USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 15 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-3.4!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0456) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 96:sc= 1.18 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 25 THR OG1 : rot 79:sc= 0.283 USER MOD Single : A 27 SER OG : rot 68:sc= 0.857 USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= -0.336 (180deg=-0.484) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 34 ASN : amide:sc= -0.582 X(o=-0.58,f=-0.97) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0798 USER MOD Single : A 38 ASN : amide:sc= -0.505 X(o=-0.5,f=-0.38) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -105:sc= 1.04 USER MOD Single : A 43 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -85:sc= 0.759 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0256 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.82 K(o=-5.8,f=-19!) USER MOD Single : A 80 THR OG1 : rot 83:sc= 1.12 USER MOD Single : A 81 MET CE :methyl -147:sc= -2.72 (180deg=-5.84!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -46:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 8.827 -0.008 8.143 1.00 0.00 N ATOM 12 CA GLN A 3 7.395 0.244 7.750 1.00 0.00 C ATOM 13 C GLN A 3 7.097 1.754 7.670 1.00 0.00 C ATOM 14 O GLN A 3 8.001 2.569 7.631 1.00 0.00 O ATOM 15 CB GLN A 3 6.447 -0.442 8.753 1.00 0.00 C ATOM 16 CG GLN A 3 6.554 0.203 10.138 1.00 0.00 C ATOM 17 CD GLN A 3 5.412 -0.299 11.024 1.00 0.00 C ATOM 18 OE1 GLN A 3 5.458 -1.403 11.529 1.00 0.00 O ATOM 19 NE2 GLN A 3 4.380 0.472 11.234 1.00 0.00 N ATOM 0 HA GLN A 3 7.231 -0.179 6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.420 -0.373 8.394 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.690 -1.502 8.822 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.515 -0.041 10.591 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.510 1.289 10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.341 1.399 10.810 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.612 0.148 11.822 1.00 0.00 H new ATOM 28 N LYS A 4 5.842 2.125 7.640 1.00 0.00 N ATOM 29 CA LYS A 4 5.483 3.572 7.562 1.00 0.00 C ATOM 30 C LYS A 4 3.961 3.718 7.577 1.00 0.00 C ATOM 31 O LYS A 4 3.236 2.741 7.621 1.00 0.00 O ATOM 32 CB LYS A 4 6.047 4.172 6.267 1.00 0.00 C ATOM 33 CG LYS A 4 6.616 5.566 6.549 1.00 0.00 C ATOM 34 CD LYS A 4 6.393 6.468 5.333 1.00 0.00 C ATOM 35 CE LYS A 4 6.489 7.935 5.758 1.00 0.00 C ATOM 36 NZ LYS A 4 7.882 8.234 6.198 1.00 0.00 N ATOM 0 H LYS A 4 5.048 1.485 7.666 1.00 0.00 H new ATOM 0 HA LYS A 4 5.906 4.100 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.826 3.525 5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.263 4.234 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.133 5.996 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.681 5.497 6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.136 6.252 4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.415 6.269 4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.211 8.584 4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.789 8.137 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.988 9.259 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.078 7.737 7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.552 7.915 5.470 1.00 0.00 H new ATOM 50 N THR A 5 3.474 4.931 7.540 1.00 0.00 N ATOM 51 CA THR A 5 2.000 5.152 7.549 1.00 0.00 C ATOM 52 C THR A 5 1.656 6.302 6.601 1.00 0.00 C ATOM 53 O THR A 5 2.216 7.379 6.690 1.00 0.00 O ATOM 54 CB THR A 5 1.544 5.503 8.969 1.00 0.00 C ATOM 55 OG1 THR A 5 1.989 4.496 9.867 1.00 0.00 O ATOM 56 CG2 THR A 5 0.017 5.594 9.018 1.00 0.00 C ATOM 0 H THR A 5 4.037 5.781 7.504 1.00 0.00 H new ATOM 0 HA THR A 5 1.492 4.245 7.221 1.00 0.00 H new ATOM 0 HB THR A 5 1.968 6.465 9.257 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.700 