 0.00 H new ATOM 0 HA VAL A 35 3.511 24.915 -7.167 1.00 0.00 H new ATOM 0 HB VAL A 35 4.691 24.917 -5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.489 22.949 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.478 23.833 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.257 22.306 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.906 22.874 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.765 22.215 -5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.726 23.684 -5.641 1.00 0.00 H new ATOM 552 N ASP A 36 5.483 26.582 -7.140 1.00 0.00 N ATOM 553 CA ASP A 36 6.440 27.597 -7.560 1.00 0.00 C ATOM 554 C ASP A 36 7.469 27.899 -6.471 1.00 0.00 C ATOM 555 O ASP A 36 8.411 28.655 -6.711 1.00 0.00 O ATOM 556 CB ASP A 36 5.683 28.868 -7.956 1.00 0.00 C ATOM 557 CG ASP A 36 4.673 28.606 -9.069 1.00 0.00 C ATOM 558 OD1 ASP A 36 5.083 28.655 -10.250 1.00 0.00 O ATOM 559 OD2 ASP A 36 3.493 28.359 -8.726 1.00 0.00 O ATOM 0 H ASP A 36 4.735 26.941 -6.547 1.00 0.00 H new ATOM 0 HA ASP A 36 6.993 27.214 -8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.166 29.269 -7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.394 29.627 -8.282 1.00 0.00 H new ATOM 564 N THR A 37 7.302 27.321 -5.279 1.00 0.00 N ATOM 565 CA THR A 37 8.196 27.550 -4.152 1.00 0.00 C ATOM 566 C THR A 37 8.383 26.269 -3.352 1.00 0.00 C ATOM 567 O THR A 37 7.584 25.340 -3.454 1.00 0.00 O ATOM 568 CB THR A 37 7.642 28.645 -3.236 1.00 0.00 C ATOM 569 OG1 THR A 37 6.403 28.235 -2.701 1.00 0.00 O ATOM 570 CG2 THR A 37 7.448 29.966 -3.977 1.00 0.00 C ATOM 0 H THR A 37 6.537 26.678 -5.072 1.00 0.00 H new ATOM 0 HA THR A 37 9.160 27.871 -4.548 1.00 0.00 H new ATOM 0 HB THR A 37 8.370 28.804 -2.440 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.052 28.937 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.054 30.714 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.405 30.305 -4.372 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.746 29.823 -4.799 1.00 0.00 H new ATOM 578 N VAL A 38 9.450 26.221 -2.549 1.00 0.00 N ATOM 579 CA VAL A 38 9.719 25.079 -1.684 1.00 0.00 C ATOM 580 C VAL A 38 8.769 25.068 -0.491 1.00 0.00 C ATOM 581 O VAL A 38 8.543 24.017 0.106 1.00 0.00 O ATOM 582 CB VAL A 38 11.182 25.082 -1.225 1.00 0.00 C ATOM 583 CG1 VAL A 38 12.089 24.786 -2.419 1.00 0.00 C ATOM 584 CG2 VAL A 38 11.578 26.423 -0.608 1.00 0.00 C ATOM 0 H VAL A 38 10.143 26.967 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 38 9.547 24.167 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 38 11.297 24.313 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.130 24.788 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.839 23.809 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.946 25.550 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.621 26.386 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.448 27.215 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.947 26.626 0.257 1.00 0.00 H new ATOM 594 N ALA A 39 8.205 26.225 -0.133 1.00 0.00 N ATOM 595 CA ALA A 39 7.234 26.296 0.944 1.00 0.00 C ATOM 596 C ALA A 39 5.925 25.635 0.513 1.00 0.00 C ATOM 597 O ALA A 39 5.197 25.092 1.341 1.00 0.00 O ATOM 598 CB ALA A 39 7.016 27.761 1.317 1.00 0.00 C ATOM 0 H ALA A 39 8.409 27.120 -0.577 1.00 0.00 H new ATOM 0 HA ALA A 39 7.604 25.760 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.288 27.826 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.960 28.198 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.644 28.306 0.449 1.00 0.00 H new ATOM 604 N GLY A 40 5.625 25.672 -0.790 1.00 0.00 N ATOM 605 CA GLY A 40 4.456 25.002 -1.338 1.00 0.00 C ATOM 606 C GLY A 40 4.677 23.495 -1.397 1.00 0.00 C ATOM 607 O GLY A 40 3.719 22.727 -1.333 1.00 0.00 O ATOM 0 H GLY A 40 6.186 26.165 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.583 25.223 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.247 25.383 -2.338 1.00 0.00 H new ATOM 611 N ALA A 41 5.936 23.064 -1.518 1.00 0.00 N ATOM 612 CA ALA A 41 6.256 21.648 -1.549 1.00 0.00 C ATOM 613 C ALA A 41 6.113 21.048 -0.152 1.00 0.00 C ATOM 614 O ALA A 41 5.766 19.876 -0.021 1.00 0.00 O ATOM 615 CB ALA A 41 7.676 21.461 -2.085 1.00 0.00 C ATOM 0 H ALA A 41 6.745 23.681 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 41 5.562 21.129 -2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.919 20.399 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.742 21.871 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.381 21.980 -1.436 1.00 0.00 H new ATOM 621 N LEU A 42 6.375 21.841 0.894 1.00 0.00 N ATOM 622 CA LEU A 42 6.218 21.379 2.266 1.00 0.00 C ATOM 623 C LEU A 42 4.739 21.375 2.657 1.00 0.00 C ATOM 624 O LEU A 42 4.348 20.647 3.564 1.00 0.00 O ATOM 625 CB LEU A 42 7.023 22.284 3.200 1.00 0.00 C ATOM 626 CG LEU A 42 8.535 22.153 2.981 1.00 0.00 C ATOM 627 CD1 LEU A 42 9.256 23.183 3.849 1.00 0.00 C ATOM 628 CD2 LEU A 42 9.030 20.758 3.362 1.00 0.00 C ATOM 0 H LEU A 42 6.697 22.805 0.810 1.00 0.00 H new ATOM 0 HA LEU A 42 6.592 20.359 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.724 23.321 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.786 22.037 4.235 1.00 0.00 H new ATOM 0 HG LEU A 42 8.744 22.321 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.332 23.096 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.931 24.185 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.020 23.004 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.105 20.696 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.814 20.570 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.524 20.012 2.749 1.00 0.00 H new ATOM 640 N ALA A 43 3.914 22.180 1.979 1.00 0.00 N ATOM 641 CA ALA A 43 2.487 22.222 2.252 1.00 0.00 C ATOM 642 C ALA A 43 1.762 21.035 1.615 1.00 0.00 C ATOM 643 O ALA A 43 0.696 20.636 2.085 1.00 0.00 O ATOM 644 CB ALA A 43 1.924 23.544 1.738 1.00 0.00 C ATOM 0 H ALA A 43 4.218 22.810 1.237 1.00 0.00 H new ATOM 0 HA ALA A 43 2.328 22.152 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.853 23.586 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.420 24.372 2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.096 23.620 0.664 1.00 0.00 H new ATOM 650 N ARG A 44 2.325 20.465 0.542 1.00 0.00 N ATOM 651 CA ARG A 44 1.770 19.275 -0.091 1.00 0.00 C ATOM 652 C ARG A 44 2.294 17.995 0.556 1.00 0.00 C ATOM 653 O ARG A 44 1.658 16.951 0.447 1.00 0.00 O ATOM 654 CB ARG A 44 2.071 19.298 -1.591 1.00 0.00 C ATOM 655 CG ARG A 44 1.428 20.480 -2.328 1.00 0.00 C ATOM 656 CD ARG A 44 -0.100 20.391 -2.393 1.00 0.00 C ATOM 657 NE ARG A 44 -0.726 20.697 -1.099 1.00 0.00 N ATOM 658 CZ ARG A 44 -1.921 20.239 -0.710 1.00 0.00 C ATOM 659 NH1 ARG A 44 -2.653 19.475 -1.513 1.00 0.00 N ATOM 660 NH2 ARG A 44 -2.382 20.549 0.495 1.00 0.00 N ATOM 0 H ARG A 44 3.172 20.817 0.095 1.00 0.00 H new ATOM 0 HA ARG A 44 0.690 19.283 0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.151 19.334 -1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.720 18.368 -2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.711 21.408 -1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.826 20.528 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.471 21.084 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.391 19.389 -2.709 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.215 21.299 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.306 19.230 -2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.562 19.133 -1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.826 21.134 1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.293 20.203 0.797 1.00 0.00 H new ATOM 674 N VAL A 45 3.443 18.069 1.231 1.00 0.00 N ATOM 675 CA VAL A 45 3.996 16.926 1.947 1.00 0.00 C ATOM 676 C VAL A 45 3.335 16.803 3.319 1.00 0.00 C ATOM 677 O VAL A 45 3.334 15.725 3.907 1.00 0.00 O ATOM 678 CB VAL A 45 5.520 17.076 2.040 1.00 0.00 C ATOM 679 CG1 VAL A 45 6.130 16.089 3.036 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.134 16.795 0.668 1.00 0.00 C ATOM 0 H VAL A 45 4.009 18.915 1.295 1.00 0.00 H new ATOM 0 HA VAL A 45 3.787 16.002 1.408 1.00 0.00 H new ATOM 0 HB VAL A 45 5.731 18.091 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.210 16.229 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.709 16.264 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.906 15.070 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.217 16.900 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.883 15.780 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.739 17.504 -0.059 1.00 0.00 H new ATOM 690 N GLU A 46 2.766 17.896 3.833 1.00 0.00 N ATOM 691 CA GLU A 46 2.042 17.873 5.096 1.00 0.00 C ATOM 692 C GLU A 46 0.681 17.191 4.912 1.00 0.00 C ATOM 693 O GLU A 46 0.044 16.798 5.890 1.00 0.00 O ATOM 694 CB GLU A 46 1.896 19.317 5.590 1.00 0.00 C ATOM 695 CG GLU A 46 1.270 19.375 6.987 1.00 0.00 C ATOM 696 CD GLU A 46 1.268 20.806 7.521 1.00 0.00 C ATOM 697 OE1 GLU A 46 2.201 21.141 8.284 1.00 0.00 O ATOM 698 OE2 GLU A 46 0.332 21.557 7.160 1.00 0.00 O ATOM 0 H GLU A 46 2.796 18.812 3.386 1.00 0.00 H new ATOM 0 HA GLU A 46 2.587 17.297 