USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 58 GLN : amide:sc= -1.83 K(o=-5.8,f=-7.8!) USER MOD Set 1.2: A 61 GLN : amide:sc= -3.97 K(o=-5.8,f=-6.3!) USER MOD Set 2.1: A 39 MET CE :methyl 159:sc= 0 (180deg=0) USER MOD Set 2.2: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 34 THR OG1 : rot -81:sc= 0.853 USER MOD Set 3.2: A 35 ASN : amide:sc= -4.5! C(o=-3.6!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -140:sc= -1.25 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.686 USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= -0.0706 (180deg=-0.547) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00918 USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.712) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.907 K(o=-0.91,f=-5.3!) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -0.066 (180deg=-0.466) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 52 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.09) USER MOD Single : A 53 SER OG : rot -107:sc= 0.195 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0521 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.919 -15.812 4.213 1.00 0.00 N ATOM 2 CA GLY A 1 1.714 -15.938 5.016 1.00 0.00 C ATOM 3 C GLY A 1 0.548 -15.181 4.378 1.00 0.00 C ATOM 4 O GLY A 1 -0.532 -15.741 4.193 1.00 0.00 O ATOM 0 H1 GLY A 1 3.695 -16.334 4.667 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.747 -16.203 3.265 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.178 -14.808 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.453 -16.991 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.898 -15.551 6.018 1.00 0.00 H new ATOM 8 N SER A 2 0.806 -13.922 4.057 1.00 0.00 N ATOM 9 CA SER A 2 -0.209 -13.084 3.442 1.00 0.00 C ATOM 10 C SER A 2 -0.623 -13.668 2.090 1.00 0.00 C ATOM 11 O SER A 2 -0.492 -14.870 1.864 1.00 0.00 O ATOM 12 CB SER A 2 0.293 -11.649 3.268 1.00 0.00 C ATOM 13 OG SER A 2 1.030 -11.200 4.402 1.00 0.00 O ATOM 0 H SER A 2 1.703 -13.462 4.211 1.00 0.00 H new ATOM 0 HA SER A 2 -1.077 -13.060 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.923 -11.590 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.556 -10.986 3.101 1.00 0.00 H new ATOM 0 HG SER A 2 0.802 -10.266 4.591 1.00 0.00 H new ATOM 19 N ALA A 3 -1.114 -12.792 1.227 1.00 0.00 N ATOM 20 CA ALA A 3 -1.548 -13.206 -0.097 1.00 0.00 C ATOM 21 C ALA A 3 -0.363 -13.136 -1.062 1.00 0.00 C ATOM 22 O ALA A 3 -0.234 -13.972 -1.955 1.00 0.00 O ATOM 23 CB ALA A 3 -2.719 -12.332 -0.548 1.00 0.00 C ATOM 0 H ALA A 3 -1.221 -11.796 1.418 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.900 -14.238 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.044 -12.643 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.545 -12.440 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.404 -11.289 -0.580 1.00 0.00 H new ATOM 29 N GLY A 4 0.475 -12.131 -0.850 1.00 0.00 N ATOM 30 CA GLY A 4 1.645 -11.942 -1.690 1.00 0.00 C ATOM 31 C GLY A 4 2.277 -10.570 -1.446 1.00 0.00 C ATOM 32 O GLY A 4 1.927 -9.881 -0.490 1.00 0.00 O ATOM 0 H GLY A 4 0.366 -11.439 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.375 -12.725 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.364 -12.036 -2.739 1.00 0.00 H new ATOM 36 N LYS A 5 3.199 -10.214 -2.330 1.00 0.00 N ATOM 37 CA LYS A 5 3.883 -8.937 -2.224 1.00 0.00 C ATOM 38 C LYS A 5 3.228 -7.931 -3.172 1.00 0.00 C ATOM 39 O LYS A 5 3.143 -8.172 -4.376 1.00 0.00 O ATOM 40 CB LYS A 5 5.385 -9.113 -2.457 1.00 0.00 C ATOM 41 CG LYS A 5 5.674 -9.486 -3.913 1.00 0.00 C ATOM 42 CD LYS A 5 7.179 -9.619 -4.156 1.00 0.00 C ATOM 43 CE LYS A 5 7.753 -8.333 -4.754 1.00 0.00 C ATOM 44 NZ LYS A 5 8.554 -8.635 -5.961 1.00 0.00 N ATOM 0 H LYS A 5 3.488 -10.788 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 5 3.785 -8.535 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.907 -8.190 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.771 -9.889 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.178 -10.426 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.261 -8.726 -4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.684 -9.845 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.370 -10.454 -4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.942 -7.651 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.375 -7.827 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.936 -7.751 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.339 -9.269 -5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.951 -9.098 -6.671 1.00 0.00 H new ATOM 58 N PHE A 6 2.781 -6.826 -2.594 1.00 0.00 N ATOM 59 CA PHE A 6 2.136 -5.783 -3.373 1.00 0.00 C ATOM 60 C PHE A 6 2.995 -4.517 -3.412 1.00 0.00 C ATOM 61 O PHE A 6 3.878 -4.336 -2.575 1.00 0.00 O ATOM 62 CB PHE A 6 0.809 -5.463 -2.681 1.00 0.00 C ATOM 63 CG PHE A 6 -0.211 -6.602 -2.735 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.076 -7.800 -2.158 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.405 -6.417 -3.359 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.872 -8.856 -2.209 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.352 -7.474 -3.410 1.00 0.00 C ATOM 68 CZ PHE A 6 -2.065 -8.671 -2.833 1.00 0.00 C ATOM 0 H PHE A 6 2.853 -6.630 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 6 1.989 -6.122 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.006 -5.214 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.374 -4.577 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.024 -7.948 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.633 -5.466 -3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.645 -9.807 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.300 -7.327 -3.907 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.785 -9.475 -2.871 1.00 0.00 H new ATOM 78 N ILE A 7 2.706 -3.675 -4.394 1.00 0.00 N ATOM 79 CA ILE A 7 3.441 -2.431 -4.553 1.00 0.00 C ATOM 80 C ILE A 7 2.470 -1.318 -4.949 1.00 0.00 C ATOM 81 O ILE A 7 2.105 -1.192 -6.117 1.00 0.00 O ATOM 82 CB ILE A 7 4.599 -2.616 -5.536 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.661 -4.057 -6.046 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.923 -2.170 -4.913 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.877 -4.267 -6.950 1.00 0.00 C ATOM 0 H ILE A 7 1.974 -3.830 -5.087 1.00 0.00 H new ATOM 0 HA ILE A 7 3.898 -2.134 -3.609 1.00 0.00 H new ATOM 0 HB ILE A 7 4.419 -1.977 -6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.709 -4.744 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.750 -4.291 -6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.730 -2.312 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.860 -1.116 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.124 -2.764 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.897 -5.300 -7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.814 -3.596 -7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.788 -4.055 -6.390 1.00 0.00 H new ATOM 97 N VAL A 8 2.078 -0.536 -3.953 1.00 0.00 N ATOM 98 CA VAL A 8 1.156 0.563 -4.182 1.00 0.00 C ATOM 99 C VAL A 8 1.920 1.887 -4.107 1.00 0.00 C ATOM 100 O VAL A 8 3.070 1.920 -3.674 1.00 0.00 O ATOM 101 CB VAL A 8 -0.007 0.486 -3.191 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.294 -0.963 -2.795 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.267 1.349 -1.957 1.00 0.00 C ATOM 0 H VAL A 8 2.383 -0.642 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 8 0.720 0.495 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.895 0.880 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.125 -0.990 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.553 -1.538 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.591 -1.395 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.575 1.277 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.172 0.998 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.399 2.387 -2.261 1.00 0.00 H new ATOM 113 N ILE A 9 1.248 2.946 -4.534 1.00 0.00 N ATOM 114 CA ILE A 9 1.849 4.269 -4.521 1.00 0.00 C ATOM 115 C ILE A 9 0.806 5.292 -4.069 1.00 0.00 C ATOM 116 O ILE A 9 -0.392 5.014 -4.086 1.00 0.00 O ATOM 117 CB ILE A 9 2.474 4.587 -5.879 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.000 4.669 -5.776 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.872 5.861 -6.476 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.642 3.311 -6.064 1.00 0.00 C ATOM 0 H ILE A 9 0.293 2.915 -4.891 1.00 0.00 H new ATOM 0 HA ILE A 9 2.668 4.309 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 9 2.240 3.770 -6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.376 5.410 -6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.283 5.005 -4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.335 6.064 -7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.798 5.729 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.054 6.699 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.726 3.397 -5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.282 2.578 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.377 2.989 -7.071 1.00 0.00 H new ATOM 132 N PHE A 10 1.300 6.458 -3.674 1.00 0.00 N ATOM 133 CA PHE A 10 0.425 7.525 -3.219 1.00 0.00 C ATOM 134 C PHE A 10 0.601 8.781 -4.074 1.00 0.00 C ATOM 135 O PHE A 10 1.720 9.137 -4.439 1.00 0.00 O ATOM 136 CB PHE A 10 0.824 7.845 -1.776 1.00 0.00 C ATOM 137 CG PHE A 10 1.020 6.609 -0.896 1.00 0.00 C ATOM 138 CD1 PHE A 10 -0.050 6.030 -0.289 1.00 0.00 C ATOM 139 CD2 PHE A 10 2.265 6.089 -0.722 1.00 0.00 C ATOM 140 CE1 PHE A 10 0.131 4.882 0.528 1.00 0.00 C ATOM 141 CE2 PHE A 10 2.446 4.941 0.094 1.00 0.00 C ATOM 142 CZ PHE A 10 1.375 4.362 0.702 1.00 0.00 C ATOM 0 H PHE A 10 2.294 6.686 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.616 7.210 -3.294 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.749 8.422 -1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.057 8.478 -1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.038 6.443 -0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.115 6.549 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.719 4.423 1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.434 4.527 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.513 3.489 1.323 1.00 0.00 H new ATOM 152 N LYS A 11 -0.522 9.420 -4.370 1.00 0.00 N ATOM 153 CA LYS A 11 -0.506 10.629 -5.175 1.00 0.00 C ATOM 154 C LYS A 11 0.566 11.580 -4.639 1.00 0.00 C ATOM 155 O LYS A 11 1.190 11.303 -3.616 1.00 0.00 O ATOM 156 CB LYS A 11 -1.903 11.249 -5.238 1.00 0.00 C ATOM 157 CG LYS A 11 -2.417 11.584 -3.837 1.00 0.00 C ATOM 158 CD LYS A 11 -3.888 12.005 -3.879 1.00 0.00 C ATOM 159 CE LYS A 11 -4.063 13.307 -4.664 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.490 13.530 -4.986 1.00 0.00 N ATOM 0 H LYS A 11 -1.449 9.122 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.239 10.397 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.876 12.154 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.590 10.558 -5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.302 10.717 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.817 12.387 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.483 11.216 -4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.262 12.135 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.681 14.145 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.479 13.266 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.591 14.418 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.844 12.739 -5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.039 13.591 -4.105 1.00 0.00 H new ATOM 174 N ASN A 12 0.745 12.681 -5.353 1.00 0.00 N ATOM 175 CA ASN A 12 1.731 13.675 -4.962 1.00 0.00 C ATOM 176 C ASN A 12 1.067 14.718 -4.061 1.00 0.00 C ATOM 177 O ASN A 12 1.393 15.901 -4.131 1.00 0.00 O ATOM 178 CB ASN A 12 2.300 14.398 -6.184 1.00 0.00 C ATOM 179 CG ASN A 12 3.825 14.484 -6.110 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.546 13.643 -6.621 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.275 15.547 -5.449 1.00 0.00 N ATOM 0 H ASN A 12 0.224 12.907 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 12 2.538 13.162 -4.440 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.006 13.872 -7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.878 15.401 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.279 15.696 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.616 16.213 -5.045 1.00 0.00 H new ATOM 188 N ASP A 13 0.147 14.240 -3.235 1.00 0.00 N ATOM 189 CA ASP A 13 -0.566 15.117 -2.322 1.00 0.00 C ATOM 190 C ASP A 13 -0.387 14.608 -0.890 1.00 0.00 C ATOM 191 O ASP A 13 -0.109 15.388 0.020 1.00 0.00 O ATOM 192 CB ASP A 13 -2.064 15.136 -2.633 1.00 0.00 C ATOM 193 CG ASP A 13 -2.890 16.100 -1.778 1.00 0.00 C ATOM 194 OD1 ASP A 13 -3.348 15.654 -0.704 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.043 17.260 -2.218 1.00 0.00 O ATOM 0 H ASP A 13 -0.121 13.257 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.162 16.123 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.199 15.398 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.460 14.129 -2.503 1.00 0.00 H new ATOM 200 N VAL A 14 -0.553 13.303 -0.735 1.00 0.00 N ATOM 201 CA VAL A 14 -0.413 12.681 0.571 1.00 0.00 C ATOM 202 C VAL A 14 0.764 13.318 1.311 1.00 0.00 C ATOM 203 O VAL A 14 1.717 13.784 0.686 1.00 0.00 O ATOM 204 CB VAL A 14 -0.273 11.165 0.416 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.498 10.813 -0.857 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.392 10.547 1.648 1.00 0.00 C ATOM 0 H VAL A 14 -0.783 12.659 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.305 12.852 1.173 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.274 10.743 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.583 9.730 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.033 11.205 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.494 11.253 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.479 9.469 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.384 10.978 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.214 10.753 2.530 1.00 0.00 H new ATOM 216 N SER A 15 0.662 13.317 2.632 1.00 0.00 N ATOM 217 CA SER A 15 1.708 13.890 3.464 1.00 0.00 C ATOM 218 C SER A 15 2.731 12.814 3.831 1.00 0.00 C ATOM 219 O SER A 15 2.461 11.621 3.692 1.00 0.00 O ATOM 220 CB SER A 15 1.122 14.519 4.729 1.00 0.00 C ATOM 221 OG SER A 15 1.032 13.583 5.800 1.00 0.00 O ATOM 0 H SER A 15 -0.128 12.929 3.147 1.00 0.00 H new ATOM 0 HA SER A 15 2.205 14.677 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.742 15.361 5.035 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.131 14.916 4.510 1.00 0.00 H new ATOM 0 HG SER A 15 0.655 14.024 6.589 1.00 0.00 H new ATOM 227 N GLU A 16 3.885 13.273 4.294 1.00 0.00 N ATOM 228 CA GLU A 16 4.950 12.365 4.683 1.00 0.00 C ATOM 229 C GLU A 16 4.487 11.463 5.828 1.00 0.00 C ATOM 230 O GLU A 16 4.579 10.240 5.736 1.00 0.00 O ATOM 231 CB GLU A 16 6.214 13.135 5.068 1.00 0.00 C ATOM 232 CG GLU A 16 7.451 12.239 4.980 1.00 0.00 C ATOM 233 CD GLU A 16 8.681 13.043 4.554 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.834 14.168 5.078 1.00 0.00 O ATOM 235 OE2 GLU A 16 9.441 12.514 3.714 1.00 0.00 O ATOM 0 H GLU A 16 4.105 14.262 4.408 1.00 0.00 H new ATOM 0 HA GLU A 16 5.195 11.736 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.336 13.994 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.113 13.523 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.635 11.771 5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.272 11.435 4.266 1.00 0.00 H new ATOM 242 N ASP A 17 3.998 12.102 6.881 1.00 0.00 N ATOM 243 CA ASP A 17 3.520 11.371 8.044 1.00 0.00 C ATOM 244 C ASP A 17 2.423 10.397 7.613 1.00 0.00 C ATOM 245 O ASP A 17 2.352 9.275 8.113 1.00 0.00 O ATOM 246 CB ASP A 17 2.926 12.322 9.084 1.00 0.00 C ATOM 247 CG ASP A 17 3.901 12.789 10.167 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.573 13.814 9.921 1.00 0.00 O ATOM 249 OD2 ASP A 17 3.953 12.110 11.215 1.00 0.00 O ATOM 0 H ASP A 17 3.922 13.117 6.954 1.00 0.00 H new ATOM 0 HA ASP A 17 4.366 10.840 8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.532 13.198 8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.082 11.828 9.565 1.00 0.00 H new ATOM 254 N LYS A 18 1.594 10.860 6.688 1.00 0.00 N ATOM 255 CA LYS A 18 0.503 10.042 6.184 1.00 0.00 C ATOM 256 C LYS A 18 1.076 8.783 5.529 1.00 0.00 C ATOM 257 O LYS A 18 0.600 7.676 5.782 1.00 0.00 O ATOM 258 CB LYS A 18 -0.396 10.862 5.257 1.00 0.00 C ATOM 259 CG LYS A 18 -1.723 11.200 5.940 1.00 0.00 C ATOM 260 CD LYS A 18 -2.857 10.326 5.398 1.00 0.00 C ATOM 261 CE LYS A 18 -3.530 10.986 4.193 1.00 0.00 C ATOM 262 NZ LYS A 18 -4.252 12.210 4.608 1.00 0.00 N ATOM 0 H LYS A 18 1.656 11.790 6.275 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.137 9.713 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.114 11.781 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.586 10.303 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.630 11.055 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.961 12.252 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.464 9.351 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.595 10.154 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.780 11.236 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.225 10.286 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.039 12.388 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.625 12.083 