4.718 10.777 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.300 5.844 10.030 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.324 6.367 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.414 4.636 8.729 1.00 0.00 H new ATOM 64 N PHE A 6 0.743 6.078 5.692 1.00 0.00 N ATOM 65 CA PHE A 6 0.359 7.152 4.730 1.00 0.00 C ATOM 66 C PHE A 6 -1.072 7.609 5.015 1.00 0.00 C ATOM 67 O PHE A 6 -1.884 6.858 5.522 1.00 0.00 O ATOM 68 CB PHE A 6 0.448 6.609 3.302 1.00 0.00 C ATOM 69 CG PHE A 6 1.894 6.361 2.948 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.520 5.176 3.353 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.610 7.315 2.216 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.861 4.945 3.026 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.952 7.084 1.890 1.00 0.00 C ATOM 74 CZ PHE A 6 4.578 5.898 2.294 1.00 0.00 C ATOM 0 H PHE A 6 0.246 5.195 5.575 1.00 0.00 H new ATOM 0 HA PHE A 6 1.036 7.999 4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.122 5.684 3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.008 7.320 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.968 4.440 3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.128 8.229 1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.343 4.030 3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.505 7.821 1.327 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.613 5.719 2.041 1.00 0.00 H new ATOM 84 N LYS A 7 -1.383 8.839 4.692 1.00 0.00 N ATOM 85 CA LYS A 7 -2.759 9.361 4.938 1.00 0.00 C ATOM 86 C LYS A 7 -3.487 9.527 3.604 1.00 0.00 C ATOM 87 O LYS A 7 -3.311 10.511 2.910 1.00 0.00 O ATOM 88 CB LYS A 7 -2.668 10.717 5.644 1.00 0.00 C ATOM 89 CG LYS A 7 -2.790 10.518 7.159 1.00 0.00 C ATOM 90 CD LYS A 7 -4.222 10.824 7.604 1.00 0.00 C ATOM 91 CE LYS A 7 -4.360 12.321 7.887 1.00 0.00 C ATOM 92 NZ LYS A 7 -5.313 12.528 9.013 1.00 0.00 N ATOM 0 H LYS A 7 -0.739 9.506 4.267 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.309 8.660 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.720 11.199 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.460 11.377 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.527 9.494 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.089 11.171 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.927 10.523 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.467 10.250 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.388 12.746 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.715 12.839 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.407 13.546 9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.242 12.137 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.956 12.046 9.863 1.00 0.00 H new ATOM 106 N VAL A 8 -4.304 8.570 3.243 1.00 0.00 N ATOM 107 CA VAL A 8 -5.050 8.662 1.954 1.00 0.00 C ATOM 108 C VAL A 8 -6.075 9.793 2.032 1.00 0.00 C ATOM 109 O VAL A 8 -6.959 9.784 2.868 1.00 0.00 O ATOM 110 CB VAL A 8 -5.776 7.342 1.685 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.390 7.377 0.284 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.782 6.182 1.776 1.00 0.00 C ATOM 0 H VAL A 8 -4.486 7.727 3.788 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.346 8.863 1.147 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.563 7.203 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.908 6.438 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.099 8.202 0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.601 7.516 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.301 5.243 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.994 6.319 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.343 6.157 2.773 1.00 0.00 H new ATOM 122 N THR A 9 -5.961 10.765 1.164 1.00 0.00 N ATOM 123 CA THR A 9 -6.926 11.904 1.174 1.00 0.00 C ATOM 124 C THR A 9 -7.636 11.996 -0.181 1.00 0.00 C ATOM 125 O