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.875 19.796 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.279 19.881 4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.249 18.995 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.826 18.729 7.667 1.00 0.00 H new ATOM 705 N ASP A 47 0.240 17.048 3.657 1.00 0.00 N ATOM 706 CA ASP A 47 -1.022 16.410 3.320 1.00 0.00 C ATOM 707 C ASP A 47 -0.802 14.949 2.910 1.00 0.00 C ATOM 708 O ASP A 47 -1.757 14.180 2.809 1.00 0.00 O ATOM 709 CB ASP A 47 -1.699 17.218 2.210 1.00 0.00 C ATOM 710 CG ASP A 47 -3.105 16.702 1.914 1.00 0.00 C ATOM 711 OD1 ASP A 47 -3.350 16.348 0.741 1.00 0.00 O ATOM 712 OD2 ASP A 47 -3.923 16.664 2.859 1.00 0.00 O ATOM 0 H ASP A 47 0.760 17.378 2.844 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.675 16.394 4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.750 18.267 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.095 17.169 1.304 1.00 0.00 H new ATOM 717 N GLY A 48 0.457 14.564 2.673 1.00 0.00 N ATOM 718 CA GLY A 48 0.812 13.219 2.244 1.00 0.00 C ATOM 719 C GLY A 48 0.421 12.973 0.789 1.00 0.00 C ATOM 720 O GLY A 48 0.084 13.909 0.064 1.00 0.00 O ATOM 0 H GLY A 48 1.259 15.186 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.885 13.069 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.315 12.489 2.883 1.00 0.00 H new ATOM 724 N GLY A 49 0.463 11.707 0.362 1.00 0.00 N ATOM 725 CA GLY A 49 0.107 11.343 -1.002 1.00 0.00 C ATOM 726 C GLY A 49 1.231 11.626 -1.998 1.00 0.00 C ATOM 727 O GLY A 49 0.962 11.802 -3.183 1.00 0.00 O ATOM 0 H GLY A 49 0.741 10.919 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.146 10.283 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.785 11.894 -1.300 1.00 0.00 H new ATOM 731 N ILE A 50 2.480 11.667 -1.522 1.00 0.00 N ATOM 732 CA ILE A 50 3.648 11.918 -2.356 1.00 0.00 C ATOM 733 C ILE A 50 4.769 10.963 -1.955 1.00 0.00 C ATOM 734 O ILE A 50 4.876 10.597 -0.782 1.00 0.00 O ATOM 735 CB ILE A 50 4.082 13.385 -2.219 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.891 14.308 -2.521 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.257 13.679 -3.158 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.272 15.790 -2.528 1.00 0.00 C ATOM 0 H ILE A 50 2.705 11.525 -0.537 1.00 0.00 H new ATOM 0 HA ILE A 50 3.404 11.740 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 50 4.413 13.570 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.469 14.042 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.112 14.142 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.556 14.722 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.097 13.033 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.955 13.491 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.390 16.391 -2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.668 16.069 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.030 15.967 -3.291 1.00 0.00 H new ATOM 750 N ASP A 51 5.606 10.554 -2.913 1.00 0.00 N ATOM 751 CA ASP A 51 6.702 9.630 -2.643 1.00 0.00 C ATOM 752 C ASP A 51 8.066 10.276 -2.892 1.00 0.00 C ATOM 753 O ASP A 51 9.051 9.876 -2.275 1.00 0.00 O ATOM 754 CB ASP A 51 6.535 8.379 -3.513 1.00 0.00 C ATOM 755 CG ASP A 51 5.279 7.591 -3.141 1.00 0.00 C ATOM 756 OD1 ASP A 51 4.479 7.314 -4.063 1.00 0.00 O ATOM 757 OD2 ASP A 51 5.128 7.268 -1.942 1.00 0.00 O ATOM 0 H ASP A 51 5.541 10.852 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 51 6.666 9.354 -1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.484 8.670 -4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.411 7.740 -3.402 1.00 0.00 H new ATOM 762 N ALA A 52 8.137 11.271 -3.781 1.00 0.00 N ATOM 763 CA ALA A 52 9.376 11.986 -4.055 1.00 0.00 C ATOM 764 C ALA A 52 9.084 13.334 -4.716 1.00 0.00 C ATOM 765 O ALA A 52 7.932 13.644 -5.022 1.00 0.00 O ATOM 766 CB ALA A 52 10.250 11.132 -4.970 1.00 0.00 C ATOM 0 H ALA A 52 7.339 11.598 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 52 9.898 12.174 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.180 11.659 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.473 10.185 -4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.721 10.941 -5.904 1.00 0.00 H new ATOM 772 N ALA A 53 10.126 14.136 -4.942 1.00 0.00 N ATOM 773 CA ALA A 53 9.979 15.429 -5.594 1.00 0.00 C ATOM 774 C ALA A 53 11.208 15.772 -6.435 1.00 0.00 C ATOM 775 O ALA A 53 12.266 15.165 -6.278 1.00 0.00 O ATOM 776 CB ALA A 53 9.740 16.499 -4.527 1.00 0.00 C ATOM 0 H ALA A 53 11.085 13.907 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 53 9.126 15.389 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.629 17.472 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.833 16.262 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.588 16.526 -3.843 1.00 0.00 H new ATOM 782 N ILE A 54 11.063 16.753 -7.330 1.00 0.00 N ATOM 783 CA ILE A 54 12.158 17.268 -8.144 1.00 0.00 C ATOM 784 C ILE A 54 12.281 18.764 -7.883 1.00 0.00 C ATOM 785 O ILE A 54 11.287 19.487 -7.939 1.00 0.00 O ATOM 786 CB ILE A 54 11.912 16.973 -9.632 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.827 15.458 -9.854 1.00 0.00 C ATOM 788 CG2 ILE A 54 13.050 17.571 -10.471 1.00 0.00 C ATOM 789 CD1 ILE A 54 11.508 15.114 -11.310 1.00 0.00 C ATOM 0 H ILE A 54 10.171 17.214 -7.509 1.00 0.00 H new ATOM 0 HA ILE A 54 13.093 16.776 -7.875 1.00 0.00 H new ATOM 0 HB ILE A 54 10.970 17.426 -9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.772 14.995 -9.570 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.059 15.038 -9.205 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.874 17.361 -11.526 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.087 18.649 -10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.998 17.128 -10.166 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.457 14.031 -11.425 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.550 15.554 -11.586 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.290 15.511 -11.957 1.00 0.00 H new ATOM 801 N LEU A 55 13.505 19.222 -7.601 1.00 0.00 N ATOM 802 CA LEU A 55 13.768 20.605 -7.238 1.00 0.00 C ATOM 803 C LEU A 55 14.584 21.279 -8.334 1.00 0.00 C ATOM 804 O LEU A 55 15.571 20.722 -8.815 1.00 0.00 O ATOM 805 CB LEU A 55 14.529 20.666 -5.905 1.00 0.00 C ATOM 806 CG LEU A 55 13.685 20.441 -4.640 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.692 21.582 -4.446 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.911 19.124 -4.664 1.00 0.00 C ATOM 0 H LEU A 55 14.340 18.636 -7.620 1.00 0.00 H new ATOM 0 HA LEU A 55 12.819 21.129 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.322 19.919 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.011 21.641 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 55 14.393 20.403 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.104 21.404 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.234 22.523 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.027 21.636 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.335 19.024 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.234 19.115 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.611 18.292 -4.747 1.00 0.00 H new ATOM 820 N ASP A 56 14.173 22.486 -8.726 1.00 0.00 N ATOM 821 CA ASP A 56 14.903 23.296 -9.684 1.00 0.00 C ATOM 822 C ASP A 56 15.598 24.446 -8.957 1.00 0.00 C ATOM 823 O ASP A 56 15.174 24.855 -7.875 1.00 0.00 O ATOM 824 CB ASP A 56 13.942 23.788 -10.763 1.00 0.00 C ATOM 825 CG ASP A 56 14.674 24.471 -11.913 1.00 0.00 C ATOM 826 OD1 ASP A 56 14.948 25.683 -11.788 1.00 0.00 O ATOM 827 OD2 ASP A 56 14.954 23.775 -12.915 1.00 0.00 O ATOM 0 H ASP A 56 13.319 22.925 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 56 15.677 22.705 -10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.368 22.945 -11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.229 24.485 -10.323 1.00 0.00 H new ATOM 832 N VAL A 57 16.673 24.977 -9.546 1.00 0.00 N ATOM 833 CA VAL A 57 17.448 26.051 -8.930 1.00 0.00 C ATOM 834 C VAL A 57 16.710 27.390 -8.959 1.00 0.00 C ATOM 835 O VAL A 57 17.133 28.334 -8.291 1.00 0.00 O ATOM 836 CB VAL A 57 18.819 26.162 -9.599 1.00 0.00 C ATOM 837 CG1 VAL A 57 19.606 24.864 -9.403 1.00 0.00 C ATOM 838 CG2 VAL A 57 18.691 26.454 -11.096 1.00 0.00 C ATOM 0 H VAL A 57 17.026 24.676 -10.455 1.00 0.00 H new ATOM 0 HA VAL A 57 17.588 25.796 -7.879 1.00 0.00 H new ATOM 0 HB VAL A 57 19.348 26.991 -9.130 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.581 24.953 -9.883 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.742 24.678 -8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 57 19.057 24.035 -9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.684 26.526 -11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.137 25.649 -11.578 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.161 27.395 -11.239 1.00 0.00 H new ATOM 848 N ASN A 58 15.618 27.486 -9.721 1.00 0.00 N ATOM 849 CA ASN A 58 14.804 28.690 -9.793 1.00 0.00 C ATOM 850 C ASN A 58 13.472 28.484 -9.073 1.00 0.00 C ATOM 851 O ASN A 58 12.879 27.408 -9.145 1.00 0.00 O ATOM 852 CB ASN A 58 14.558 29.074 -11.252 1.00 0.00 