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.599 13.020 4.593 1.00 0.00 H new ATOM 276 N ILE A 19 2.090 8.993 4.703 1.00 0.00 N ATOM 277 CA ILE A 19 2.733 7.888 4.011 1.00 0.00 C ATOM 278 C ILE A 19 3.154 6.828 5.031 1.00 0.00 C ATOM 279 O ILE A 19 2.736 5.676 4.942 1.00 0.00 O ATOM 280 CB ILE A 19 3.884 8.398 3.142 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.612 8.131 1.660 1.00 0.00 C ATOM 282 CG2 ILE A 19 5.218 7.803 3.596 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.650 8.827 0.778 1.00 0.00 C ATOM 0 H ILE A 19 2.483 9.912 4.497 1.00 0.00 H new ATOM 0 HA ILE A 19 2.034 7.409 3.325 1.00 0.00 H new ATOM 0 HB ILE A 19 3.954 9.479 3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.630 7.058 1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.614 8.484 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.020 8.182 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.409 8.086 4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.177 6.717 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.434 8.621 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.613 9.902 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.644 8.454 1.023 1.00 0.00 H new ATOM 295 N ARG A 20 3.976 7.258 5.977 1.00 0.00 N ATOM 296 CA ARG A 20 4.460 6.361 7.013 1.00 0.00 C ATOM 297 C ARG A 20 3.282 5.740 7.768 1.00 0.00 C ATOM 298 O ARG A 20 3.364 4.600 8.224 1.00 0.00 O ATOM 299 CB ARG A 20 5.360 7.099 8.005 1.00 0.00 C ATOM 300 CG ARG A 20 6.643 7.583 7.326 1.00 0.00 C ATOM 301 CD ARG A 20 7.048 8.965 7.841 1.00 0.00 C ATOM 302 NE ARG A 20 8.386 8.900 8.469 1.00 0.00 N ATOM 303 CZ ARG A 20 8.937 9.900 9.170 1.00 0.00 C ATOM 304 NH1 ARG A 20 8.268 11.049 9.338 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.156 9.752 9.705 1.00 0.00 N ATOM 0 H ARG A 20 4.319 8.216 6.048 1.00 0.00 H new ATOM 0 HA ARG A 20 5.041 5.577 6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.823 7.950 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.610 6.439 8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.448 6.872 7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.495 7.622 6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.058 9.680 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.315 9.322 8.564 1.00 0.00 H new ATOM 0 HE ARG A 20 8.923 8.039 8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.339 11.162 8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.688 11.810 9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.666 8.877 9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.575 10.514 10.239 1.00 0.00 H new ATOM 319 N GLU A 21 2.213 6.516 7.875 1.00 0.00 N ATOM 320 CA GLU A 21 1.021 6.055 8.567 1.00 0.00 C ATOM 321 C GLU A 21 0.383 4.892 7.807 1.00 0.00 C ATOM 322 O GLU A 21 0.344 3.767 8.305 1.00 0.00 O ATOM 323 CB GLU A 21 0.023 7.199 8.758 1.00 0.00 C ATOM 324 CG GLU A 21 0.429 8.091 9.933 1.00 0.00 C ATOM 325 CD GLU A 21 -0.719 8.234 10.935 1.00 0.00 C ATOM 326 OE1 GLU A 21 -1.623 9.049 10.649 1.00 0.00 O ATOM 327 OE2 GLU A 21 -0.667 7.525 11.963 1.00 0.00 O ATOM 0 H GLU A 21 2.147 7.460 7.494 1.00 0.00 H new ATOM 0 HA GLU A 21 1.312 5.701 9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.032 7.795 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.973 6.792 8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.301 7.667 10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.719 9.075 9.564 1.00 0.00 H new ATOM 334 N THR A 22 -0.101 5.201 6.612 1.00 0.00 N ATOM 335 CA THR A 22 -0.736 4.195 5.779 1.00 0.00 C ATOM 336 C THR A 22 0.052 2.883 5.831 1.00 0.00 C ATOM 337 O THR A 22 -0.535 1.805 5.878 1.00 0.00 O ATOM 338 CB THR A 22 -0.871 4.766 4.367 1.00 0.00 C ATOM 339 OG1 THR A 22 -1.618 5.967 4.548 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.760 3.904 3.468 1.00 0.00 C ATOM 0 H THR A 22 -0.066 6.134 6.202 1.00 0.00 H new ATOM 0 HA THR A 22 -1.734 3.953 6.144 1.00 0.00 H new ATOM 0 HB THR A 22 0.117 4.858 3.917 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.750 6.404 3.681 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.822 4.355 2.478 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.334 2.904 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.759 3.838 3.900 1.00 0.00 H new ATOM 348 N LYS A 23 1.369 3.023 5.822 1.00 0.00 N ATOM 349 CA LYS A 23 2.244 1.863 5.868 1.00 0.00 C ATOM 350 C LYS A 23 2.048 1.133 7.198 1.00 0.00 C ATOM 351 O LYS A 23 1.816 -0.075 7.219 1.00 0.00 O ATOM 352 CB LYS A 23 3.694 2.275 5.600 1.00 0.00 C ATOM 353 CG LYS A 23 4.034 2.151 4.114 1.00 0.00 C ATOM 354 CD LYS A 23 5.481 2.570 3.846 1.00 0.00 C ATOM 355 CE LYS A 23 5.587 4.086 3.661 1.00 0.00 C ATOM 356 NZ LYS A 23 6.998 4.522 3.757 1.00 0.00 N ATOM 0 H LYS A 23 1.852 3.921 5.784 1.00 0.00 H new ATOM 0 HA LYS A 23 1.985 1.159 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.850 3.303 5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.368 1.648 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.883 1.122 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.357 2.774 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.114 2.256 4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.851 2.064 2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.178 4.370 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.991 4.594 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.036 5.503 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.508 3.903 4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.443 4.467 2.819 1.00 0.00 H new ATOM 370 N ASP A 24 2.145 1.898 8.276 1.00 0.00 N ATOM 371 CA ASP A 24 1.980 1.338 9.607 1.00 0.00 C ATOM 372 C ASP A 24 0.552 0.813 9.761 1.00 0.00 C ATOM 373 O ASP A 24 0.337 -0.246 10.348 1.00 0.00 O ATOM 374 CB ASP A 24 2.213 2.401 10.683 1.00 0.00 C ATOM 375 CG ASP A 24 3.596 2.367 11.337 1.00 0.00 C ATOM 376 OD1 ASP A 24 4.462 1.645 10.796 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.755 3.063 12.363 1.00 0.00 O ATOM 0 H ASP A 24 2.336 2.900 8.255 1.00 0.00 H new ATOM 0 HA ASP A 24 2.708 0.536 9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.062 3.385 10.239 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.457 2.282 11.460 1.00 0.00 H new ATOM 382 N GLU A 25 -0.388 1.578 9.225 1.00 0.00 N ATOM 383 CA GLU A 25 -1.789 1.203 9.297 1.00 0.00 C ATOM 384 C GLU A 25 -1.982 -0.228 8.792 1.00 0.00 C ATOM 385 O GLU A 25 -2.776 -0.984 9.350 1.00 0.00 O ATOM 386 CB GLU A 25 -2.660 2.184 8.508 1.00 0.00 C ATOM 387 CG GLU A 25 -3.767 2.765 9.390 1.00 0.00 C ATOM 388 CD GLU A 25 -5.140 2.236 8.966 1.00 0.00 C ATOM 389 OE1 GLU A 25 -5.404 2.260 7.744 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.892 1.821 9.873 1.00 0.00 O ATOM 0 H GLU A 25 -0.206 2.456 8.739 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.103 1.245 10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.041 2.991 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.102 1.676 7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.580 2.507 10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.756 3.853 9.324 1.00 0.00 H new ATOM 397 N VAL A 26 -1.242 -0.557 7.743 1.00 0.00 N ATOM 398 CA VAL A 26 -1.322 -1.884 7.158 1.00 0.00 C ATOM 399 C VAL A 26 -0.622 -2.886 8.079 1.00 0.00 C ATOM 400 O VAL A 26 -1.027 -4.045 8.164 1.00 0.00 O ATOM 401 CB VAL A 26 -0.741 -1.868 5.742 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.643 -2.518 5.710 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.690 -2.548 4.753 1.00 0.00 C ATOM 0 H VAL A 26 -0.584 0.073 7.283 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.362 -2.198 7.065 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.629 -0.828 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.033 -2.494 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.317 -1.972 6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.567 -3.553 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.254 -2.523 3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.848 -3.584 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.645 -2.022 4.745 1.00 0.00 H new ATOM 413 N ILE A 27 0.414 -2.403 8.748 1.00 0.00 N ATOM 414 CA ILE A 27 1.174 -3.242 9.660 1.00 0.00 C ATOM 415 C ILE A 27 0.273 -3.673 10.819 1.00 0.00 C ATOM 416 O ILE A 27 0.072 -4.864 11.044 1.00 0.00 O ATOM 417 CB ILE A 27 2.451 -2.528 10.106 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.305 -2.128 8.901 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.235 -3.381 11.106 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.292 -3.239 8.536 1.00 0.00 C ATOM 0 H ILE A 27 0.746 -1.441 8.677 1.00 0.00 H new ATOM 0 HA ILE A 27 1.504 -4.151 9.157 1.00 0.00 H new ATOM 0 HB ILE A 27 2.167 -1.609 10.619 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.660 -1.915 8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.850 -1.211 9.125 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.138 -2.851 11.407 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.617 -3.573 11.983 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.509 -4.328 10.641 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.887 -2.929 7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.951 -3.433 9.382 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.742 -4.147 8.289 1.00 0.00 H new ATOM 432 N ALA A 28 -0.246 -2.678 11.524 1.00 0.00 N ATOM 433 CA ALA A 28 -1.121 -2.939 12.654 1.00 0.00 C ATOM 434 C ALA A 28 -2.392 -3.634 12.161 1.00 0.00 C ATOM 435 O ALA A 28 -2.958 -4.472 12.861 1.00 0.00 O ATOM 436 CB ALA A 28 -1.419 -1.628 13.384 1.00 0.00 C ATOM 0 H ALA A 28 -0.077 -1.690 11.334 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.637 -3.606 13.367 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.076 -1.825 14.232 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.487 -1.190 13.741 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.907 -0.934 12.700 1.00 0.00 H new ATOM 442 N GLU A 29 -2.803 -3.259 10.958 1.00 0.00 N ATOM 443 CA GLU A 29 -3.996 -3.836 10.363 1.00 0.00 C ATOM 444 C GLU A 29 -3.765 -5.313 10.034 1.00 0.00 C ATOM 445 O GLU A 29 -4.314 -6.192 10.697 1.00 0.00 O ATOM 446 CB GLU A 29 -4.418 -3.057 9.116 1.00 0.00 C ATOM 447 CG GLU A 29 -5.591 -3.740 8.411 1.00 0.00 C ATOM 448 CD GLU A 29 -5.113 -4.535 7.194 1.00 0.00 C ATOM 449 OE1 GLU A 29 -4.284 -3.976 6.443 1.00 0.00 O ATOM 450 OE2 GLU A 29 -5.587 -5.682 7.042 1.00 0.00 O ATOM 0 H GLU A 29 -2.331 -2.563 10.380 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.808 -3.768 11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.699 -2.042 9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.574 -2.977 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.100 -4.406 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.318 -2.990 8.097 1.00 0.00 H new ATOM 457 N GLY A 30 -2.954 -5.538 9.012 1.00 0.00 N ATOM 458 CA GLY A 30 -2.645 -6.894 8.588 1.00 0.00 C ATOM 459 C GLY A 30 -1.377 -6.923 7.731 1.00 0.00 C ATOM 460 O GLY A 30 -0.358 -7.476 8.141 1.00 0.00 O ATOM 0 H GLY A 30 -2.501 -4.806 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.512 -7.531 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.482 -7.301 8.020 1.00 0.00 H new ATOM 464 N GLY A 31 -1.482 -6.321 6.555 1.00 0.00 N ATOM 465 CA GLY A 31 -0.357 -6.271 5.636 1.00 0.00 C ATOM 466 C GLY A 31 0.934 -5.904 6.370 1.00 0.00 C ATOM 467 O GLY A 31 0.903 -5.541 7.544 1.00 0.00 O ATOM 0 H GLY A 31 -2.329 -5.864 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.239 -7.238 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.555 -5.539 4.853 1.00 0.00 H new ATOM 471 N THR A 32 2.038 -6.012 5.646 1.00 0.00 N ATOM 472 CA THR A 32 3.339 -5.695 6.214 1.00 0.00 C ATOM 473 C THR A 32 4.186 -4.920 5.204 1.00 0.00 C ATOM 474 O THR A 32 3.765 -4.707 4.068 1.00 0.00 O ATOM 475 CB THR A 32 3.985 -7.003 6.673 1.00 0.00 C ATOM 476 OG1 THR A 32 2.888 -7.899 6.824 1.00 0.00 O ATOM 477 CG2 THR A 32 4.580 -6.901 8.079 1.00 0.00 C ATOM 0 H THR A 32 2.060 -6.314 4.672 1.00 0.00 H new ATOM 0 HA THR A 32 3.244 -5.041 7.081 1.00 0.00 H new ATOM 0 HB THR A 32 4.766 -7.288 5.968 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.218 -8.774 7.118 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.026 -7.856 8.356 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.346 -6.125 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.793 -6.648 8.790 1.00 0.00 H new ATOM 485 N ILE A 33 5.366 -4.518 5.655 1.00 0.00 N ATOM 486 CA ILE A 33 6.277 -3.771 4.804 1.00 0.00 C ATOM 487 C ILE A 33 7.680 -4.370 4.916 1.00 0.00 C ATOM 488 O ILE A 33 8.177 -4.592 6.019 1.00 0.00 O ATOM 489 CB ILE A 33 6.218 -2.278 5.137 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.774 -1.771 5.126 1.00 0.00 C ATOM 491 CG2 ILE A 33 7.115 -1.470 4.197 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.253 -1.630 3.694 1.00 0.00 C ATOM 0 H ILE A 33 5.712 -4.695 6.598 1.00 0.00 H new ATOM 0 HA ILE A 33 5.977 -3.854 3.759 1.00 0.00 H new ATOM 0 HB ILE A 33 6.602 -2.138 6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.139 -2.461 5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.719 -0.808 5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.054 -0.413 4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.146 -1.809 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.785 -1.611 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.225 -1.268 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.876 -0.921 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.286 -2.600 3.198 1.00 0.00 H new ATOM 504 N THR A 34 8.279 -4.614 3.760 1.00 0.00 N ATOM 505 CA THR A 34 9.615 -5.184 3.714 1.00 0.00 C ATOM 506 C THR A 34 10.600 -4.187 3.101 1.00 0.00 C ATOM 507 O THR A 34 11.785 -4.199 3.426 1.00 0.00 O ATOM 508 CB THR A 34 9.538 -6.509 2.953 1.00 0.00 C ATOM 509 OG1 THR A 34 10.887 -6.965 2.914 1.00 0.00 O ATOM 510 CG2 THR A 34 9.167 -6.318 1.482 1.00 0.00 C ATOM 0 H THR A 34 7.864 -4.427 2.847 1.00 0.00 H new ATOM 0 HA THR A 34 9.992 -5.390 4.716 1.00 0.00 H new ATOM 0 HB THR A 34 8.806 -7.160 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.366 -6.509 2.191 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.126 -7.289 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.193 -5.834 1.412 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.917 -5.695 0.995 1.00 0.00 H new ATOM 518 N ASN A 35 10.070 -3.347 2.223 1.00 0.00 N ATOM 519 CA ASN A 35 10.888 -2.344 1.561 1.00 0.00 C ATOM 520 C ASN A 35 9.985 -1.238 1.011 1.00 0.00 C ATOM 521 O ASN A 35 9.147 -1.488 0.146 1.00 0.00 O ATOM 522 CB ASN A 35 11.660 -2.951 0.387 1.00 0.00 C ATOM 523 CG ASN A 35 12.442 -4.190 0.827 1.00 0.00 C ATOM 524 OD1 ASN A 35 11.929 -5.295 0.875 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.710 -3.945 1.145 1.00 0.00 N ATOM 0 H ASN A 35 9.086 -3.340 1.955 1.00 0.00 H new ATOM 0 HA ASN A 35 11.594 -1.948 2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.966 -3.219 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.346 -2.210 -0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.315 -4.707 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.077 -2.995 1.083 1.00 0.00 H new ATOM 532 N GLU A 36 10.187 -0.038 1.536 1.00 0.00 N ATOM 533 CA GLU A 36 9.401 1.107 1.109 1.00 0.00 C ATOM 534 C GLU A 36 10.154 1.898 0.039 1.00 0.00 C ATOM 535 O GLU A 36 11.352 1.695 -0.161 1.00 0.00 O ATOM 536 CB GLU A 36 9.042 2.000 2.299 1.00 0.00 C ATOM 537 CG GLU A 36 10.163 2.998 2.593 1.00 0.00 C ATOM 538 CD GLU A 36 11.427 2.278 3.066 1.00 0.00 C ATOM 539 OE1 GLU A 36 11.541 2.078 4.296 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.252 1.945 2.189 1.00 0.00 O ATOM 0 H GLU A 36 10.883 0.166 2.253 1.00 0.00 H new ATOM 0 HA GLU A 36 8.470 0.742 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.117 2.538 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.859 1.383 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.384 3.577 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.835 3.704 3.356 1.00 0.00 H new ATOM 547 N TYR A 37 9.423 2.783 -0.623 1.00 0.00 N ATOM 548 CA TYR A 37 10.008 3.605 -1.668 1.00 0.00 C ATOM 549 C TYR A 37 9.971 5.086 -1.286 1.00 0.00 C ATOM 550 O TYR A 37 9.024 5.795 -1.621 1.00 0.00 O ATOM 551 CB TYR A 37 9.139 3.391 -2.909 1.00 0.00 C ATOM 552 CG TYR A 37 9.296 2.008 -3.547 1.00 0.00 C ATOM 553 CD1 TYR A 37 9.026 0.874 -2.811 1.00 0.00 C ATOM 554 CD2 TYR A 37 9.708 1.897 -4.860 1.00 0.00 C ATOM 555 CE1 TYR A 37 9.174 -0.426 -3.411 1.00 0.00 C ATOM 556 CE2 TYR A 37 9.856 0.597 -5.461 1.00 0.00 C ATOM 557 CZ TYR A 37 9.582 -0.501 -4.706 1.00 0.00 C ATOM 558 OH TYR A 37 9.722 -1.728 -5.274 1.00 0.00 O ATOM 0 H TYR A 37 8.431 2.949 -0.456 1.00 0.00 H new ATOM 0 HA TYR A 37 11.050 3.330 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.094 3.538 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.387 4.152 -3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.703 0.961 -1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.919 2.785 -5.436 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.966 -1.322 -2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.177 0.496 -6.487 1.00 0.00 H new ATOM 0 HH TYR A 37 10.018 -1.627 -6.203 1.00 0.00 H new ATOM 568 N ASN A 38 11.016 5.510 -0.589 1.00 0.00 N ATOM 569 CA ASN A 38 11.117 6.894 -0.157 1.00 0.00 C ATOM 570 C ASN A 38 11.793 7.718 -1.254 1.00 0.00 C ATOM 571 O ASN A 38 12.972 8.050 -1.148 1.00 0.00 O ATOM 572 CB ASN A 38 11.959 7.014 1.114 1.00 0.00 C ATOM 573 CG ASN A 38 13.255 6.209 0.991 1.00 0.00 C ATOM 574 OD1 ASN A 