THR A 9 -8.142 13.039 -0.552 1.00 0.00 O ATOM 126 CB THR A 9 -6.171 13.206 1.433 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.308 13.039 2.549 1.00 0.00 O ATOM 128 CG2 THR A 9 -7.168 14.329 1.719 1.00 0.00 C ATOM 0 H THR A 9 -5.238 10.819 0.446 1.00 0.00 H new ATOM 0 HA THR A 9 -7.664 11.741 1.960 1.00 0.00 H new ATOM 0 HB THR A 9 -5.581 13.464 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.822 13.874 2.715 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.627 15.257 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.827 14.458 0.861 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.761 14.074 2.597 1.00 0.00 H new ATOM 136 N ALA A 10 -7.675 10.917 -0.924 1.00 0.00 N ATOM 137 CA ALA A 10 -8.349 10.941 -2.254 1.00 0.00 C ATOM 138 C ALA A 10 -9.864 11.008 -2.057 1.00 0.00 C ATOM 139 O ALA A 10 -10.407 10.407 -1.150 1.00 0.00 O ATOM 140 CB ALA A 10 -7.994 9.672 -3.032 1.00 0.00 C ATOM 0 H ALA A 10 -7.267 10.019 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.014 11.815 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.487 9.691 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.914 9.622 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.327 8.797 -2.473 1.00 0.00 H new ATOM 146 N ASP A 11 -10.546 11.738 -2.902 1.00 0.00 N ATOM 147 CA ASP A 11 -12.030 11.854 -2.773 1.00 0.00 C ATOM 148 C ASP A 11 -12.703 10.510 -3.105 1.00 0.00 C ATOM 149 O ASP A 11 -13.879 10.328 -2.853 1.00 0.00 O ATOM 150 CB ASP A 11 -12.543 12.939 -3.731 1.00 0.00 C ATOM 151 CG ASP A 11 -12.217 12.574 -5.188 1.00 0.00 C ATOM 152 OD1 ASP A 11 -11.339 11.752 -5.399 1.00 0.00 O ATOM 153 OD2 ASP A 11 -12.855 13.127 -6.070 1.00 0.00 O ATOM 0 H ASP A 11 -10.138 12.260 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.276 12.125 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.620 13.056 -3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.088 13.897 -3.480 1.00 0.00 H new ATOM 158 N SER A 12 -11.976 9.573 -3.672 1.00 0.00 N ATOM 159 CA SER A 12 -12.590 8.256 -4.019 1.00 0.00 C ATOM 160 C SER A 12 -12.040 7.146 -3.111 1.00 0.00 C ATOM 161 O SER A 12 -12.225 5.974 -3.385 1.00 0.00 O ATOM 162 CB SER A 12 -12.269 7.922 -5.476 1.00 0.00 C ATOM 163 OG SER A 12 -10.886 8.149 -5.716 1.00 0.00 O ATOM 0 H SER A 12 -10.988 9.666 -3.907 1.00 0.00 H new ATOM 0 HA SER A 12 -13.669 8.322 -3.876 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.521 6.883 -5.687 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.872 8.538 -6.144 1.00 0.00 H new ATOM 0 HG SER A 12 -10.676 7.934 -6.649 1.00 0.00 H new ATOM 169 N GLY A 13 -11.370 7.494 -2.035 1.00 0.00 N ATOM 170 CA GLY A 13 -10.820 6.450 -1.122 1.00 0.00 C ATOM 171 C GLY A 13 -9.790 5.609 -1.874 1.00 0.00 C ATOM 172 O GLY A 13 -8.980 6.130 -2.620 1.00 0.00 O ATOM 0 H GLY A 13 -11.183 8.456 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.358 6.918 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.625 5.814 -0.752 1.00 0.00 H new ATOM 176 N ILE A 14 -9.813 4.316 -1.683 1.00 0.00 N ATOM 177 CA ILE A 14 -8.836 3.437 -2.386 1.00 0.00 C ATOM 178 C ILE A 14 -9.593 2.342 -3.142 1.00 0.00 C ATOM 179 O ILE A 14 -10.601 1.844 -2.680 1.00 0.00 O ATOM 180 CB ILE A 14 -7.892 2.811 -1.359 1.00 0.00 C ATOM 181 CG1 ILE A 14 -7.222 3.924 -0.545 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.818 1.993 -2.079 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.926 3.414 0.866 1.00 0.00 C ATOM 0 H ILE A 14 -10.468 3.831 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.253 4.023 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.459 2.158 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.299 4.239 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.872 4.798 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.146 1.548 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.292 1.204 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.249 