C ATOM 853 CG ASN A 58 15.827 29.481 -11.988 1.00 0.00 C ATOM 854 OD1 ASN A 58 16.896 29.608 -11.394 1.00 0.00 O ATOM 855 ND2 ASN A 58 15.718 29.692 -13.296 1.00 0.00 N ATOM 0 H ASN A 58 15.276 26.724 -10.306 1.00 0.00 H new ATOM 0 HA ASN A 58 15.342 29.499 -9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 58 14.100 28.232 -11.770 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.845 29.897 -11.289 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.537 29.968 -13.838 1.00 0.00 H new ATOM 0 HD22 ASN A 58 14.816 29.578 -13.758 1.00 0.00 H new ATOM 862 N LEU A 59 13.011 29.531 -8.383 1.00 0.00 N ATOM 863 CA LEU A 59 11.746 29.550 -7.660 1.00 0.00 C ATOM 864 C LEU A 59 11.125 30.937 -7.786 1.00 0.00 C ATOM 865 O LEU A 59 11.751 31.862 -8.303 1.00 0.00 O ATOM 866 CB LEU A 59 11.981 29.241 -6.179 1.00 0.00 C ATOM 867 CG LEU A 59 12.607 27.868 -5.921 1.00 0.00 C ATOM 868 CD1 LEU A 59 12.953 27.778 -4.440 1.00 0.00 C ATOM 869 CD2 LEU A 59 11.646 26.735 -6.272 1.00 0.00 C ATOM 0 H LEU A 59 13.524 30.410 -8.313 1.00 0.00 H new ATOM 0 HA LEU A 59 11.080 28.797 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.629 30.009 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.029 29.300 -5.651 1.00 0.00 H new ATOM 0 HG LEU A 59 13.493 27.764 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.401 26.807 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.659 28.567 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.046 27.895 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.126 25.776 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.745 26.821 -5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.380 26.798 -7.327 1.00 0.00 H new ATOM 881 N ARG A 60 9.886 31.098 -7.312 1.00 0.00 N ATOM 882 CA ARG A 60 9.250 32.407 -7.281 1.00 0.00 C ATOM 883 C ARG A 60 9.718 33.165 -6.042 1.00 0.00 C ATOM 884 O ARG A 60 9.750 32.604 -4.947 1.00 0.00 O ATOM 885 CB ARG A 60 7.727 32.237 -7.315 1.00 0.00 C ATOM 886 CG ARG A 60 6.997 33.580 -7.403 1.00 0.00 C ATOM 887 CD ARG A 60 7.366 34.330 -8.684 1.00 0.00 C ATOM 888 NE ARG A 60 6.594 35.572 -8.807 1.00 0.00 N ATOM 889 CZ ARG A 60 5.432 35.680 -9.455 1.00 0.00 C ATOM 890 NH1 ARG A 60 4.879 34.626 -10.051 1.00 0.00 N ATOM 891 NH2 ARG A 60 4.809 36.854 -9.510 1.00 0.00 N ATOM 0 H ARG A 60 9.310 30.339 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 60 9.535 32.992 -8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.451 31.619 -8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.402 31.707 -6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.920 33.414 -7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.249 34.191 -6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.432 34.559 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.178 33.694 -9.549 1.00 0.00 H new ATOM 0 HE ARG A 60 6.972 36.411 -8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.344 33.719 -10.017 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.991 34.726 -10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.219 37.671 -9.057 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.921 36.937 -10.005 1.00 0.00 H new ATOM 905 N GLY A 61 10.076 34.438 -6.212 1.00 0.00 N ATOM 906 CA GLY A 61 10.488 35.296 -5.110 1.00 0.00 C ATOM 907 C GLY A 61 11.901 35.008 -4.599 1.00 0.00 C ATOM 908 O GLY A 61 12.327 35.632 -3.626 1.00 0.00 O ATOM 0 H GLY A 61 10.087 34.900 -7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.433 36.336 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.783 35.179 -4.287 1.00 0.00 H new ATOM 912 N GLY A 62 12.637 34.086 -5.227 1.00 0.00 N ATOM 913 CA GLY A 62 13.995 33.775 -4.804 1.00 0.00 C ATOM 914 C GLY A 62 14.661 32.741 -5.710 1.00 0.00 C ATOM 915 O GLY A 62 13.982 31.979 -6.395 1.00 0.00 O ATOM 0 H GLY A 62 12.311 33.546 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.590 34.688 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.978 33.401 -3.780 1.00 0.00 H new ATOM 919 N GLU A 63 15.998 32.718 -5.710 1.00 0.00 N ATOM 920 CA GLU A 63 16.784 31.791 -6.511 1.00 0.00 C ATOM 921 C GLU A 63 17.817 31.058 -5.656 1.00 0.00 C ATOM 922 O GLU A 63 18.111 31.471 -4.533 1.00 0.00 O ATOM 923 CB GLU A 63 17.466 32.547 -7.655 1.00 0.00 C ATOM 924 CG GLU A 63 16.432 33.168 -8.597 1.00 0.00 C ATOM 925 CD GLU A 63 17.121 33.921 -9.732 1.00 0.00 C ATOM 926 OE1 GLU A 63 17.260 33.324 -10.824 1.00 0.00 O ATOM 927 OE2 GLU A 63 17.508 35.089 -9.502 1.00 0.00 O ATOM 0 H GLU A 63 16.565 33.351 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 63 16.114 31.040 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.107 33.329 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.109 31.866 -8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.792 32.387 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.788 33.849 -8.040 1.00 0.00 H new ATOM 934 N LYS A 64 18.370 29.966 -6.201 1.00 0.00 N ATOM 935 CA LYS A 64 19.433 29.177 -5.581 1.00 0.00 C ATOM 936 C LYS A 64 19.069 28.675 -4.181 1.00 0.00 C ATOM 937 O LYS A 64 19.946 28.471 -3.340 1.00 0.00 O ATOM 938 CB LYS A 64 20.751 29.955 -5.643 1.00 0.00 C ATOM 939 CG LYS A 64 21.970 29.033 -5.529 1.00 0.00 C ATOM 940 CD LYS A 64 23.251 29.859 -5.640 1.00 0.00 C ATOM 941 CE LYS A 64 24.491 28.976 -5.496 1.00 0.00 C ATOM 942 NZ LYS A 64 24.594 27.997 -6.595 1.00 0.00 N ATOM 0 H LYS A 64 18.080 29.601 -7.108 1.00 0.00 H new ATOM 0 HA LYS A 64 19.566 28.260 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.801 30.508 -6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.776 30.690 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.949 28.502 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.943 28.279 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 64 23.275 30.371 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 64 23.258 30.630 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 64 25.384 29.602 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.454 28.450 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 25.524 27.533 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.846 27.281 -6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 24.484 28.485 -7.507 1.00 0.00 H new ATOM 956 N SER A 65 17.776 28.469 -3.918 1.00 0.00 N ATOM 957 CA SER A 65 17.304 27.936 -2.642 1.00 0.00 C ATOM 958 C SER A 65 17.403 26.411 -2.604 1.00 0.00 C ATOM 959 O SER A 65 16.676 25.756 -1.860 1.00 0.00 O ATOM 960 CB SER A 65 15.874 28.400 -2.368 1.00 0.00 C ATOM 961 OG SER A 65 15.790 29.807 -2.452 1.00 0.00 O ATOM 0 H SER A 65 17.029 28.667 -4.584 1.00 0.00 H new ATOM 0 HA SER A 65 17.949 28.324 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.193 27.945 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.560 28.069 -1.378 1.00 0.00 H new ATOM 0 HG SER A 65 14.869 30.091 -2.276 1.00 0.00 H new ATOM 967 N THR A 66 18.300 25.840 -3.410 1.00 0.00 N ATOM 968 CA THR A 66 18.484 24.401 -3.532 1.00 0.00 C ATOM 969 C THR A 66 18.800 23.703 -2.202 1.00 0.00 C ATOM 970 O THR A 66 18.362 22.569 -2.021 1.00 0.00 O ATOM 971 CB THR A 66 19.606 24.136 -4.542 1.00 0.00 C ATOM 972 OG1 THR A 66 19.425 24.942 -5.684 1.00 0.00 O ATOM 973 CG2 THR A 66 19.610 22.670 -4.968 1.00 0.00 C ATOM 0 H THR A 66 18.929 26.379 -4.006 1.00 0.00 H new ATOM 0 HA THR A 66 17.538 23.980 -3.872 1.00 0.00 H new ATOM 0 HB THR A 66 20.557 24.375 -4.065 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.274 25.019 -6.168 1.00 0.00 H new ATOM 0 HG21 THR A 66 20.413 22.502 -5.685 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.765 22.038 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.654 22.423 -5.430 1.00 0.00 H new ATOM 981 N PRO A 67 19.531 24.323 -1.257 1.00 0.00 N ATOM 982 CA PRO A 67 19.839 23.715 0.032 1.00 0.00 C ATOM 983 C PRO A 67 18.606 23.291 0.834 1.00 0.00 C ATOM 984 O PRO A 67 18.736 22.561 1.815 1.00 0.00 O ATOM 985 CB PRO A 67 20.642 24.765 0.797 1.00 0.00 C ATOM 986 CG PRO A 67 21.288 25.586 -0.317 1.00 0.00 C ATOM 987 CD PRO A 67 20.179 25.618 -1.362 1.00 0.00 C ATOM 0 HA PRO A 67 20.389 22.787 -0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.002 25.379 1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 67 21.389 24.308 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 67 21.563 26.586 0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 67 22.195 25.117 -0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.476 26.428 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 67 20.582 25.778 -2.362 1.00 0.00 H new ATOM 995 N VAL A 68 17.404 23.728 0.443 1.00 0.00 N ATOM 996 CA VAL A 68 16.180 23.334 1.133 1.00 0.00 C ATOM 997 C VAL A 68 15.845 21.872 0.828 1.00 0.00 C ATOM 998 O VAL A 68 15.013 21.262 1.500 1.00 0.00 O ATOM 999 CB VAL A 68 15.041 24.292 0.753 1.00 0.00 C ATOM 1000 CG1 VAL A 68 13.746 23.933 1.482 1.00 0.00 C ATOM 1001 CG2 VAL A 68 15.420 25.720 1.154 1.00 0.00 C ATOM 0 H VAL A 68 17.257 24.355 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 68 16.323 23.406 2.211 1.00 0.00 H new ATOM 0 HB VAL A 68 14.886 24.211 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.960 24.630 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.448 