38 13.669 5.812 -0.086 1.00 0.00 O ATOM 575 ND2 ASN A 38 13.868 5.991 2.150 1.00 0.00 N ATOM 0 H ASN A 38 11.800 4.919 -0.313 1.00 0.00 H new ATOM 0 HA ASN A 38 10.110 7.260 0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.194 8.062 1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.385 6.658 1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.740 5.463 2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.466 6.352 3.015 1.00 0.00 H new ATOM 582 N MET A 39 11.017 8.027 -2.283 1.00 0.00 N ATOM 583 CA MET A 39 11.527 8.805 -3.398 1.00 0.00 C ATOM 584 C MET A 39 10.739 10.107 -3.563 1.00 0.00 C ATOM 585 O MET A 39 9.583 10.193 -3.153 1.00 0.00 O ATOM 586 CB MET A 39 11.428 7.982 -4.684 1.00 0.00 C ATOM 587 CG MET A 39 12.789 7.397 -5.067 1.00 0.00 C ATOM 588 SD MET A 39 13.245 7.933 -6.707 1.00 0.00 S ATOM 589 CE MET A 39 12.683 6.532 -7.658 1.00 0.00 C ATOM 0 H MET A 39 10.038 7.752 -2.367 1.00 0.00 H new ATOM 0 HA MET A 39 12.569 9.055 -3.196 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.707 7.176 -4.549 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.057 8.610 -5.494 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.545 7.714 -4.349 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.750 6.308 -5.029 1.00 0.00 H new ATOM 0 HE1 MET A 39 12.541 6.831 -8.697 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.426 5.736 -7.608 1.00 0.00 H new ATOM 0 HE3 MET A 39 11.738 6.172 -7.251 1.00 0.00 H new ATOM 599 N PRO A 40 11.414 11.113 -4.181 1.00 0.00 N ATOM 600 CA PRO A 40 10.790 12.406 -4.405 1.00 0.00 C ATOM 601 C PRO A 40 9.778 12.335 -5.550 1.00 0.00 C ATOM 602 O PRO A 40 8.661 12.835 -5.429 1.00 0.00 O ATOM 603 CB PRO A 40 11.942 13.355 -4.690 1.00 0.00 C ATOM 604 CG PRO A 40 13.122 12.476 -5.072 1.00 0.00 C ATOM 605 CD PRO A 40 12.785 11.046 -4.680 1.00 0.00 C ATOM 0 HA PRO A 40 10.212 12.748 -3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.690 14.043 -5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.174 13.961 -3.815 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.317 12.542 -6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.026 12.808 -4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.864 10.372 -5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.467 10.673 -3.916 1.00 0.00 H new ATOM 613 N GLY A 41 10.205 11.708 -6.637 1.00 0.00 N ATOM 614 CA GLY A 41 9.350 11.565 -7.804 1.00 0.00 C ATOM 615 C GLY A 41 8.486 10.307 -7.699 1.00 0.00 C ATOM 616 O GLY A 41 7.681 10.027 -8.585 1.00 0.00 O ATOM 0 H GLY A 41 11.132 11.293 -6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.711 12.443 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.962 11.516 -8.704 1.00 0.00 H new ATOM 620 N MET A 42 8.682 9.582 -6.606 1.00 0.00 N ATOM 621 CA MET A 42 7.930 8.362 -6.374 1.00 0.00 C ATOM 622 C MET A 42 7.735 8.115 -4.877 1.00 0.00 C ATOM 623 O MET A 42 8.706 7.988 -4.133 1.00 0.00 O ATOM 624 CB MET A 42 8.676 7.177 -6.994 1.00 0.00 C ATOM 625 CG MET A 42 7.709 6.044 -7.344 1.00 0.00 C ATOM 626 SD MET A 42 7.909 5.577 -9.056 1.00 0.00 S ATOM 627 CE MET A 42 9.302 4.472 -8.915 1.00 0.00 C ATOM 0 H MET A 42 9.351 9.817 -5.873 1.00 0.00 H new ATOM 0 HA MET A 42 6.949 8.468 -6.837 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.201 7.503 -7.892 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.431 6.813 -6.297 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.895 5.184 -6.700 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.682 6.362 -7.163 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.561 4.086 -9.901 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.154 5.011 -8.501 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.043 3.642 -8.257 1.00 0.00 H new ATOM 637 N LYS A 43 6.472 8.053 -4.480 1.00 0.00 N ATOM 638 CA LYS A 43 6.137 7.822 -3.085 1.00 0.00 C ATOM 639 C LYS A 43 5.249 6.581 -2.976 1.00 0.00 C ATOM 640 O LYS A 43 4.040 6.657 -3.194 1.00 0.00 O ATOM 641 CB LYS A 43 5.516 9.078 -2.469 1.00 0.00 C ATOM 642 CG LYS A 43 6.580 9.932 -1.774 1.00 0.00 C ATOM 643 CD LYS A 43 6.687 11.311 -2.427 1.00 0.00 C ATOM 644 CE LYS A 43 6.078 12.391 -1.531 1.00 0.00 C ATOM 645 NZ LYS A 43 6.864 12.536 -0.285 1.00 0.00 N ATOM 0 H LYS A 43 5.669 8.159 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 43 7.038 7.621 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.025 9.664 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.747 8.793 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.330 10.044 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.545 9.427 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.734 11.544 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.176 11.302 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.052 13.341 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.047 12.132 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.772 13.508 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.508 11.869 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.865 12.332 -0.480 1.00 0.00 H new ATOM 659 N GLY A 44 5.882 5.468 -2.638 1.00 0.00 N ATOM 660 CA GLY A 44 5.164 4.213 -2.498 1.00 0.00 C ATOM 661 C GLY A 44 5.890 3.270 -1.534 1.00 0.00 C ATOM 662 O GLY A 44 6.838 3.674 -0.862 1.00 0.00 O ATOM 0 H GLY A 44 6.884 5.409 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.155 4.406 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.065 3.736 -3.473 1.00 0.00 H new ATOM 666 N PHE A 45 5.418 2.034 -1.498 1.00 0.00 N ATOM 667 CA PHE A 45 6.011 1.031 -0.629 1.00 0.00 C ATOM 668 C PHE A 45 5.720 -0.380 -1.142 1.00 0.00 C ATOM 669 O PHE A 45 4.784 -0.584 -1.914 1.00 0.00 O ATOM 670 CB PHE A 45 5.371 1.202 0.751 1.00 0.00 C ATOM 671 CG PHE A 45 3.942 0.666 0.844 1.00 0.00 C ATOM 672 CD1 PHE A 45 3.725 -0.651 1.107 1.00 0.00 C ATOM 673 CD2 PHE A 45 2.887 1.505 0.664 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.398 -1.149 1.195 1.00 0.00 C ATOM 675 CE2 PHE A 45 1.560 1.009 0.751 1.00 0.00 C ATOM 676 CZ PHE A 45 1.343 -0.308 1.014 1.00 0.00 C ATOM 0 H PHE A 45 4.631 1.703 -2.057 1.00 0.00 H new ATOM 0 HA PHE A 45 7.093 1.160 -0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.988 0.693 1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.369 2.261 1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.562 -1.318 1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.059 2.550 0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.226 -2.194 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.723 1.677 0.609 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.334 -0.686 1.079 1.00 0.00 H new ATOM 686 N ALA A 46 6.539 -1.319 -0.692 1.00 0.00 N ATOM 687 CA ALA A 46 6.381 -2.707 -1.096 1.00 0.00 C ATOM 688 C ALA A 46 6.426 -3.602 0.144 1.00 0.00 C ATOM 689 O ALA A 46 7.352 -3.508 0.949 1.00 0.00 O ATOM 690 CB ALA A 46 7.463 -3.068 -2.115 1.00 0.00 C ATOM 0 H ALA A 46 7.314 -1.147 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 46 5.415 -2.859 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.345 -4.108 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.370 -2.423 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.446 -2.930 -1.666 1.00 0.00 H new ATOM 696 N GLY A 47 5.416 -4.451 0.260 1.00 0.00 N ATOM 697 CA GLY A 47 5.328 -5.362 1.388 1.00 0.00 C ATOM 698 C GLY A 47 4.334 -6.491 1.104 1.00 0.00 C ATOM 699 O GLY A 47 4.021 -6.772 -0.051 1.00 0.00 O ATOM 0 H GLY A 47 4.650 -4.527 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.311 -5.783 1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.018 -4.815 2.279 1.00 0.00 H new ATOM 703 N GLU A 48 3.867 -7.108 2.179 1.00 0.00 N ATOM 704 CA GLU A 48 2.916 -8.200 2.061 1.00 0.00 C ATOM 705 C GLU A 48 1.496 -7.699 2.333 1.00 0.00 C ATOM 706 O GLU A 48 1.157 -7.368 3.468 1.00 0.00 O ATOM 707 CB GLU A 48 3.281 -9.350 3.002 1.00 0.00 C ATOM 708 CG GLU A 48 4.029 -10.455 2.254 1.00 0.00 C ATOM 709 CD GLU A 48 5.537 -10.199 2.265 1.00 0.00 C ATOM 710 OE1 GLU A 48 5.979 -9.370 1.439 1.00 0.00 O ATOM 711 OE2 GLU A 48 6.215 -10.838 3.099 1.00 0.00 O ATOM 0 H GLU A 48 4.129 -6.873 3.136 1.00 0.00 H new ATOM 0 HA GLU A 48 2.957 -8.582 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.900 -8.975 3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.376 -9.759 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.817 -11.420 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.673 -10.508 1.225 1.00 0.00 H new ATOM 718 N LEU A 49 0.703 -7.658 1.272 1.00 0.00 N ATOM 719 CA LEU A 49 -0.672 -7.203 1.382 1.00 0.00 C ATOM 720 C LEU A 49 -1.616 -8.384 1.148 1.00 0.00 C ATOM 721 O LEU A 49 -1.178 -9.533 1.096 1.00 0.00 O ATOM 722 CB LEU A 49 -0.922 -6.022 0.442 1.00 0.00 C ATOM 723 CG LEU A 49 -0.711 -4.630 1.043 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.646 -4.536 1.743 1.00 0.00 C ATOM 725 CD2 LEU A 49 -0.886 -3.542 -0.018 1.00 0.00 C ATOM 0 H LEU A 49 0.987 -7.933 0.332 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.870 -6.830 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.266 -6.126 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.946 -6.086 0.075 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.477 -4.465 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.771 -3.537 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.694 -5.274 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.441 -4.730 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.731 -2.563 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.159 -3.692 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.893 -3.595 -0.431 1.00 0.00 H new ATOM 737 N THR A 50 -2.894 -8.062 1.015 1.00 0.00 N ATOM 738 CA THR A 50 -3.903 -9.082 0.789 1.00 0.00 C ATOM 739 C THR A 50 -5.045 -8.524 -0.064 1.00 0.00 C ATOM 740 O THR A 50 -4.982 -7.383 -0.521 1.00 0.00 O ATOM 741 CB THR A 50 -4.363 -9.604 2.152 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.553 -8.895 3.086 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.989 -11.071 2.374 1.00 0.00 C ATOM 0 H THR A 50 -3.254 -7.109 1.059 1.00 0.00 H new ATOM 0 HA THR A 50 -3.496 -9.921 0.224 1.00 0.00 H new ATOM 0 HB THR A 50 -5.443 -9.487 2.240 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.786 -9.171 3.997 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.338 -11.391 3.356 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.456 -11.686 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.906 -11.183 2.320 1.00 0.00 H new ATOM 751 N PRO A 51 -6.088 -9.375 -0.257 1.00 0.00 N ATOM 752 CA PRO A 51 -7.241 -8.978 -1.046 1.00 0.00 C ATOM 753 C PRO A 51 -8.132 -8.008 -0.267 1.00 0.00 C ATOM 754 O PRO A 51 -8.683 -7.069 -0.839 1.00 0.00 O ATOM 755 CB PRO A 51 -7.945 -10.279 -1.397 1.00 0.00 C ATOM 756 CG PRO A 51 -7.426 -11.312 -0.410 1.00 0.00 C ATOM 757 CD PRO A 51 -6.197 -10.733 0.269 1.00 0.00 C ATOM 0 HA PRO A 51 -6.965 -8.434 -1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.027 -10.172 -1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.729 -10.576 -2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.191 -11.553 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.176 -12.240 -0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.308 -10.730 1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.306 -11.318 0.042 1.00 0.00 H new ATOM 765 N GLN A 52 -8.246 -8.270 1.027 1.00 0.00 N ATOM 766 CA GLN A 52 -9.060 -7.432 1.891 1.00 0.00 C ATOM 767 C GLN A 52 -8.462 -6.027 1.985 1.00 0.00 C ATOM 768 O GLN A 52 -9.141 -5.039 1.707 1.00 0.00 O ATOM 769 CB GLN A 52 -9.210 -8.057 3.279 1.00 0.00 C ATOM 770 CG GLN A 52 -10.022 -7.149 4.204 1.00 0.00 C ATOM 771 CD GLN A 52 -9.687 -7.423 5.672 1.00 0.00 C ATOM 772 OE1 GLN A 52 -10.547 -7.710 6.489 1.00 0.00 O ATOM 773 NE2 GLN A 52 -8.393 -7.318 5.961 1.00 0.00 N ATOM 0 H GLN A 52 -7.788 -9.051 1.498 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.056 -7.354 1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.700 -9.027 3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.225 -8.234 3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.815 -6.105 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.087 -7.309 4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.725 -7.074 5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.068 -7.481 6.914 1.00 0.00 H new ATOM 782 N SER A 53 -7.197 -5.981 2.377 1.00 0.00 N ATOM 783 CA SER A 53 -6.500 -4.714 2.511 1.00 0.00 C ATOM 784 C SER A 53 -6.542 -3.951 1.186 1.00 0.00 C ATOM 785 O SER A 53 -6.609 -2.723 1.174 1.00 0.00 O ATOM 786 CB SER A 53 -5.052 -4.926 2.956 1.00 0.00 C ATOM 787 OG SER A 53 -4.932 -4.990 4.374 1.00 0.00 O ATOM 0 H SER A 53 -6.637 -6.802 2.606 1.00 0.00 H new ATOM 0 HA SER A 53 -7.004 -4.126 3.278 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.670 -5.848 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.434 -4.113 2.576 1.00 0.00 H new ATOM 0 HG SER A 53 -4.511 -4.169 4.704 1.00 0.00 H new ATOM 793 N LEU A 54 -6.501 -4.711 0.100 1.00 0.00 N ATOM 794 CA LEU A 54 -6.533 -4.121 -1.228 1.00 0.00 C ATOM 795 C LEU A 54 -7.745 -3.195 -1.340 1.00 0.00 C ATOM 796 O LEU A 54 -7.610 -1.975 -1.250 1.00 0.00 O ATOM 797 CB LEU A 54 -6.491 -5.212 -2.299 1.00 0.00 C ATOM 798 CG LEU A 54 -5.255 -5.220 -3.201 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.389 -6.270 -4.306 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.981 -3.825 -3.766 1.00 0.00 C ATOM 0 H LEU A 54 -6.446 -5.729 0.113 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.647 -3.508 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.562 -6.181 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.375 -5.110 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.392 -5.498 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.497 -6.255 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.501 -7.257 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.265 -6.047 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.098 -3.858 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.839 -3.495 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.811 -3.127 -2.946 1.00 0.00 H new ATOM 812 N THR A 55 -8.903 -3.808 -1.535 1.00 0.00 N ATOM 813 CA THR A 55 -10.139 -3.054 -1.661 1.00 0.00 C ATOM 814 C THR A 55 -10.132 -1.859 -0.706 1.00 0.00 C ATOM 815 O THR A 55 -10.743 -0.829 -0.991 1.00 0.00 O ATOM 816 CB THR A 55 -11.306 -4.014 -1.425 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.140 -5.014 -2.428 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.660 -3.381 -1.751 1.00 0.00 C ATOM 0 H THR A 55 -9.012 -4.819 -1.609 1.00 0.00 H new ATOM 0 HA THR A 55 -10.245 -2.632 -2.660 1.00 0.00 H new ATOM 0 HB THR A 55 -11.301 -4.344 -0.386 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.854 -5.680 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.454 -4.105 -1.566 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.813 -2.505 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.679 -3.082 -2.799 1.00 0.00 H new ATOM 826 N LYS A 56 -9.437 -2.036 0.408 1.00 0.00 N ATOM 827 CA LYS A 56 -9.344 -0.985 1.406 1.00 0.00 C ATOM 828 C LYS A 56 -8.877 0.310 0.737 1.00 0.00 C ATOM 829 O LYS A 56 -9.637 1.273 0.643 1.00 0.00 O ATOM 830 CB LYS A 56 -8.458 -1.429 2.571 1.00 0.00 C ATOM 831 CG LYS A 56 -8.975 -0.870 3.899 1.00 0.00 C ATOM 832 CD LYS A 56 -8.957 0.660 3.894 1.00 0.00 C ATOM 833 CE LYS A 56 -7.546 1.192 3.638 1.00 0.00 C ATOM 834 NZ LYS A 56 -7.453 2.619 4.019 1.00 0.00 N ATOM 0 H LYS A 56 -8.933 -2.892 0.641 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.324 -0.784 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.430 -2.518 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.435 -1.091 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.990 -1.225 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.360 -1.242 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.635 1.032 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.323 1.034 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.822 0.609 4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.292 1.073 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.489 2.964 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.130 3.173 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.675 2.724 5.030 1.00 0.00 H new ATOM 848 N PHE A 57 -7.632 0.291 0.289 1.00 0.00 N ATOM 849 CA PHE A 57 -7.054 1.450 -0.369 1.00 0.00 C ATOM 850 C PHE A 57 -7.246 1.372 -1.885 1.00 0.00 C ATOM 851 O PHE A 57 -6.871 2.293 -2.609 1.00 0.00 O ATOM 852 CB PHE A 57 -5.557 1.444 -0.055 1.00 0.00 C ATOM 853 CG PHE A 57 -4.894 0.074 -0.210 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.600 -0.403 -1.449 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.600 -0.668 0.891 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.985 -1.675 -1.594 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.984 -1.939 0.747 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.691 -2.416 -0.492 1.00 0.00 C ATOM 0 H PHE A 57 -7.006 -0.510 0.369 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.539 2.359 -0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.056 2.155 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.409 1.794 0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.834 0.186 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.835 -0.290 1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.751 -2.053 -2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.748 -2.527 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.225 -3.384 -0.601 1.00 0.00 H new