2.644 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.450 4.204 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.858 3.120 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.260 2.553 0.809 1.00 0.00 H new ATOM 195 N HIS A 15 -9.119 1.977 -4.307 1.00 0.00 N ATOM 196 CA HIS A 15 -9.815 0.924 -5.108 1.00 0.00 C ATOM 197 C HIS A 15 -8.772 0.062 -5.843 1.00 0.00 C ATOM 198 O HIS A 15 -7.599 0.093 -5.518 1.00 0.00 O ATOM 199 CB HIS A 15 -10.805 1.573 -6.110 1.00 0.00 C ATOM 200 CG HIS A 15 -10.297 2.901 -6.622 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.097 3.141 -7.972 1.00 0.00 N ATOM 202 CD2 HIS A 15 -9.973 4.074 -5.983 1.00 0.00 C ATOM 203 CE1 HIS A 15 -9.672 4.412 -8.100 1.00 0.00 C ATOM 204 NE2 HIS A 15 -9.579 5.025 -6.919 1.00 0.00 N ATOM 0 H HIS A 15 -8.279 2.363 -4.738 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.389 0.283 -4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.967 0.898 -6.950 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.771 1.716 -5.625 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.018 4.233 -4.916 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.435 4.879 -9.045 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.283 5.985 -6.740 1.00 0.00 H new ATOM 212 N ALA A 16 -9.192 -0.734 -6.800 1.00 0.00 N ATOM 213 CA ALA A 16 -8.234 -1.622 -7.527 1.00 0.00 C ATOM 214 C ALA A 16 -7.289 -0.810 -8.428 1.00 0.00 C ATOM 215 O ALA A 16 -6.264 -1.310 -8.848 1.00 0.00 O ATOM 216 CB ALA A 16 -9.022 -2.610 -8.391 1.00 0.00 C ATOM 0 H ALA A 16 -10.162 -0.805 -7.108 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.632 -2.152 -6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.329 -3.261 -8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.670 -3.213 -7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.629 -2.060 -9.110 1.00 0.00 H new ATOM 222 N ARG A 17 -7.619 0.421 -8.739 1.00 0.00 N ATOM 223 CA ARG A 17 -6.722 1.235 -9.623 1.00 0.00 C ATOM 224 C ARG A 17 -5.356 1.442 -8.933 1.00 0.00 C ATOM 225 O ARG A 17 -4.344 1.029 -9.467 1.00 0.00 O ATOM 226 CB ARG A 17 -7.372 2.590 -9.922 1.00 0.00 C ATOM 227 CG ARG A 17 -7.979 2.584 -11.333 1.00 0.00 C ATOM 228 CD ARG A 17 -7.164 3.497 -12.254 1.00 0.00 C ATOM 229 NE ARG A 17 -7.237 4.899 -11.752 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.003 5.771 -12.353 1.00 0.00 C ATOM 231 NH1 ARG A 17 -9.191 5.423 -12.766 1.00 0.00 N ATOM 232 NH2 ARG A 17 -7.580 6.992 -12.537 1.00 0.00 N ATOM 0 H ARG A 17 -8.464 0.896 -8.422 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.568 0.704 -10.562 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.147 2.801 -9.185 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.630 3.384 -9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.990 1.569 -11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.014 2.922 -11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.126 3.165 -12.288 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.550 3.443 -13.272 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.688 5.178 -10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.523 4.470 -12.620 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.788 6.104 -13.235 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.652 7.265 -12.212 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.177 7.673 -13.006 1.00 0.00 H new ATOM 246 N PRO A 18 -5.345 2.059 -7.761 1.00 0.00 N ATOM 247 CA PRO A 18 -4.086 2.287 -7.025 1.00 0.00 C ATOM 248 C PRO A 18 -3.541 0.966 -6.471 1.00 0.00 C ATOM 249 O PRO A 18 -2.364 0.846 -6.189 1.00 0.00 O ATOM 250 CB PRO A 18 -4.481 3.250 -5.902 1.00 0.00 C ATOM 251 CG PRO A 18 -6.005 3.092 -5.713 1.00 0.00 C ATOM 252 CD PRO A 18 -6.550 2.569 -7.054 1.00 0.00 C ATOM 0 HA PRO A 18 -3.292 2.694 -7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.948 3.013 -4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.226 