22.919 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.905 23.994 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.612 26.400 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.587 25.763 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.331 26.015 0.633 1.00 0.00 H new ATOM 1011 N ALA A 69 16.495 21.291 -0.187 1.00 0.00 N ATOM 1012 CA ALA A 69 16.311 19.886 -0.501 1.00 0.00 C ATOM 1013 C ALA A 69 16.773 19.029 0.676 1.00 0.00 C ATOM 1014 O ALA A 69 16.319 17.900 0.843 1.00 0.00 O ATOM 1015 CB ALA A 69 17.118 19.558 -1.756 1.00 0.00 C ATOM 0 H ALA A 69 17.150 21.778 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 69 15.257 19.674 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.990 18.505 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.767 20.173 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 69 18.173 19.762 -1.574 1.00 0.00 H new ATOM 1021 N GLU A 70 17.678 19.563 1.503 1.00 0.00 N ATOM 1022 CA GLU A 70 18.195 18.850 2.658 1.00 0.00 C ATOM 1023 C GLU A 70 17.162 18.820 3.781 1.00 0.00 C ATOM 1024 O GLU A 70 17.263 18.003 4.694 1.00 0.00 O ATOM 1025 CB GLU A 70 19.501 19.504 3.109 1.00 0.00 C ATOM 1026 CG GLU A 70 20.531 19.423 1.979 1.00 0.00 C ATOM 1027 CD GLU A 70 21.810 20.169 2.350 1.00 0.00 C ATOM 1028 OE1 GLU A 70 22.577 19.628 3.175 1.00 0.00 O ATOM 1029 OE2 GLU A 70 22.015 21.273 1.801 1.00 0.00 O ATOM 0 H GLU A 70 18.067 20.499 1.385 1.00 0.00 H new ATOM 0 HA GLU A 70 18.401 17.815 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 70 19.324 20.545 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.882 19.003 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.763 18.379 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 70 20.110 19.847 1.067 1.00 0.00 H new ATOM 1036 N ALA A 71 16.160 19.706 3.723 1.00 0.00 N ATOM 1037 CA ALA A 71 15.060 19.673 4.673 1.00 0.00 C ATOM 1038 C ALA A 71 14.067 18.599 4.248 1.00 0.00 C ATOM 1039 O ALA A 71 13.360 18.035 5.081 1.00 0.00 O ATOM 1040 CB ALA A 71 14.403 21.051 4.741 1.00 0.00 C ATOM 0 H ALA A 71 16.095 20.449 3.028 1.00 0.00 H new ATOM 0 HA ALA A 71 15.425 19.427 5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.578 21.026 5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.138 21.789 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 71 14.023 21.322 3.756 1.00 0.00 H new ATOM 1046 N LEU A 72 14.010 18.304 2.942 1.00 0.00 N ATOM 1047 CA LEU A 72 13.195 17.206 2.443 1.00 0.00 C ATOM 1048 C LEU A 72 13.863 15.873 2.785 1.00 0.00 C ATOM 1049 O LEU A 72 13.179 14.862 2.938 1.00 0.00 O ATOM 1050 CB LEU A 72 12.995 17.346 0.929 1.00 0.00 C ATOM 1051 CG LEU A 72 12.296 18.655 0.549 1.00 0.00 C ATOM 1052 CD1 LEU A 72 12.189 18.741 -0.970 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.886 18.718 1.133 1.00 0.00 C ATOM 0 H LEU A 72 14.520 18.813 2.220 1.00 0.00 H new ATOM 0 HA LEU A 72 12.215 17.235 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.964 17.297 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.407 16.504 0.564 1.00 0.00 H new ATOM 0 HG LEU A 72 12.883 19.482 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.692 19.671 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.187 18.718 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.611 17.895 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.415 19.658 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.296 17.885 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.939 18.655 2.220 1.00 0.00 H new ATOM 1065 N ALA A 73 15.193 15.866 2.910 1.00 0.00 N ATOM 1066 CA ALA A 73 15.915 14.674 3.321 1.00 0.00 C ATOM 1067 C ALA A 73 15.738 14.443 4.822 1.00 0.00 C ATOM 1068 O ALA A 73 15.839 13.310 5.286 1.00 0.00 O ATOM 1069 CB ALA A 73 17.392 14.827 2.959 1.00 0.00 C ATOM 0 H ALA A 73 15.786 16.676 2.731 1.00 0.00 H new ATOM 0 HA ALA A 73 15.515 13.805 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.936 13.934 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.491 14.959 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.804 15.697 3.471 1.00 0.00 H new ATOM 1075 N ALA A 74 15.471 15.510 5.581 1.00 0.00 N ATOM 1076 CA ALA A 74 15.155 15.404 6.996 1.00 0.00 C ATOM 1077 C ALA A 74 13.698 14.972 7.170 1.00 0.00 C ATOM 1078 O ALA A 74 13.302 14.530 8.247 1.00 0.00 O ATOM 1079 CB ALA A 74 15.421 16.749 7.673 1.00 0.00 C ATOM 0 H ALA A 74 15.469 16.466 5.227 1.00 0.00 H new ATOM 0 HA ALA A 74 15.787 14.650 7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.185 16.675 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.471 17.016 7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.796 17.516 7.216 1.00 0.00 H new ATOM 1085 N ARG A 75 12.902 15.100 6.101 1.00 0.00 N ATOM 1086 CA ARG A 75 11.528 14.625 6.055 1.00 0.00 C ATOM 1087 C ARG A 75 11.480 13.205 5.484 1.00 0.00 C ATOM 1088 O ARG A 75 10.402 12.665 5.252 1.00 0.00 O ATOM 1089 CB ARG A 75 10.690 15.634 5.256 1.00 0.00 C ATOM 1090 CG ARG A 75 9.174 15.384 5.249 1.00 0.00 C ATOM 1091 CD ARG A 75 8.578 15.270 6.653 1.00 0.00 C ATOM 1092 NE ARG A 75 8.811 13.942 7.234 1.00 0.00 N ATOM 1093 CZ ARG A 75 8.561 13.624 8.510 1.00 0.00 C ATOM 1094 NH1 ARG A 75 8.065 14.525 9.354 1.00 0.00 N ATOM 1095 NH2 ARG A 75 8.810 12.391 8.947 1.00 0.00 N ATOM 0 H ARG A 75 13.206 15.544 5.235 1.00 0.00 H new ATOM 0 HA ARG A 75 11.101 14.560 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.873 16.630 5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.044 15.637 4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.680 16.197 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.965 14.468 4.697 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.017 16.032 7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.507 15.466 6.611 1.00 0.00 H new ATOM 0 HE ARG A 75 9.188 13.215 6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.870 15.473 9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.880 14.268 10.323 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.190 11.691 8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.620 12.146 9.919 1.00 0.00 H new ATOM 1109 N ASP A 76 12.652 12.600 5.262 1.00 0.00 N ATOM 1110 CA ASP A 76 12.791 11.249 4.729 1.00 0.00 C ATOM 1111 C ASP A 76 12.170 11.082 3.335 1.00 0.00 C ATOM 1112 O ASP A 76 11.621 10.029 3.015 1.00 0.00 O ATOM 1113 CB ASP A 76 12.297 10.221 5.753 1.00 0.00 C ATOM 1114 CG ASP A 76 12.690 8.794 5.374 1.00 0.00 C ATOM 1115 OD1 ASP A 76 11.814 7.907 5.469 1.00 0.00 O ATOM 1116 OD2 ASP A 76 13.866 8.598 4.991 1.00 0.00 O ATOM 0 H ASP A 76 13.547 13.050 5.454 1.00 0.00 H new ATOM 0 HA ASP A 76 13.852 11.060 4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.708 10.461 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.212 10.287 5.837 1.00 0.00 H new ATOM 1121 N ILE A 77 12.255 12.124 2.502 1.00 0.00 N ATOM 1122 CA ILE A 77 11.776 12.079 1.124 1.00 0.00 C ATOM 1123 C ILE A 77 12.946 12.375 0.178 1.00 0.00 C ATOM 1124 O ILE A 77 13.652 13.363 0.374 1.00 0.00 O ATOM 1125 CB ILE A 77 10.624 13.074 0.934 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.450 12.678 1.837 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.177 13.099 -0.530 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.278 13.652 1.717 1.00 0.00 C ATOM 0 H ILE A 77 12.659 13.022 2.768 1.00 0.00 H new ATOM 0 HA ILE A 77 11.389 11.087 0.893 1.00 0.00 H new ATOM 0 HB ILE A 77 10.968 14.072 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.115 11.674 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.786 12.642 2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.359 13.810 -0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.013 13.400 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.840 12.105 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.470 13.331 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.605 14.651 2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.923 13.669 0.687 1.00 0.00 H new ATOM 1140 N PRO A 78 13.163 11.536 -0.845 1.00 0.00 N ATOM 1141 CA PRO A 78 14.247 11.696 -1.801 1.00 0.00 C ATOM 1142 C PRO A 78 13.947 12.813 -2.798 1.00 0.00 C ATOM 1143 O PRO A 78 12.786 13.170 -3.019 1.00 0.00 O ATOM 1144 CB PRO A 78 14.354 10.341 -2.499 1.00 0.00 C ATOM 1145 CG PRO A 78 12.908 9.852 -2.495 1.00 0.00 C ATOM 1146 CD PRO A 78 12.385 10.347 -1.150 1.00 0.00 C ATOM 0 HA PRO A 78 15.181 11.980 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.747 10.436 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.014 9.659 -1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.339 10.267 -3.327 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.848 8.767 -2.577 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.321 10.577 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.509 9.588 -0.377 1.00 0.00 H new ATOM 1154 N PHE A 79 15.003 13.364 -3.405 1.00 0.00 N ATOM 1155 CA PHE A 79 14.880 14.452 -4.361 1.00 0.00 C ATOM 1156 C PHE A 79 15.920 14.344 -5.472 1.00 0.00 C ATOM 1157 O PHE A 79 16.895 13.601 -5.353 1.00 0.00 O ATOM 1158 CB PHE A 79 15.015 15.787 -3.631 1.00 0.00 C ATOM 1159 CG PHE A 79 16.353 15.989 -2.955 1.00 0.00 C ATOM 1160 