ATOM 868 N GLN A 58 -7.829 0.264 -2.319 1.00 0.00 N ATOM 869 CA GLN A 58 -8.074 0.055 -3.736 1.00 0.00 C ATOM 870 C GLN A 58 -9.210 0.959 -4.218 1.00 0.00 C ATOM 871 O GLN A 58 -8.965 1.978 -4.862 1.00 0.00 O ATOM 872 CB GLN A 58 -8.384 -1.415 -4.027 1.00 0.00 C ATOM 873 CG GLN A 58 -7.223 -2.085 -4.763 1.00 0.00 C ATOM 874 CD GLN A 58 -7.439 -2.046 -6.278 1.00 0.00 C ATOM 875 OE1 GLN A 58 -6.874 -1.232 -6.990 1.00 0.00 O ATOM 876 NE2 GLN A 58 -8.284 -2.969 -6.727 1.00 0.00 N ATOM 0 H GLN A 58 -8.138 -0.498 -1.715 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.169 0.318 -4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.579 -1.941 -3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.290 -1.487 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.289 -1.581 -4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.126 -3.119 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.722 -3.620 -6.075 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.494 -3.026 -7.723 1.00 0.00 H new ATOM 885 N GLY A 59 -10.427 0.555 -3.886 1.00 0.00 N ATOM 886 CA GLY A 59 -11.601 1.317 -4.277 1.00 0.00 C ATOM 887 C GLY A 59 -11.462 2.785 -3.870 1.00 0.00 C ATOM 888 O GLY A 59 -12.152 3.651 -4.408 1.00 0.00 O ATOM 0 H GLY A 59 -10.626 -0.290 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.742 1.247 -5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.489 0.889 -3.811 1.00 0.00 H new ATOM 892 N LEU A 60 -10.565 3.022 -2.923 1.00 0.00 N ATOM 893 CA LEU A 60 -10.328 4.370 -2.437 1.00 0.00 C ATOM 894 C LEU A 60 -9.286 5.052 -3.328 1.00 0.00 C ATOM 895 O LEU A 60 -8.765 6.110 -2.980 1.00 0.00 O ATOM 896 CB LEU A 60 -9.950 4.348 -0.956 1.00 0.00 C ATOM 897 CG LEU A 60 -9.962 5.700 -0.239 1.00 0.00 C ATOM 898 CD1 LEU A 60 -11.380 6.076 0.197 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.980 5.707 0.934 1.00 0.00 C ATOM 0 H LEU A 60 -9.994 2.302 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.240 4.963 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.635 3.678 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.952 3.919 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.628 6.463 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.361 7.041 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.025 6.139 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.765 5.316 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.008 6.679 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.259 4.931 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.972 5.516 0.566 1.00 0.00 H new ATOM 911 N GLN A 61 -9.013 4.416 -4.458 1.00 0.00 N ATOM 912 CA GLN A 61 -8.042 4.948 -5.400 1.00 0.00 C ATOM 913 C GLN A 61 -8.411 6.381 -5.788 1.00 0.00 C ATOM 914 O GLN A 61 -9.498 6.856 -5.466 1.00 0.00 O ATOM 915 CB GLN A 61 -7.933 4.054 -6.637 1.00 0.00 C ATOM 916 CG GLN A 61 -6.545 3.421 -6.735 1.00 0.00 C ATOM 917 CD GLN A 61 -6.644 1.926 -7.048 1.00 0.00 C ATOM 918 OE1 GLN A 61 -7.191 1.143 -6.291 1.00 0.00 O ATOM 919 NE2 GLN A 61 -6.086 1.578 -8.204 1.00 0.00 N ATOM 0 H GLN A 61 -9.447 3.538 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.065 4.964 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.691 3.272 -6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.133 4.641 -7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.967 3.921 -7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.009 3.565 -5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.644 2.286 -8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.100 0.603 -8.504 1.00 0.00 H new ATOM 928 N GLY A 62 -7.483 7.029 -6.477 1.00 0.00 N ATOM 929 CA GLY A 62 -7.696 8.399 -6.914 1.00 0.00 C ATOM 930 C GLY A 62 -7.919 9.327 -5.718 1.00 0.00 C ATOM 931 O GLY A 62 -8.356 10.465 -5.884 1.00 0.00 O ATOM 0 H GLY A 62 -6.582 6.631 -6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.834 8.740 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.559 8.443 -7.579 1.00 0.00 H new ATOM 935 N ASP A 63 -7.608 8.808 -4.540 1.00 0.00 N ATOM 936 CA ASP A 63 -7.768 9.576 -3.317 1.00 0.00 C ATOM 937 C ASP A 63 -6.434 9.622 -2.569 1.00 0.00 C ATOM 938 O ASP A 63 -5.948 10.698 -2.225 1.00 0.00 O ATOM 939 CB ASP A 63 -8.805 8.931 -2.394 1.00 0.00 C ATOM 940 CG ASP A 63 -9.341 9.842 -1.288 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.777 10.948 -1.141 1.00 0.00 O ATOM 942 OD2 ASP A 63 -10.301 9.412 -0.613 1.00 0.00 O ATOM 0 H ASP A 63 -7.246 7.864 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.100 10.578 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.644 8.587 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.361 8.048 -1.934 1.00 0.00 H new ATOM 947 N LEU A 64 -5.880 8.440 -2.339 1.00 0.00 N ATOM 948 CA LEU A 64 -4.611 8.332 -1.640 1.00 0.00 C ATOM 949 C LEU A 64 -3.744 7.274 -2.323 1.00 0.00 C ATOM 950 O LEU A 64 -2.718 6.864 -1.784 1.00 0.00 O ATOM 951 CB LEU A 64 -4.842 8.070 -0.149 1.00 0.00 C ATOM 952 CG LEU A 64 -5.291 6.655 0.220 1.00 0.00 C ATOM 953 CD1 LEU A 64 -6.201 6.068 -0.861 1.00 0.00 C ATOM 954 CD2 LEU A 64 -4.087 5.755 0.507 1.00 0.00 C ATOM 0 H LEU A 64 -6.287 7.549 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.065 9.274 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.917 8.288 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.592 8.774 0.212 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.877 6.711 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.505 5.062 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.085 6.696 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.662 6.027 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.434 4.755 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.454 5.701 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.514 6.167 1.338 1.00 0.00 H new ATOM 966 N ILE A 65 -4.190 6.860 -3.501 1.00 0.00 N ATOM 967 CA ILE A 65 -3.468 5.856 -4.264 1.00 0.00 C ATOM 968 C ILE A 65 -3.311 6.335 -5.708 1.00 0.00 C ATOM 969 O ILE A 65 -4.298 6.482 -6.428 1.00 0.00 O ATOM 970 CB ILE A 65 -4.152 4.494 -4.139 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.999 3.930 -2.725 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.637 3.522 -5.203 1.00 0.00 C ATOM 973 CD1 ILE A 65 -3.520 2.477 -2.763 1.00 0.00 C ATOM 0 H ILE A 65 -5.042 7.202 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.464 5.721 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.219 4.631 -4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.289 4.536 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.953 3.989 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.140 2.561 -5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.842 3.926 -6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.562 3.386 -5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.419 2.100 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.244 1.869 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.554 2.425 -3.266 1.00 0.00 H new ATOM 985 N ASP A 66 -2.063 6.566 -6.089 1.00 0.00 N ATOM 986 CA ASP A 66 -1.764 7.025 -7.434 1.00 0.00 C ATOM 987 C ASP A 66 -1.748 5.827 -8.387 1.00 0.00 C ATOM 988 O ASP A 66 -2.242 5.915 -9.510 1.00 0.00 O ATOM 989 CB ASP A 66 -0.390 7.696 -7.495 1.00 0.00 C ATOM 990 CG ASP A 66 -0.365 9.056 -8.196 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.413 9.735 -8.155 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.702 9.386 -8.757 1.00 0.00 O ATOM 0 H ASP A 66 -1.247 6.444 -5.489 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.530 7.745 -7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.018 7.821 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.302 7.027 -8.007 1.00 0.00 H new ATOM 997 N SER A 67 -1.175 4.735 -7.902 1.00 0.00 N ATOM 998 CA SER A 67 -1.087 3.521 -8.695 1.00 0.00 C ATOM 999 C SER A 67 -0.997 2.301 -7.777 1.00 0.00 C ATOM 1000 O SER A 67 -0.435 2.381 -6.685 1.00 0.00 O ATOM 1001 CB SER A 67 0.117 3.565 -9.638 1.00 0.00 C ATOM 1002 OG SER A 67 0.067 4.684 -10.518 1.00 0.00 O ATOM 0 H SER A 67 -0.767 4.666 -6.970 1.00 0.00 H new ATOM 0 HA SER A 67 -1.988 3.444 -9.303 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.035 3.606 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.153 2.646 -10.223 1.00 0.00 H new ATOM 0 HG SER A 67 0.854 4.676 -11.102 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.560 1.200 -8.252 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.552 -0.035 -7.487 1.00 0.00 C ATOM 1010 C ILE A 68 -0.932 -1.149 -8.332 1.00 0.00 C ATOM 1011 O ILE A 68 -1.219 -1.263 -9.523 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.958 -0.359 -6.977 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.902 -1.014 -5.595 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.722 -1.217 -7.987 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.272 -0.013 -4.499 1.00 0.00 C ATOM 0 H ILE A 68 -2.025 1.137 -9.158 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.932 0.072 -6.597 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.507 0.576 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.585 -1.863 -5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.900 -1.404 -5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.718 -1.433 -7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.808 -0.678 -8.931 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.185 -2.152 -8.150 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.224 -0.504 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.572 0.823 -4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.283 0.356 -4.670 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.093 -1.943 -7.683 1.00 0.00 N ATOM 1028 CA GLU A 69 0.571 -3.045 -8.361 1.00 0.00 C ATOM 1029 C GLU A 69 0.466 -4.322 -7.525 1.00 0.00 C ATOM 1030 O GLU A 69 1.476 -4.847 -7.058 1.00 0.00 O ATOM 1031 CB GLU A 69 2.031 -2.704 -8.661 1.00 0.00 C ATOM 1032 CG GLU A 69 2.596 -3.622 -9.747 1.00 0.00 C ATOM 1033 CD GLU A 69 3.888 -3.047 -10.334 1.00 0.00 C ATOM 1034 OE1 GLU A 69 3.874 -1.841 -10.663 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.859 -3.826 -10.439 1.00 0.00 O ATOM 0 H GLU A 69 0.143 -1.846 -6.695 1.00 0.00 H new ATOM 0 HA GLU A 69 0.070 -3.215 -9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.107 -1.665 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.625 -2.801 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.790 -4.609 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.858 -3.751 -10.539 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.764 -4.785 -7.362 1.00 0.00 N ATOM 1043 CA GLU A 70 -1.014 -5.992 -6.591 1.00 0.00 C ATOM 1044 C GLU A 70 -0.430 -7.211 -7.308 1.00 0.00 C ATOM 1045 O GLU A 70 -0.593 -7.361 -8.518 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.510 -6.175 -6.328 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.294 -6.227 -7.641 1.00 0.00 C ATOM 1048 CD GLU A 70 -3.775 -7.649 -7.937 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -4.752 -8.066 -7.279 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -3.153 -8.285 -8.815 1.00 0.00 O ATOM 0 H GLU A 70 -1.599 -4.347 -7.750 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.519 -5.891 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.674 -7.094 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.878 -5.354 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.150 -5.554 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.665 -5.875 -8.458 1.00 0.00 H new ATOM 1057 N ASP A 71 0.239 -8.050 -6.531 1.00 0.00 N ATOM 1058 CA ASP A 71 0.849 -9.251 -7.076 1.00 0.00 C ATOM 1059 C ASP A 71 0.474 -10.450 -6.203 1.00 0.00 C ATOM 1060 O ASP A 71 1.107 -11.502 -6.282 1.00 0.00 O ATOM 1061 CB ASP A 71 2.374 -9.136 -7.093 1.00 0.00 C ATOM 1062 CG ASP A 71 3.073 -9.958 -8.177 1.00 0.00 C ATOM 1063 OD1 ASP A 71 2.423 -10.191 -9.219 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.241 -10.334 -7.939 1.00 0.00 O ATOM 0 H ASP A 71 0.372 -7.922 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 71 0.487 -9.380 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.643 -8.088 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.757 -9.445 -6.120 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.553 -10.251 -5.389 1.00 0.00 N ATOM 1070 CA GLY A 72 -1.019 -11.302 -4.501 1.00 0.00 C ATOM 1071 C GLY A 72 -1.739 -12.401 -5.285 1.00 0.00 C ATOM 1072 O GLY A 72 -2.314 -12.141 -6.340 1.00 0.00 O ATOM 0 H GLY A 72 -1.075 -9.377 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.174 -11.729 -3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.693 -10.881 -3.755 1.00 0.00 H new ATOM 1076 N ILE A 73 -1.686 -13.606 -4.736 1.00 0.00 N ATOM 1077 CA ILE A 73 -2.326 -14.746 -5.370 1.00 0.00 C ATOM 1078 C ILE A 73 -3.330 -15.368 -4.398 1.00 0.00 C ATOM 1079 O ILE A 73 -3.037 -15.524 -3.214 1.00 0.00 O ATOM 1080 CB ILE A 73 -1.277 -15.733 -5.885 1.00 0.00 C ATOM 1081 CG1 ILE A 73 -0.470 -15.127 -7.035 1.00 0.00 C ATOM 1082 CG2 ILE A 73 -1.921 -17.064 -6.277 1.00 0.00 C ATOM 1083 CD1 ILE A 73 -1.390 -14.674 -8.171 1.00 0.00 C ATOM 0 H ILE A 73 -1.210 -13.817 -3.859 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.887 -14.427 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.578 -15.940 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.109 -14.278 -6.670 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.243 -15.861 -7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.153 -17.747 -6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.413 -17.500 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.656 -16.895 -7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.791 -14.247 -8.976 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.949 -15.530 -8.549 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.086 -13.922 -7.798 1.00 0.00 H new ATOM 1095 N VAL A 74 -4.494 -15.705 -4.934 1.00 0.00 N ATOM 1096 CA VAL A 74 -5.543 -16.306 -4.127 1.00 0.00 C ATOM 1097 C VAL A 74 -5.808 -17.729 -4.623 1.00 0.00 C ATOM 1098 O VAL A 74 -5.260 -18.690 -4.084 1.00 0.00 O ATOM 1099 CB VAL A 74 -6.792 -15.422 -4.152 1.00 0.00 C ATOM 1100 CG1 VAL A 74 -7.957 -16.101 -3.430 1.00 0.00 C ATOM 1101 CG2 VAL A 74 -6.501 -14.046 -3.549 1.00 0.00 C ATOM 0 H VAL A 74 -4.734 -15.573 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.232 -16.377 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.081 -15.278 -5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.832 -15.452 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.188 -17.046 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.682 -16.289 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.405 -13.437 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.176 -14.163 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.714 -13.556 -4.123 1.00 0.00 H new ATOM 1111 N THR A 75 -6.650 -17.820 -5.643 1.00 0.00 N ATOM 1112 CA THR A 75 -6.994 -19.110 -6.217 1.00 0.00 C ATOM 1113 C THR A 75 -7.798 -19.941 -5.215 1.00 0.00 C ATOM 1114 O THR A 75 -7.629 -19.796 -4.005 1.00 0.00 O ATOM 1115 CB THR A 75 -5.699 -19.787 -6.667 1.00 0.00 C ATOM 1116 OG1 THR A 75 -6.021 -20.340 -7.941 1.00 0.00 O ATOM 1117 CG2 THR A 75 -5.347 -21.006 -5.811 1.00 0.00 C ATOM 0 H THR A 75 -7.104 -17.021 -6.086 1.00 0.00 H new ATOM 0 HA THR A 75 -7.638 -18.997 -7.089 1.00 0.00 H new ATOM 0 HB THR A 75 -4.881 -19.067 -6.628 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.235 -20.797 -8.307 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.419 -21.449 -6.173 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.221 -20.698 -4.773 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.150 -21.741 -5.876 1.00 0.00 H new ATOM 1125 N THR A 76 -8.655 -20.794 -5.756 1.00 0.00 N ATOM 1126 CA THR A 76 -9.487 -21.648 -4.925 1.00 0.00 C ATOM 1127 C THR A 76 -8.679 -22.196 -3.747 1.00 0.00 C ATOM 1128 O THR A 76 -7.725 -22.948 -3.941 1.00 0.00 O ATOM 1129 CB THR A 76 -10.079 -22.742 -5.816 1.00 0.00 C ATOM 1130 OG1 THR A 76 -11.023 -22.051 -6.631 1.00 0.00 O ATOM 1131 CG2 THR A 76 -10.928 -23.742 -5.029 1.00 0.00 C ATOM 0 H THR A 76 -8.791 -20.912 -6.760 1.00 0.00 H new ATOM 0 HA THR A 76 -10.310 -21.088 -4.482 1.00 0.00 H new ATOM 0 HB THR A 76 -9.274 -23.271 -6.325 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.454 -22.685 -7.242 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.324 -24.497 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.312 -24.224 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 76 -11.754 -23.218 -4.547 1.00 0.00 H new ATOM 1139 N GLN A 77 -9.089 -21.797 -2.553 1.00 0.00 N ATOM 1140 CA GLN A 77 -8.415 -22.238 -1.344 1.00 0.00 C ATOM 1141 C GLN A 77 -9.436 -22.517 -0.239 1.00 0.00 C ATOM 1142 O GLN A 77 -9.190 -22.218 0.929 1.00 0.00 O ATOM 1143 CB GLN A 77 -7.380 -21.209 -0.886 1.00 0.00 C ATOM 1144 CG GLN A 77 -5.980 -21.822 -0.841 1.00 0.00 C ATOM 1145 CD GLN A 77 -5.927 -22.995 0.140 1.00 0.00 C ATOM 1146 OE1 GLN A 77 -6.867 -23.273 0.867 1.00 0.00 O ATOM 1147 NE2 GLN A 77 -4.778 -23.665 0.121 1.00 0.00 N ATOM 0 H GLN A 77 -9.880 -21.173 -2.396 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.885 -23.164 -1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.386 -20.356 -1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.648 -20.833 0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.696 -22.163 -1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.256 -21.063 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.031 -23.379 -0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.644 -24.465 0.740 1.00 0.00 H new TER 1156 GLN A 77