4.277 -6.163 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.227 2.396 -4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.466 4.044 -5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.288 1.781 -6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.040 3.361 -7.621 1.00 0.00 H new ATOM 260 N ALA A 19 -4.384 -0.028 -6.326 1.00 0.00 N ATOM 261 CA ALA A 19 -3.912 -1.344 -5.808 1.00 0.00 C ATOM 262 C ALA A 19 -3.168 -2.094 -6.920 1.00 0.00 C ATOM 263 O ALA A 19 -2.348 -2.952 -6.655 1.00 0.00 O ATOM 264 CB ALA A 19 -5.113 -2.174 -5.348 1.00 0.00 C ATOM 0 H ALA A 19 -5.379 0.019 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.240 -1.182 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.767 -3.136 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.642 -1.642 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.787 -2.336 -6.189 1.00 0.00 H new ATOM 270 N THR A 20 -3.446 -1.774 -8.162 1.00 0.00 N ATOM 271 CA THR A 20 -2.755 -2.460 -9.292 1.00 0.00 C ATOM 272 C THR A 20 -1.372 -1.838 -9.485 1.00 0.00 C ATOM 273 O THR A 20 -0.415 -2.516 -9.811 1.00 0.00 O ATOM 274 CB THR A 20 -3.576 -2.294 -10.574 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.901 -2.754 -10.348 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.938 -3.106 -11.702 1.00 0.00 C ATOM 0 H THR A 20 -4.124 -1.064 -8.439 1.00 0.00 H new ATOM 0 HA THR A 20 -2.652 -3.522 -9.068 1.00 0.00 H new ATOM 0 HB THR A 20 -3.599 -1.242 -10.857 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.478 -1.994 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.524 -2.986 -12.613 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.922 -2.752 -11.875 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.913 -4.159 -11.423 1.00 0.00 H new ATOM 284 N VAL A 21 -1.259 -0.551 -9.281 1.00 0.00 N ATOM 285 CA VAL A 21 0.063 0.121 -9.441 1.00 0.00 C ATOM 286 C VAL A 21 0.936 -0.184 -8.219 1.00 0.00 C ATOM 287 O VAL A 21 2.149 -0.239 -8.309 1.00 0.00 O ATOM 288 CB VAL A 21 -0.142 1.633 -9.561 1.00 0.00 C ATOM 289 CG1 VAL A 21 1.198 2.311 -9.854 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.120 1.924 -10.702 1.00 0.00 C ATOM 0 H VAL A 21 -2.027 0.064 -9.010 1.00 0.00 H new ATOM 0 HA VAL A 21 0.554 -0.248 -10.342 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.546 2.020 -8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.050 3.388 -9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.896 2.104 -9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.604 1.925 -10.789 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.267 3.000 -10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.714 1.536 -11.637 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.076 1.443 -10.494 1.00 0.00 H new ATOM 300 N LEU A 22 0.323 -0.380 -7.078 1.00 0.00 N ATOM 301 CA LEU A 22 1.103 -0.677 -5.841 1.00 0.00 C ATOM 302 C LEU A 22 1.572 -2.134 -5.856 1.00 0.00 C ATOM 303 O LEU A 22 2.660 -2.444 -5.409 1.00 0.00 O ATOM 304 CB LEU A 22 0.220 -0.441 -4.614 1.00 0.00 C ATOM 305 CG LEU A 22 -0.032 1.058 -4.448 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.176 1.278 -3.457 1.00 0.00 C ATOM 307 CD2 LEU A 22 1.237 1.731 -3.917 1.00 0.00 C ATOM 0 H LEU A 22 -0.689 -0.347 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 22 1.973 -0.021 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.727 -0.969 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.704 -0.840 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.299 1.490 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.355 2.347 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.080 0.798 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.910 0.846 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.059 2.800 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.502 1.298 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.054 