CD1 PHE A 79 16.457 15.853 -1.564 1.00 0.00 C ATOM 1161 CD2 PHE A 79 17.488 16.314 -3.711 1.00 0.00 C ATOM 1162 CE1 PHE A 79 17.689 16.066 -0.931 1.00 0.00 C ATOM 1163 CE2 PHE A 79 18.722 16.511 -3.075 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.819 16.399 -1.684 1.00 0.00 C ATOM 0 H PHE A 79 15.964 13.063 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 79 13.898 14.389 -4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.854 16.596 -4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.227 15.860 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 79 15.589 15.584 -0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 79 17.412 16.413 -4.784 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.766 15.973 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 79 19.598 16.749 -3.660 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.765 16.570 -1.192 1.00 0.00 H new ATOM 1174 N VAL A 80 15.697 15.096 -6.552 1.00 0.00 N ATOM 1175 CA VAL A 80 16.579 15.162 -7.712 1.00 0.00 C ATOM 1176 C VAL A 80 16.732 16.623 -8.133 1.00 0.00 C ATOM 1177 O VAL A 80 15.798 17.410 -7.981 1.00 0.00 O ATOM 1178 CB VAL A 80 15.995 14.306 -8.843 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.771 14.499 -10.144 1.00 0.00 C ATOM 1180 CG2 VAL A 80 16.055 12.831 -8.453 1.00 0.00 C ATOM 0 H VAL A 80 14.874 15.691 -6.643 1.00 0.00 H new ATOM 0 HA VAL A 80 17.566 14.769 -7.469 1.00 0.00 H new ATOM 0 HB VAL A 80 14.963 14.619 -9.000 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.332 13.879 -10.925 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.725 15.546 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.811 14.210 -9.993 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.640 12.225 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.092 12.542 -8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.477 12.671 -7.543 1.00 0.00 H new ATOM 1190 N PHE A 81 17.903 16.989 -8.664 1.00 0.00 N ATOM 1191 CA PHE A 81 18.175 18.364 -9.065 1.00 0.00 C ATOM 1192 C PHE A 81 17.824 18.604 -10.533 1.00 0.00 C ATOM 1193 O PHE A 81 17.815 17.676 -11.340 1.00 0.00 O ATOM 1194 CB PHE A 81 19.648 18.701 -8.836 1.00 0.00 C ATOM 1195 CG PHE A 81 20.139 18.597 -7.407 1.00 0.00 C ATOM 1196 CD1 PHE A 81 19.437 19.228 -6.367 1.00 0.00 C ATOM 1197 CD2 PHE A 81 21.309 17.881 -7.123 1.00 0.00 C ATOM 1198 CE1 PHE A 81 19.906 19.136 -5.049 1.00 0.00 C ATOM 1199 CE2 PHE A 81 21.783 17.799 -5.808 1.00 0.00 C ATOM 1200 CZ PHE A 81 21.081 18.427 -4.769 1.00 0.00 C ATOM 0 H PHE A 81 18.678 16.345 -8.825 1.00 0.00 H new ATOM 0 HA PHE A 81 17.548 19.011 -8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.252 18.039 -9.456 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.827 19.717 -9.187 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.536 19.784 -6.582 1.00 0.00 H new ATOM 0 HD2 PHE A 81 21.847 17.391 -7.921 1.00 0.00 H new ATOM 0 HE1 PHE A 81 19.360 19.613 -4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.689 17.252 -5.594 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.446 18.364 -3.754 1.00 0.00 H new ATOM 1210 N ALA A 82 17.542 19.865 -10.876 1.00 0.00 N ATOM 1211 CA ALA A 82 17.315 20.290 -12.243 1.00 0.00 C ATOM 1212 C ALA A 82 17.918 21.680 -12.432 1.00 0.00 C ATOM 1213 O ALA A 82 17.638 22.591 -11.651 1.00 0.00 O ATOM 1214 CB ALA A 82 15.815 20.288 -12.539 1.00 0.00 C ATOM 0 H ALA A 82 17.466 20.622 -10.196 1.00 0.00 H new ATOM 0 HA ALA A 82 17.794 19.603 -12.941 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.647 20.608 -13.567 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.419 19.282 -12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.309 20.973 -11.859 1.00 0.00 H new ATOM 1220 N THR A 83 18.748 21.838 -13.469 1.00 0.00 N ATOM 1221 CA THR A 83 19.413 23.108 -13.746 1.00 0.00 C ATOM 1222 C THR A 83 19.999 23.123 -15.156 1.00 0.00 C ATOM 1223 O THR A 83 20.236 22.071 -15.748 1.00 0.00 O ATOM 1224 CB THR A 83 20.529 23.332 -12.717 1.00 0.00 C ATOM 1225 OG1 THR A 83 21.131 24.589 -12.924 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.612 22.256 -12.808 1.00 0.00 C ATOM 0 H THR A 83 18.973 21.096 -14.131 1.00 0.00 H new ATOM 0 HA THR A 83 18.677 23.909 -13.675 1.00 0.00 H new ATOM 0 HB THR A 83 20.070 23.284 -11.730 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.841 24.725 -12.262 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.383 22.452 -12.063 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.169 21.277 -12.623 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.057 22.271 -13.803 1.00 0.00 H new ATOM 1234 N GLY A 84 20.241 24.320 -15.699 1.00 0.00 N ATOM 1235 CA GLY A 84 20.932 24.487 -16.965 1.00 0.00 C ATOM 1236 C GLY A 84 22.415 24.746 -16.706 1.00 0.00 C ATOM 1237 O GLY A 84 22.759 25.514 -15.809 1.00 0.00 O ATOM 0 H GLY A 84 19.959 25.199 -15.265 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.810 23.595 -17.579 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.498 25.318 -17.521 1.00 0.00 H new ATOM 1241 N GLY A 85 23.290 24.106 -17.485 1.00 0.00 N ATOM 1242 CA GLY A 85 24.729 24.240 -17.306 1.00 0.00 C ATOM 1243 C GLY A 85 25.462 22.981 -17.757 1.00 0.00 C ATOM 1244 O GLY A 85 24.987 22.259 -18.634 1.00 0.00 O ATOM 0 H GLY A 85 23.020 23.487 -18.249 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.090 25.097 -17.874 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.951 24.437 -16.257 1.00 0.00 H new ATOM 1248 N SER A 86 26.623 22.727 -17.149 1.00 0.00 N ATOM 1249 CA SER A 86 27.449 21.563 -17.448 1.00 0.00 C ATOM 1250 C SER A 86 27.620 20.693 -16.204 1.00 0.00 C ATOM 1251 O SER A 86 27.158 21.049 -15.119 1.00 0.00 O ATOM 1252 CB SER A 86 28.807 22.019 -17.982 1.00 0.00 C ATOM 1253 OG SER A 86 29.556 22.633 -16.955 1.00 0.00 O ATOM 0 H SER A 86 27.017 23.332 -16.428 1.00 0.00 H new ATOM 0 HA SER A 86 26.955 20.962 -18.212 1.00 0.00 H new ATOM 0 HB2 SER A 86 29.355 21.165 -18.380 1.00 0.00 H new ATOM 0 HB3 SER A 86 28.665 22.718 -18.806 1.00 0.00 H new ATOM 0 HG SER A 86 28.982 23.250 -16.456 1.00 0.00 H new ATOM 1259 N ASP A 87 28.290 19.549 -16.362 1.00 0.00 N ATOM 1260 CA ASP A 87 28.545 18.624 -15.264 1.00 0.00 C ATOM 1261 C ASP A 87 29.564 19.189 -14.272 1.00 0.00 C ATOM 1262 O ASP A 87 29.871 18.551 -13.267 1.00 0.00 O ATOM 1263 CB ASP A 87 29.006 17.281 -15.831 1.00 0.00 C ATOM 1264 CG ASP A 87 30.331 17.405 -16.580 1.00 0.00 C ATOM 1265 OD1 ASP A 87 30.298 17.880 -17.738 1.00 0.00 O ATOM 1266 OD2 ASP A 87 31.368 17.025 -15.990 1.00 0.00 O ATOM 0 H ASP A 87 28.670 19.241 -17.257 1.00 0.00 H new ATOM 0 HA ASP A 87 27.619 18.478 -14.708 1.00 0.00 H new ATOM 0 HB2 ASP A 87 29.114 16.562 -15.019 1.00 0.00 H new ATOM 0 HB3 ASP A 87 28.243 16.890 -16.504 1.00 0.00 H new ATOM 1271 N ASP A 88 30.093 20.386 -14.553 1.00 0.00 N ATOM 1272 CA ASP A 88 31.056 21.057 -13.693 1.00 0.00 C ATOM 1273 C ASP A 88 30.473 22.348 -13.111 1.00 0.00 C ATOM 1274 O ASP A 88 31.153 23.063 -12.376 1.00 0.00 O ATOM 1275 CB ASP A 88 32.348 21.310 -14.477 1.00 0.00 C ATOM 1276 CG ASP A 88 33.469 21.818 -13.574 1.00 0.00 C ATOM 1277 OD1 ASP A 88 34.036 22.888 -13.899 1.00 0.00 O ATOM 1278 OD2 ASP A 88 33.755 21.137 -12.563 1.00 0.00 O ATOM 0 H ASP A 88 29.858 20.915 -15.393 1.00 0.00 H new ATOM 0 HA ASP A 88 31.290 20.415 -12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 88 32.664 20.388 -14.965 1.00 0.00 H new ATOM 0 HB3 ASP A 88 32.158 22.038 -15.265 1.00 0.00 H new ATOM 1283 N SER A 89 29.211 22.651 -13.436 1.00 0.00 N ATOM 1284 CA SER A 89 28.526 23.846 -12.960 1.00 0.00 C ATOM 1285 C SER A 89 27.855 23.609 -11.607 1.00 0.00 C ATOM 1286 O SER A 89 27.114 24.464 -11.126 1.00 0.00 O ATOM 1287 CB SER A 89 27.492 24.296 -13.997 1.00 0.00 C ATOM 1288 OG SER A 89 28.114 24.498 -15.249 1.00 0.00 O ATOM 0 H SER A 89 28.637 22.065 -14.042 1.00 0.00 H new ATOM 0 HA SER A 89 29.269 24.632 -12.823 1.00 0.00 H new ATOM 0 HB2 SER A 89 26.708 23.545 -14.089 1.00 0.00 H new ATOM 0 HB3 SER A 89 27.013 25.218 -13.668 1.00 0.00 H new ATOM 0 HG SER A 89 27.548 25.071 -15.807 1.00 0.00 H new ATOM 1294 N VAL A 90 28.106 22.451 -10.989 1.00 0.00 N ATOM 1295 CA VAL A 90 27.470 22.044 -9.740 1.00 0.00 C ATOM 1296 C VAL A 90 28.460 21.363 -8.801 1.00 0.00 C ATOM 1297 O VAL A 90 29.473 20.819 -9.239 1.00 0.00 O ATOM 1298 CB VAL A 90 26.287 21.113 -10.019 1.00 0.00 C ATOM 1299 CG1 VAL A 90 25.105 21.871 -10.619 1.00 0.00 C ATOM 1300 CG2 VAL A 90 26.679 19.963 -10.949 1.00 0.00 C ATOM 0 H VAL A 90 28.767 21.763 -11.350 1.00 0.00 H new ATOM 0 HA VAL A 90 27.107 22.947 -9.249 1.00 0.00 H new ATOM 0 HB VAL A 90 25.987 20.698 -9.057 1.00 0.00 H new ATOM 0 HG11 VAL A 90 24.284 21.178 -10.804 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.778 22.644 -9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 90 25.408 22.333 -11.559 1.00 0.00 H new ATOM 0 HG21 VAL A 90 25.813 19.324 -11.123 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.029 20.367 -11.899 1.00 0.00 H new ATOM 0 HG23 VAL A 90 27.475 19.378 -10.488 1.00 0.00 H new ATOM 1310 N ASP A 91 28.159 21.400 -7.500 1.00 0.00 N ATOM 1311 CA ASP A 91 28.978 20.791 -6.456 1.00 0.00 C ATOM 1312 C ASP A 91 28.987 19.260 -6.574 1.00 0.00 C ATOM 1313 O ASP A 91 28.134 18.671 -7.238 1.00 0.00 O ATOM 1314 CB ASP A 91 28.444 21.239 -5.092 1.00 0.00 C ATOM 1315 CG ASP A 91 29.232 20.631 -3.938 1.00 0.00 C ATOM 1316 OD1 ASP A 91 28.741 19.624 -3.383 1.00 0.00 O ATOM 1317 OD2 ASP A 91 30.316 21.176 -3.622 1.00 0.00 O ATOM 0 H ASP A 91 27.324 21.863 -7.140 1.00 0.00 H new ATOM 0 HA ASP A 91 30.011 21.120 -6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 91 28.487 22.326 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 91 27.395 20.955 -5.003 1.00 0.00 H new ATOM 1322 N SER A 92 29.961 18.614 -5.923 1.00 0.00 N ATOM 1323 CA SER A 92 30.150 17.172 -5.999 1.00 0.00 C ATOM 1324 C SER A 92 28.925 16.390 -5.524 1.00 0.00 C ATOM 1325 O SER A 92 28.794 15.213 -5.862 1.00 0.00 O ATOM 1326 CB SER A 92 31.373 16.789 -5.161 1.00 0.00 C ATOM 1327 OG SER A 92 32.508 17.487 -5.629 1.00 0.00 O ATOM 0 H SER A 92 30.641 19.085 -5.327 1.00 0.00 H new ATOM 0 HA SER A 92 30.302 16.909 -7.046 1.00 0.00 H new ATOM 0 HB2 SER A 92 31.196 17.026 -4.112 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.545 15.714 -5.221 1.00 0.00 H new ATOM 0 HG SER A 92 33.289 17.241 -5.090 1.00 0.00 H new ATOM 1333 N ARG A 93 28.023 17.005 -4.752 1.00 0.00 N ATOM 1334 CA ARG A 93 26.812 16.319 -4.313 1.00 0.00 C ATOM 1335 C ARG A 93 25.817 16.187 -5.465 1.00 0.00 C ATOM 1336 O ARG A 93 24.990 15.277 -5.462 1.00 0.00 O ATOM 1337 CB ARG A 93 26.218 17.056 -3.112 1.00 0.00 C ATOM 1338 CG ARG A 93 25.040 16.263 -2.539 1.00 0.00 C ATOM 1339 CD ARG A 93 24.616 16.832 -1.189 1.00 0.00 C ATOM 1340 NE ARG A 93 24.135 18.212 -1.305 1.00 0.00 N ATOM 1341 CZ ARG A 93 23.816 18.970 -0.252 1.00 0.00 C ATOM 1342 NH1 ARG A 93 23.953 18.494 0.985 1.00 0.00 N ATOM 1343 NH2 ARG A 93 23.358 20.206 -0.435 1.00 0.00 N ATOM 0 H ARG A 93 28.110 17.967 -4.423 1.00 0.00 H new ATOM 0 HA ARG A 93 27.058 15.305 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 93 26.981 17.193 -2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 93 25.886 18.050 -3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 93 24.200 16.296 -3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 93 25.320 15.216 -2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 93 23.830 16.208 -0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 93 25.460 16.798 -0.499 1.00 0.00 H new ATOM 0 HE ARG A 93 24.039 18.614 -2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.303 17.547 1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.708 19.077 1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.250 20.575 -1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 93 23.115 20.784 0.369 1.00 0.00 H new ATOM 1357 N PHE A 94 25.895 17.082 -6.449 1.00 0.00 N ATOM 1358 CA PHE A 94 25.091 16.986 -7.657 1.00 0.00 C ATOM 1359 C PHE A 94 25.728 15.975 -8.604 1.00 0.00 C ATOM 1360 O PHE A 94 25.072 15.463 -9.509 1.00 0.00 O ATOM 1361 CB PHE A 94 25.028 18.346 -8.347 1.00 0.00 C ATOM 1362 CG PHE A 94 24.420 19.480 -7.551 1.00 0.00 C ATOM 1363 CD1 PHE A 94 23.210 20.051 -7.963 1.00 0.00 C ATOM 1364 CD2 PHE A 94 25.073 19.978 -6.415 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.650 21.111 -7.237 1.00 0.00 C ATOM 1366 CE2 PHE A 94 24.514 21.035 -5.687 1.00 0.00 C ATOM 1367 CZ PHE A 94 23.302 21.605 -6.100 1.00 0.00 C ATOM 0 H PHE A 94 26.517 17.890 -6.427 1.00 0.00 H new ATOM 0 HA PHE A 94 24.082 16.667 -7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 94 26.041 18.632 -8.629 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.459 18.234 -9.270 1.00 0.00 H new ATOM 0 HD1 PHE A 94 22.707 19.674 -8.841 1.00 0.00 H new ATOM 0 HD2 PHE A 94 26.011 19.545 -6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.715 21.547 -7.555 1.00 0.00 H new ATOM 0 HE2 PHE A 94 25.016 21.411 -4.808 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.872 22.424 -5.543 1.00 0.00 H new ATOM 1377 N ARG A 95 27.015 15.687 -8.391 1.00 0.00 N ATOM 1378 CA ARG A 95 27.740 14.690 -9.167 1.00 0.00 C ATOM 1379 C ARG A 95 27.590 13.307 -8.541 1.00 0.00 C ATOM 1380 O ARG A 95 27.971 12.312 -9.151 1.00 0.00 O ATOM 1381 CB ARG A 95 29.214 15.100 -9.280 1.00 0.00 C ATOM 1382 CG ARG A 95 29.340 16.563 -9.715 1.00 0.00 C ATOM 1383 CD ARG A 95 30.813 16.949 -9.837 1.00 0.00 C ATOM 1384 NE ARG A 95 30.962 18.407 -9.921 1.00 0.00 N ATOM 1385 CZ ARG A 95 31.963 19.038 -10.540 1.00 0.00 C ATOM 1386 NH1 ARG A 95 32.925 18.366 -11.171 1.00 0.00 N ATOM 1387 NH2 ARG A 95 32.010 20.366 -10.530 1.00 0.00 N ATOM 0 H ARG A 95 27.580 16.142 -7.674 1.00 0.00 H new ATOM 0 HA ARG A 95 27.319 14.638 -10.171 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.710 14.957 -8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 95 29.721 14.457 -10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 95 28.837 16.711 -10.671 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.845 17.210 -8.991 1.00 0.00 H new ATOM 0 HD2 ARG A 95 31.366 16.571 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.244 16.483 -10.723 1.00 0.00 H new ATOM 0 HE ARG A 95 30.248 18.981 -9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 95 32.907 17.346 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 95 33.679 18.871 -11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 95 31.284 20.898 -10.051 1.00 0.00 H new ATOM 0 HH22 ARG A 95 32.772 20.853 -11.001 1.00 0.00 H new ATOM 1401 N ASP A 96 27.036 13.250 -7.327 1.00 0.00 N ATOM 1402 CA ASP A 96 26.783 12.006 -6.613 1.00 0.00 C ATOM 1403 C ASP A 96 25.291 11.664 -6.587 1.00 0.00 C ATOM 1404 O ASP A 96 24.920 10.549 -6.219 1.00 0.00 O ATOM 1405 CB ASP A 96 27.356 12.129 -5.199 1.00 0.00 C ATOM 1406 CG ASP A 96 27.245 10.819 -4.423 1.00 0.00 C ATOM 1407 OD1 ASP A 96 26.523 10.814 -3.398 1.00 0.00 O ATOM 1408 OD2 ASP A 96 27.883 9.835 -4.856 1.00 0.00 O ATOM 0 H ASP A 96 26.748 14.081 -6.810 1.00 0.00 H new ATOM 0 HA ASP A 96 27.276 11.185 -7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.402 12.429 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.828 12.916 -4.660 1.00 0.00 H new ATOM 1413 N ARG A 97 24.436 12.615 -6.979 1.00 0.00 N ATOM 1414 CA ARG A 97 22.993 12.414 -7.060 1.00 0.00 C ATOM 1415 C ARG A 97 22.505 12.672 -8.487 1.00 0.00 C ATOM 1416 O ARG A 97 23.202 13.319 -9.261 1.00 0.00 O ATOM 1417 CB ARG A 97 22.282 13.340 -6.070 1.00 0.00 C ATOM 1418 CG ARG A 97 22.654 13.009 -4.623 1.00 0.00 C ATOM 1419 CD ARG A 97 21.811 13.848 -3.660 1.00 0.00 C ATOM 1420 NE ARG A 97 20.384 13.524 -3.796 1.00 0.00 N ATOM 1421 CZ ARG A 97 19.781 12.491 -3.203 1.00 0.00 C ATOM 1422 NH1 ARG A 97 20.451 11.685 -2.384 1.00 0.00 N ATOM 1423 NH2 ARG A 97 18.492 12.260 -3.431 1.00 0.00 N ATOM 0 H ARG A 97 24.733 13.552 -7.250 1.00 0.00 H new ATOM 0 HA ARG A 97 22.760 11.382 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.545 14.375 -6.286 1.00 0.00 H new ATOM 0 HB3 ARG A 97 21.203 13.252 -6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.492 11.948 -4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 97 23.713 13.205 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 97 22.133 13.666 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 97 21.968 14.908 -3.861 1.00 0.00 H new ATOM 0 HE ARG A 97 19.814 14.131 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 97 21.440 11.852 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 97 19.975 10.900 -1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.967 12.871 -4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.028 11.472 -2.980 1.00 0.00 H new ATOM 1437 N PRO A 98 21.316 12.176 -8.852 1.00 0.00 N ATOM 1438 CA PRO A 98 20.744 12.383 -10.170 1.00 0.00 C ATOM 1439 C PRO A 98 20.551 13.866 -10.491 1.00 0.00 C ATOM 1440 O PRO A 98 20.302 14.678 -9.600 1.00 0.00 O ATOM 1441 CB PRO A 98 19.411 11.629 -10.169 1.00 0.00 C ATOM 1442 CG PRO A 98 19.584 10.596 -9.055 1.00 0.00 C ATOM 1443 CD PRO A 98 20.442 11.348 -8.042 1.00 0.00 C ATOM 0 HA PRO A 98 21.413 12.011 -10.946 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.573 12.297 -9.970 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.219 11.153 -11.131 1.00 0.00 H new ATOM 0 HG2 PRO A 98 18.627 10.292 -8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 98 20.076 9.691 -9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 98 19.829 11.953 -7.374 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.013 10.661 -7.417 1.00 0.00 H new ATOM 1451 N VAL A 99 20.663 14.203 -11.778 1.00 0.00 N ATOM 1452 CA VAL A 99 20.524 15.565 -12.283 1.00 0.00 C ATOM 1453 C VAL A 99 19.809 15.549 -13.630 1.00 0.00 C ATOM 1454 O VAL A 99 19.846 14.549 -14.345 1.00 0.00 O ATOM 1455 CB VAL A 99 21.889 16.255 -12.429 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.548 16.458 -11.066 1.00 0.00 C ATOM 1457 CG2 VAL A 99 22.837 15.446 -13.318 1.00 0.00 C ATOM 0 H VAL A 99 20.857 13.520 -12.511 1.00 0.00 H new ATOM 0 HA VAL A 99 19.936 16.130 -11.560 1.00 0.00 H new ATOM 0 HB VAL A 99 21.703 17.223 -12.895 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.513 16.948 -11.198 1.00 0.00 H new ATOM 0 HG12 VAL A 99 21.907 17.080 -10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 99 22.695 15.491 -10.585 1.00 0.00 H new ATOM 0 HG21 VAL A 99 23.792 15.965 -13.398 1.00 0.00 H new ATOM 0 HG22 VAL A 99 22.995 14.461 -12.879 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.400 15.336 -14.310 1.00 0.00 H new ATOM 1467 N LEU A 100 19.156 16.663 -13.973 1.00 0.00 N ATOM 1468 CA LEU A 100 18.460 16.810 -15.242 1.00 0.00 C ATOM 1469 C LEU A 100 18.712 18.205 -15.813 1.00 0.00 C ATOM 1470 O LEU A 100 18.823 19.174 -15.061 1.00 0.00 O ATOM 1471 CB LEU A 100 16.971 16.545 -15.014 1.00 0.00 C ATOM 1472 CG LEU A 100 16.145 16.591 -16.304 1.00 0.00 C ATOM 1473 CD1 LEU A 100 16.636 15.567 -17.327 1.00 0.00 C ATOM 1474 CD2 LEU A 100 14.688 16.279 -15.970 1.00 0.00 C ATOM 0 H LEU A 100 19.099 17.486 -13.373 1.00 0.00 H new ATOM 0 HA LEU A 100 18.832 16.091 -15.972 1.00 0.00 H new ATOM 0 HB2 LEU A 100 16.850 15.567 -14.547 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.580 17.283 -14.314 1.00 0.00 H new ATOM 0 HG LEU A 100 16.248 17.587 -16.735 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.025 15.631 -18.228 1.00 0.00 H new ATOM 0 HD12 LEU A 100 17.676 15.774 -17.579 1.00 0.00 H new ATOM 0 HD13 LEU A 100 16.557 14.565 -16.905 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.091 16.309 -16.882 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.621 15.286 -15.525 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.310 17.019 -15.264 1.00 0.00 H new ATOM 1486 N GLN A 101 18.804 18.301 -17.139 1.00 0.00 N ATOM 1487 CA GLN A 101 19.028 19.568 -17.825 1.00 0.00 C ATOM 1488 C GLN A 101 17.737 20.387 -17.866 1.00 0.00 C ATOM 1489 O GLN A 101 16.657 19.853 -17.614 1.00 0.00 O ATOM 1490 CB GLN A 101 19.581 19.304 -19.228 1.00 0.00 C ATOM 1491 CG GLN A 101 18.555 18.579 -20.104 1.00 0.00 C ATOM 1492 CD GLN A 101 19.070 18.357 -21.525 1.00 0.00 C ATOM 1493 OE1 GLN A 101 20.215 18.662 -21.846 1.00 0.00 O ATOM 1494 NE2 GLN A 101 18.215 17.822 -22.394 1.00 0.00 N ATOM 0 H GLN A 101 18.725 17.500 -17.766 1.00 0.00 H new ATOM 0 HA GLN A 101 19.766 20.154 -17.277 1.00 0.00 H new ATOM 0 HB2 GLN A 101 19.858 20.249 -19.695 1.00 0.00 H new ATOM 0 HB3 GLN A 101 20.489 18.705 -19.156 1.00 0.00 H new ATOM 0 HG2 GLN A 101 18.309 17.618 -19.653 1.00 0.00 H new ATOM 0 HG3 GLN A 101 17.633 19.160 -20.139 1.00 0.00 H new ATOM 0 HE21 GLN A 101 17.270 17.579 -22.096 1.00 0.00 H new ATOM 0 HE22 GLN A 101 18.505 17.655 -23.358 1.00 0.00 H new ATOM 1503 N LYS A 102 17.835 21.681 -18.184 1.00 0.00 N ATOM 1504 CA LYS A 102 16.664 22.550 -18.184 1.00 0.00 C ATOM 1505 C LYS A 102 15.807 22.389 -19.442 1.00 0.00 C ATOM 1506 O LYS A 102 14.584 22.421 -19.321 1.00 0.00 O ATOM 1507 CB LYS A 102 17.095 23.999 -17.950 1.00 0.00 C ATOM 1508 CG LYS A 102 15.898 24.910 -17.657 1.00 0.00 C ATOM 1509 CD LYS A 102 15.119 24.415 -16.437 1.00 0.00 C ATOM 1510 CE LYS A 102 14.083 25.453 -16.010 1.00 0.00 C ATOM 1511 NZ LYS A 102 13.346 24.995 -14.819 1.00 0.00 N ATOM 0 H LYS A 102 18.707 22.143 -18.442 1.00 0.00 H new ATOM 0 HA LYS A 102 16.018 22.247 -17.360 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.795 24.039 -17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.625 24.367 -18.829 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.245 25.928 -17.483 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.240 24.942 -18.525 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.624 23.473 -16.672 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.806 24.218 -15.614 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.577 26.400 -15.796 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.385 25.635 -16.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.110 25.813 -14.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.471 24.518 -15.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.937 24.331 -14.279 1.00 0.00 H new ATOM 1525 N PRO A 103 16.388 22.221 -20.640 1.00 0.00 N ATOM 1526 CA PRO A 103 15.629 21.912 -21.843 1.00 0.00 C ATOM 1527 C PRO A 103 14.909 20.574 -21.694 1.00 0.00 C ATOM 1528 O PRO A 103 15.447 19.648 -21.084 1.00 0.00 O ATOM 1529 CB PRO A 103 16.648 21.868 -22.982 1.00 0.00 C ATOM 1530 CG PRO A 103 17.827 22.676 -22.445 1.00 0.00 C ATOM 1531 CD PRO A 103 17.799 22.344 -20.957 1.00 0.00 C ATOM 0 HA PRO A 103 14.858 22.658 -22.036 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.939 20.845 -23.220 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.246 22.305 -23.896 1.00 0.00 H new ATOM 0 HG2 PRO A 103 18.768 22.380 -22.910 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.704 23.744 -22.626 1.00 0.00 H new ATOM 0 HD2 PRO A 103 18.335 21.419 -20.746 1.00 0.00 H new ATOM 0 HD3 PRO A 103 18.272 23.128 -20.366 1.00 0.00 H new ATOM 1539 N PHE A 104 13.698 20.462 -22.247 1.00 0.00 N ATOM 1540 CA PHE A 104 12.895 19.252 -22.111 1.00 0.00 C ATOM 1541 C PHE A 104 12.605 18.621 -23.472 1.00 0.00 C ATOM 1542 O PHE A 104 12.219 19.308 -24.419 1.00 0.00 O ATOM 1543 CB PHE A 104 11.612 19.558 -21.332 1.00 0.00 C ATOM 1544 CG PHE A 104 11.685 19.130 -19.880 1.00 0.00 C ATOM 1545 CD1 PHE A 104 10.658 18.355 -19.316 1.00 0.00 C ATOM 1546 CD2 PHE A 104 12.791 19.490 -19.096 1.00 0.00 C ATOM 1547 CE1 PHE A 104 10.773 17.904 -17.996 1.00 0.00 C ATOM 1548 CE2 PHE A 104 12.891 19.052 -17.770 1.00 0.00 C ATOM 1549 CZ PHE A 104 11.885 18.252 -17.218 1.00 0.00 C ATOM 0 H PHE A 104 13.254 21.200 -22.794 1.00 0.00 H new ATOM 0 HA PHE A 104 13.464 18.516 -21.543 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.411 20.628 -21.380 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.773 19.054 -21.812 1.00 0.00 H new ATOM 0 HD1 PHE A 104 9.783 18.108 -19.899 1.00 0.00 H new ATOM 0 HD2 PHE A 104 13.570 20.108 -19.518 1.00 0.00 H new ATOM 0 HE1 PHE A 104 9.998 17.282 -17.573 1.00 0.00 H new ATOM 0 HE2 PHE A 104 13.746 19.332 -17.173 1.00 0.00 H new ATOM 0 HZ PHE A 104 11.965 17.905 -16.198 1.00 0.00 H new ATOM 1559 N THR A 105 12.799 17.301 -23.548 1.00 0.00 N ATOM 1560 CA THR A 105 12.550 16.492 -24.732 1.00 0.00 C ATOM 1561 C THR A 105 11.998 15.139 -24.299 1.00 0.00 C ATOM 1562 O THR A 105 12.240 14.697 -23.175 1.00 0.00 O ATOM 1563 CB THR A 105 13.836 16.293 -25.542 1.00 0.00 C ATOM 1564 OG1 THR A 105 14.807 15.640 -24.755 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.401 17.627 -26.029 1.00 0.00 C ATOM 0 H THR A 105 13.145 16.754 -22.759 1.00 0.00 H new ATOM 0 HA THR A 105 11.828 17.007 -25.366 1.00 0.00 H new ATOM 0 HB THR A 105 13.588 15.683 -26.410 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.625 15.515 -25.281 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.313 17.449 -26.600 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.667 18.123 -26.663 1.00 0.00 H new ATOM 0 HG23 THR A 105 14.627 18.261 -25.172 1.00 0.00 H new ATOM 1573 N MET A 106 11.259 14.468 -25.182 1.00 0.00 N ATOM 1574 CA MET A 106 10.629 13.198 -24.845 1.00 0.00 C ATOM 1575 C MET A 106 11.662 12.090 -24.659 1.00 0.00 C ATOM 1576 O MET A 106 11.425 11.152 -23.902 1.00 0.00 O ATOM 1577 CB MET A 106 9.641 12.813 -25.950 1.00 0.00 C ATOM 1578 CG MET A 106 8.490 13.814 -26.017 1.00 0.00 C ATOM 1579 SD MET A 106 7.277 13.461 -27.316 1.00 0.00 S ATOM 1580 CE MET A 106 6.150 14.850 -27.038 1.00 0.00 C ATOM 0 H MET A 106 11.084 14.785 -26.135 1.00 0.00 H new ATOM 0 HA MET A 106 10.101 13.318 -23.899 1.00 0.00 H new ATOM 0 HB2 MET A 106 10.156 12.779 -26.910 1.00 0.00 H new ATOM 0 HB3 MET A 106 9.250 11.813 -25.763 1.00 0.00 H new ATOM 0 HG2 MET A 106 7.980 13.830 -25.054 1.00 0.00 H new ATOM 0 HG3 MET A 106 8.899 14.811 -26.178 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.329 14.801 -27.753 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.752 14.799 -26.024 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.689 15.788 -27.169 1.00 0.00 H new ATOM 1590 N ASP A 107 12.807 12.180 -25.338 1.00 0.00 N ATOM 1591 CA ASP A 107 13.845 11.162 -25.234 1.00 0.00 C ATOM 1592 C ASP A 107 14.753 11.404 -24.028 1.00 0.00 C ATOM 1593 O ASP A 107 15.210 10.452 -23.395 1.00 0.00 O ATOM 1594 CB ASP A 107 14.649 11.137 -26.532 1.00 0.00 C ATOM 1595 CG ASP A 107 15.711 10.040 -26.502 1.00 0.00 C ATOM 1596 OD1 ASP A 107 15.320 8.855 -26.608 1.00 0.00 O ATOM 1597 OD2 ASP A 107 16.904 10.393 -26.373 1.00 0.00 O ATOM 0 H ASP A 107 13.036 12.950 -25.966 1.00 0.00 H new ATOM 0 HA ASP A 107 13.373 10.191 -25.081 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.978 10.974 -27.376 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.126 12.105 -26.686 1.00 0.00 H new ATOM 1602 N GLY A 108 15.018 12.674 -23.703 1.00 0.00 N ATOM 1603 CA GLY A 108 15.958 13.015 -22.648 1.00 0.00 C ATOM 1604 C GLY A 108 15.364 12.821 -21.260 1.00 0.00 C ATOM 1605 O GLY A 108 16.060 12.364 -20.351 1.00 0.00 O ATOM 0 H GLY A 108 14.590 13.479 -24.161 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.852 12.399 -22.748 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.271 14.052 -22.765 1.00 0.00 H new ATOM 1609 N VAL A 109 14.084 13.161 -21.075 1.00 0.00 N ATOM 1610 CA VAL A 109 13.457 13.045 -19.766 1.00 0.00 C ATOM 1611 C VAL A 109 12.932 11.632 -19.530 1.00 0.00 