1.575 -4.622 1.00 0.00 H new ATOM 319 N VAL A 23 0.759 -3.031 -6.359 1.00 0.00 N ATOM 320 CA VAL A 23 1.157 -4.472 -6.399 1.00 0.00 C ATOM 321 C VAL A 23 2.323 -4.650 -7.379 1.00 0.00 C ATOM 322 O VAL A 23 3.180 -5.494 -7.190 1.00 0.00 O ATOM 323 CB VAL A 23 -0.045 -5.324 -6.841 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.529 -4.871 -8.217 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.352 -6.805 -6.903 1.00 0.00 C ATOM 0 H VAL A 23 -0.163 -2.827 -6.744 1.00 0.00 H new ATOM 0 HA VAL A 23 1.474 -4.796 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.848 -5.197 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.380 -5.480 -8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.830 -3.824 -8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.277 -4.985 -8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.506 -7.399 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.164 -6.934 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.681 -7.135 -5.918 1.00 0.00 H new ATOM 335 N GLN A 24 2.356 -3.863 -8.424 1.00 0.00 N ATOM 336 CA GLN A 24 3.458 -3.982 -9.423 1.00 0.00 C ATOM 337 C GLN A 24 4.777 -3.526 -8.794 1.00 0.00 C ATOM 338 O GLN A 24 5.815 -4.126 -9.009 1.00 0.00 O ATOM 339 CB GLN A 24 3.142 -3.107 -10.638 1.00 0.00 C ATOM 340 CG GLN A 24 2.039 -3.767 -11.466 1.00 0.00 C ATOM 341 CD GLN A 24 1.837 -2.982 -12.764 1.00 0.00 C ATOM 342 OE1 GLN A 24 1.594 -1.792 -12.737 1.00 0.00 O ATOM 343 NE2 GLN A 24 1.925 -3.603 -13.908 1.00 0.00 N ATOM 0 H GLN A 24 1.665 -3.141 -8.628 1.00 0.00 H new ATOM 0 HA GLN A 24 3.549 -5.022 -9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.825 -2.116 -10.314 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.037 -2.972 -11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.307 -4.799 -11.691 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.110 -3.795 -10.897 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.129 -4.602 -13.932 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.790 -3.089 -14.779 1.00 0.00 H new ATOM 352 N THR A 25 4.744 -2.467 -8.025 1.00 0.00 N ATOM 353 CA THR A 25 5.995 -1.961 -7.383 1.00 0.00 C ATOM 354 C THR A 25 6.460 -2.945 -6.305 1.00 0.00 C ATOM 355 O THR A 25 7.643 -3.101 -6.068 1.00 0.00 O ATOM 356 CB THR A 25 5.720 -0.599 -6.744 1.00 0.00 C ATOM 357 OG1 THR A 25 5.123 0.262 -7.703 1.00 0.00 O ATOM 358 CG2 THR A 25 7.036 0.011 -6.256 1.00 0.00 C ATOM 0 H THR A 25 3.903 -1.930 -7.814 1.00 0.00 H new ATOM 0 HA THR A 25 6.774 -1.862 -8.139 1.00 0.00 H new ATOM 0 HB THR A 25 5.043 -0.724 -5.899 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.170 0.048 -7.787 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.840 0.982 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.492 -0.650 -5.519 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.714 0.136 -7.100 1.00 0.00 H new ATOM 366 N ALA A 26 5.538 -3.599 -5.649 1.00 0.00 N ATOM 367 CA ALA A 26 5.914 -4.570 -4.577 1.00 0.00 C ATOM 368 C ALA A 26 6.493 -5.845 -5.200 1.00 0.00 C ATOM 369 O ALA A 26 7.249 -6.560 -4.569 1.00 0.00 O ATOM 370 CB ALA A 26 4.672 -4.925 -3.758 1.00 0.00 C ATOM 0 H ALA A 26 4.535 -3.502 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 26 6.666 -4.116 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.943 -5.633 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.264 -4.021 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.922 -5.374 -4.410 1.00 0.00 H new ATOM 376 N SER A 27 6.137 -6.141 -6.425 1.00 0.00 N ATOM 377 CA SER A 27 6.658 -7.374 -7.086 1.00 0.00 C ATOM 378 C SER A 27 8.164 -7.240 -7.335 1.00 0.00 C ATOM 379 O SER A 27 8.879 -8.222 -7.391 1.00 0.00 O ATOM 380 CB SER A 27 5.940 -7.577 -8.421 1.00 0.00 C ATOM 381 OG SER A 27 4.558 -7.803 -8.179 1.00 0.00 O ATOM 0 H SER A 27 5.506 -5.579 -6.996 1.00 0.00 H new ATOM 0 HA SER A 27 6.478 -8.230 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.072 -6.700 -9.055 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.371 -8.424 -8.954 1.00 0.00 H new ATOM 0 HG SER A 27 4.149 -6.985 -7.827 1.00 0.00 H new ATOM 387 N LYS A 28 8.648 -6.033 -7.487 1.00 0.00 N ATOM 388 CA LYS A 28 10.107 -5.831 -7.737 1.00 0.00 C ATOM 389 C LYS A 28 10.924 -6.264 -6.512 1.00 0.00 C ATOM 390 O LYS A 28 12.120 -6.471 -6.606 1.00 0.00 O ATOM 391 CB LYS A 28 10.373 -4.352 -8.024 1.00 0.00 C ATOM 392 CG LYS A 28 9.691 -3.953 -9.336 1.00 0.00 C ATOM 393 CD LYS A 28 10.362 -2.699 -9.906 1.00 0.00 C ATOM 394 CE LYS A 28 11.354 -3.098 -11.001 1.00 0.00 C ATOM 395 NZ LYS A 28 12.443 -3.926 -10.410 1.00 0.00 N ATOM 0 H LYS A 28 8.094 -5.177 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 28 10.405 -6.436 -8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.996 -3.739 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.446 -4.171 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.756 -4.770 -10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.631 -3.764 -9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.609 -2.024 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.879 -2.159 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.842 -3.657 -11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.773 -2.207 -11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.201 -4.054 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.826 -3.447 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.063 -4.855 -10.136 1.00 0.00 H new ATOM 409 N TYR A 29 10.299 -6.395 -5.364 1.00 0.00 N ATOM 410 CA TYR A 29 11.054 -6.803 -4.142 1.00 0.00 C ATOM 411 C TYR A 29 10.552 -8.160 -3.647 1.00 0.00 C ATOM 412 O TYR A 29 9.393 -8.497 -3.796 1.00 0.00 O ATOM 413 CB TYR A 29 10.855 -5.753 -3.046 1.00 0.00 C ATOM 414 CG TYR A 29 11.243 -4.397 -3.584 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.301 -3.620 -4.266 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.549 -3.924 -3.411 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.663 -2.368 -4.775 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.911 -2.671 -3.918 1.00 0.00 C ATOM 419 CZ TYR A 29 11.968 -1.892 -4.600 1.00 0.00 C ATOM 420 OH TYR A 29 12.327 -0.660 -5.104 1.00 0.00 O ATOM 0 H TYR A 29 9.301 -6.237 -5.224 1.00 0.00 H new ATOM 0 HA TYR A 29 12.114 -6.882 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.815 -5.744 -2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.462 -5.999 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.294 -3.987 -4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 29 13.277 -4.526 -2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.936 -1.769 -5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.918 -2.305 -3.783 1.00 0.00 H new ATOM 0 HH TYR A 29 13.268 -0.482 -4.894 1.00 0.00 H new ATOM 430 N ASP A 30 11.424 -8.935 -3.055 1.00 0.00 N ATOM 431 CA ASP A 30 11.019 -10.275 -2.540 1.00 0.00 C ATOM 432 C ASP A 30 10.544 -10.166 -1.083 1.00 0.00 C ATOM 433 O ASP A 30 10.010 -11.113 -0.534 1.00 0.00 O ATOM 434 CB ASP A 30 12.216 -11.226 -2.609 1.00 0.00 C ATOM 435 CG ASP A 30 12.638 -11.411 -4.068 1.00 0.00 C ATOM 436 OD1 ASP A 30 11.763 -11.476 -4.914 1.00 0.00 O ATOM 437 OD2 ASP A 30 13.831 -11.484 -4.314 1.00 0.00 O ATOM 0 H ASP A 30 12.404 -8.695 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 30 10.202 -10.657 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.046 -10.825 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.955 -12.189 -2.170 1.00 0.00 H new ATOM 442 N ALA A 31 10.729 -9.028 -0.448 1.00 0.00 N ATOM 443 CA ALA A 31 10.286 -8.875 0.970 1.00 0.00 C ATOM 444 C ALA A 31 8.775 -9.105 1.066 1.00 0.00 C ATOM 445 O ALA A 31 8.076 -9.095 0.070 1.00 0.00 O ATOM 446 CB ALA A 31 10.618 -7.464 1.459 1.00 0.00 C ATOM 0 H ALA A 31 11.168 -8.202 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 31 10.803 -9.607 