C ATOM 1612 O VAL A 109 12.766 11.226 -18.381 1.00 0.00 O ATOM 1613 CB VAL A 109 12.364 14.106 -19.613 1.00 0.00 C ATOM 1614 CG1 VAL A 109 11.766 14.072 -18.206 1.00 0.00 C ATOM 1615 CG2 VAL A 109 12.964 15.493 -19.844 1.00 0.00 C ATOM 0 H VAL A 109 13.472 13.515 -21.810 1.00 0.00 H new ATOM 0 HA VAL A 109 14.207 13.228 -18.996 1.00 0.00 H new ATOM 0 HB VAL A 109 11.583 13.896 -20.344 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.992 14.835 -18.121 1.00 0.00 H new ATOM 0 HG12 VAL A 109 11.330 13.090 -18.019 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.549 14.267 -17.473 1.00 0.00 H new ATOM 0 HG21 VAL A 109 12.186 16.249 -19.735 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.752 15.675 -19.113 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.383 15.546 -20.849 1.00 0.00 H new ATOM 1625 N ALA A 110 12.664 10.861 -20.589 1.00 0.00 N ATOM 1626 CA ALA A 110 12.202 9.492 -20.419 1.00 0.00 C ATOM 1627 C ALA A 110 13.338 8.609 -19.905 1.00 0.00 C ATOM 1628 O ALA A 110 13.090 7.626 -19.205 1.00 0.00 O ATOM 1629 CB ALA A 110 11.667 8.964 -21.751 1.00 0.00 C ATOM 0 H ALA A 110 12.759 11.162 -21.559 1.00 0.00 H new ATOM 0 HA ALA A 110 11.398 9.472 -19.683 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.321 7.938 -21.623 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.837 9.588 -22.083 1.00 0.00 H new ATOM 0 HB3 ALA A 110 12.461 8.989 -22.497 1.00 0.00 H new ATOM 1635 N LYS A 111 14.586 8.951 -20.243 1.00 0.00 N ATOM 1636 CA LYS A 111 15.745 8.222 -19.747 1.00 0.00 C ATOM 1637 C LYS A 111 16.063 8.646 -18.315 1.00 0.00 C ATOM 1638 O LYS A 111 16.547 7.839 -17.525 1.00 0.00 O ATOM 1639 CB LYS A 111 16.929 8.483 -20.683 1.00 0.00 C ATOM 1640 CG LYS A 111 18.194 7.725 -20.260 1.00 0.00 C ATOM 1641 CD LYS A 111 17.974 6.210 -20.283 1.00 0.00 C ATOM 1642 CE LYS A 111 19.287 5.496 -19.962 1.00 0.00 C ATOM 1643 NZ LYS A 111 19.111 4.031 -19.974 1.00 0.00 N ATOM 0 H LYS A 111 14.813 9.731 -20.860 1.00 0.00 H new ATOM 0 HA LYS A 111 15.536 7.152 -19.731 1.00 0.00 H new ATOM 0 HB2 LYS A 111 16.657 8.191 -21.697 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.141 9.552 -20.705 1.00 0.00 H new ATOM 0 HG2 LYS A 111 19.015 7.985 -20.928 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.488 8.036 -19.257 1.00 0.00 H new ATOM 0 HD2 LYS A 111 17.210 5.932 -19.557 1.00 0.00 H new ATOM 0 HD3 LYS A 111 17.610 5.900 -21.263 1.00 0.00 H new ATOM 0 HE2 LYS A 111 20.047 5.780 -20.690 1.00 0.00 H new ATOM 0 HE3 LYS A 111 19.648 5.814 -18.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 20.017 3.571 -19.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 18.403 3.761 -19.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 18.789 3.728 -20.915 1.00 0.00 H new ATOM 1657 N ALA A 112 15.790 9.909 -17.980 1.00 0.00 N ATOM 1658 CA ALA A 112 16.035 10.426 -16.643 1.00 0.00 C ATOM 1659 C ALA A 112 14.939 9.983 -15.674 1.00 0.00 C ATOM 1660 O ALA A 112 15.186 9.877 -14.474 1.00 0.00 O ATOM 1661 CB ALA A 112 16.126 11.947 -16.712 1.00 0.00 C ATOM 0 H ALA A 112 15.396 10.593 -18.626 1.00 0.00 H new ATOM 0 HA ALA A 112 16.976 10.025 -16.266 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.310 12.346 -15.714 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.944 12.233 -17.373 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.190 12.350 -17.097 1.00 0.00 H new ATOM 1667 N LEU A 113 13.732 9.719 -16.183 1.00 0.00 N ATOM 1668 CA LEU A 113 12.627 9.248 -15.360 1.00 0.00 C ATOM 1669 C LEU A 113 12.873 7.788 -14.980 1.00 0.00 C ATOM 1670 O LEU A 113 12.590 7.382 -13.855 1.00 0.00 O ATOM 1671 CB LEU A 113 11.324 9.460 -16.145 1.00 0.00 C ATOM 1672 CG LEU A 113 10.019 9.156 -15.397 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.708 7.662 -15.349 1.00 0.00 C ATOM 1674 CD2 LEU A 113 10.039 9.728 -13.979 1.00 0.00 C ATOM 0 H LEU A 113 13.500 9.826 -17.170 1.00 0.00 H new ATOM 0 HA LEU A 113 12.546 9.805 -14.426 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.292 10.497 -16.480 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.358 8.837 -17.039 1.00 0.00 H new ATOM 0 HG LEU A 113 9.226 9.644 -15.963 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.775 7.502 -14.809 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.610 7.278 -16.364 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.517 7.138 -14.839 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.099 9.494 -13.479 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.866 9.289 -13.421 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.166 10.810 -14.025 1.00 0.00 H new ATOM 1686 N ALA A 114 13.407 6.995 -15.915 1.00 0.00 N ATOM 1687 CA ALA A 114 13.732 5.605 -15.650 1.00 0.00 C ATOM 1688 C ALA A 114 14.943 5.501 -14.721 1.00 0.00 C ATOM 1689 O ALA A 114 15.113 4.488 -14.046 1.00 0.00 O ATOM 1690 CB ALA A 114 14.002 4.903 -16.980 1.00 0.00 C ATOM 0 H ALA A 114 13.621 7.302 -16.864 1.00 0.00 H new ATOM 0 HA ALA A 114 12.894 5.121 -15.148 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.248 3.857 -16.796 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.114 4.962 -17.609 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.837 5.389 -17.485 1.00 0.00 H new ATOM 1696 N ALA A 115 15.783 6.541 -14.685 1.00 0.00 N ATOM 1697 CA ALA A 115 16.924 6.603 -13.784 1.00 0.00 C ATOM 1698 C ALA A 115 16.532 7.185 -12.422 1.00 0.00 C ATOM 1699 O ALA A 115 17.294 7.081 -11.464 1.00 0.00 O ATOM 1700 CB ALA A 115 18.023 7.435 -14.443 1.00 0.00 C ATOM 0 H ALA A 115 15.685 7.361 -15.283 1.00 0.00 H new ATOM 0 HA ALA A 115 17.291 5.593 -13.599 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.885 7.490 -13.779 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.318 6.969 -15.383 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.650 8.441 -14.638 1.00 0.00 H new ATOM 1706 N LEU A 116 15.346 7.799 -12.337 1.00 0.00 N ATOM 1707 CA LEU A 116 14.841 8.388 -11.105 1.00 0.00 C ATOM 1708 C LEU A 116 14.016 7.370 -10.318 1.00 0.00 C ATOM 1709 O LEU A 116 13.959 7.439 -9.092 1.00 0.00 O ATOM 1710 CB LEU A 116 14.035 9.636 -11.486 1.00 0.00 C ATOM 1711 CG LEU A 116 13.394 10.364 -10.300 1.00 0.00 C ATOM 1712 CD1 LEU A 116 13.203 11.836 -10.671 1.00 0.00 C ATOM 1713 CD2 LEU A 116 12.005 9.811 -9.976 1.00 0.00 C ATOM 0 H LEU A 116 14.711 7.898 -13.129 1.00 0.00 H new ATOM 0 HA LEU A 116 15.658 8.680 -10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.691 10.330 -12.011 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.251 9.347 -12.186 1.00 0.00 H new ATOM 0 HG LEU A 116 14.050 10.230 -9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.747 12.366 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.171 12.282 -10.899 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.555 11.910 -11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.585 10.354 -9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.354 9.931 -10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.084 8.753 -9.725 1.00 0.00 H new ATOM 1725 N LEU A 117 13.379 6.426 -11.016 1.00 0.00 N ATOM 1726 CA LEU A 117 12.491 5.452 -10.402 1.00 0.00 C ATOM 1727 C LEU A 117 13.264 4.264 -9.814 1.00 0.00 C ATOM 1728 O LEU A 117 12.663 3.290 -9.369 1.00 0.00 O ATOM 1729 CB LEU A 117 11.452 5.028 -11.448 1.00 0.00 C ATOM 1730 CG LEU A 117 10.259 4.248 -10.878 1.00 0.00 C ATOM 1731 CD1 LEU A 117 9.553 5.031 -9.769 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.256 3.996 -12.005 1.00 0.00 C ATOM 0 H LEU A 117 13.469 6.321 -12.027 1.00 0.00 H new ATOM 0 HA LEU A 117 11.976 5.901 -9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.080 5.919 -11.954 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.944 4.415 -12.203 1.00 0.00 H new ATOM 0 HG LEU A 117 10.631 3.313 -10.459 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.714 4.448 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.255 5.227 -8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.187 5.977 -10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.402 3.442 -11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.916 4.949 -12.410 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.734 3.417 -12.795 1.00 0.00 H new ATOM 1744 N VAL A 118 14.601 4.336 -9.812 1.00 0.00 N ATOM 1745 CA VAL A 118 15.462 3.276 -9.301 1.00 0.00 C ATOM 1746 C VAL A 118 16.568 3.853 -8.420 1.00 0.00 C ATOM 1747 O VAL A 118 17.069 4.954 -8.745 1.00 0.00 O ATOM 1748 CB VAL A 118 16.015 2.456 -10.473 1.00 0.00 C ATOM 1749 CG1 VAL A 118 16.923 3.289 -11.381 1.00 0.00 C ATOM 1750 CG2 VAL A 118 16.799 1.251 -9.956 1.00 0.00 C ATOM 0 H VAL A 118 15.115 5.141 -10.170 1.00 0.00 H new ATOM 0 HA VAL A 118 14.881 2.605 -8.668 1.00 0.00 H new ATOM 0 HB VAL A 118 15.158 2.123 -11.058 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.291 2.667 -12.197 1.00 0.00 H new ATOM 0 HG12 VAL A 118 16.359 4.127 -11.790 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.767 3.667 -10.804 1.00 0.00 H new ATOM 0 HG21 VAL A 118 17.185 0.679 -10.800 1.00 0.00 H new ATOM 0 HG22 VAL A 118 17.630 1.595 -9.340 1.00 0.00 H new ATOM 0 HG23 VAL A 118 16.142 0.618 -9.359 1.00 0.00 H new TER 1760 VAL A 118