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.295 -7.352 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.694 -7.301 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.102 -6.733 0.837 1.00 0.00 H new ATOM 452 N ASP A 32 8.273 -9.316 2.255 1.00 0.00 N ATOM 453 CA ASP A 32 6.809 -9.552 2.423 1.00 0.00 C ATOM 454 C ASP A 32 6.106 -8.231 2.736 1.00 0.00 C ATOM 455 O ASP A 32 6.085 -7.783 3.866 1.00 0.00 O ATOM 456 CB ASP A 32 6.577 -10.533 3.571 1.00 0.00 C ATOM 457 CG ASP A 32 6.762 -11.965 3.066 1.00 0.00 C ATOM 458 OD1 ASP A 32 7.894 -12.417 3.033 1.00 0.00 O ATOM 459 OD2 ASP A 32 5.769 -12.584 2.724 1.00 0.00 O ATOM 0 H ASP A 32 8.816 -9.335 3.119 1.00 0.00 H new ATOM 0 HA ASP A 32 6.405 -9.968 1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.275 -10.330 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.572 -10.406 3.974 1.00 0.00 H new ATOM 464 N VAL A 33 5.524 -7.611 1.741 1.00 0.00 N ATOM 465 CA VAL A 33 4.810 -6.322 1.972 1.00 0.00 C ATOM 466 C VAL A 33 3.343 -6.610 2.303 1.00 0.00 C ATOM 467 O VAL A 33 2.746 -7.522 1.761 1.00 0.00 O ATOM 468 CB VAL A 33 4.897 -5.450 0.715 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.348 -5.021 0.490 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.412 -6.245 -0.501 1.00 0.00 C ATOM 0 H VAL A 33 5.513 -7.944 0.777 1.00 0.00 H new ATOM 0 HA VAL A 33 5.273 -5.792 2.804 1.00 0.00 H new ATOM 0 HB VAL A 33 4.269 -4.569 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.410 -4.401 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.697 -4.451 1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.973 -5.905 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.476 -5.621 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.037 -7.128 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.378 -6.552 -0.346 1.00 0.00 H new ATOM 480 N ASN A 34 2.763 -5.847 3.195 1.00 0.00 N ATOM 481 CA ASN A 34 1.336 -6.080 3.570 1.00 0.00 C ATOM 482 C ASN A 34 0.650 -4.742 3.852 1.00 0.00 C ATOM 483 O ASN A 34 1.259 -3.817 4.357 1.00 0.00 O ATOM 484 CB ASN A 34 1.278 -6.956 4.824 1.00 0.00 C ATOM 485 CG ASN A 34 1.975 -8.291 4.550 1.00 0.00 C ATOM 486 OD1 ASN A 34 1.392 -9.186 3.973 1.00 0.00 O ATOM 487 ND2 ASN A 34 3.208 -8.461 4.944 1.00 0.00 N ATOM 0 H ASN A 34 3.217 -5.073 3.680 1.00 0.00 H new ATOM 0 HA ASN A 34 0.824 -6.581 2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.760 -6.447 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.241 -7.128 5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.682 -9.346 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.697 -7.708 5.429 1.00 0.00 H new ATOM 494 N LEU A 35 -0.615 -4.638 3.533 1.00 0.00 N ATOM 495 CA LEU A 35 -1.356 -3.367 3.781 1.00 0.00 C ATOM 496 C LEU A 35 -2.357 -3.581 4.920 1.00 0.00 C ATOM 497 O LEU A 35 -3.248 -4.405 4.824 1.00 0.00 O ATOM 498 CB LEU A 35 -2.105 -2.958 2.510 1.00 0.00 C ATOM 499 CG LEU A 35 -2.626 -1.528 2.659 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.608 -0.550 2.069 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.956 -1.390 1.913 1.00 0.00 C ATOM 0 H LEU A 35 -1.168 -5.383 3.109 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.654 -2.580 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.442 -3.026 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.935 -3.641 2.329 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.776 -1.304 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.979 0.469 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.660 -0.648 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.458 -0.774 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.328 -0.371 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.806 -1.614 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.682 -2.087 2.332 1.00 0.00 H new ATOM 513 N GLU A 36 -2.212 -2.850 5.995 1.00 0.00 N ATOM 514 CA GLU A 36 -3.148 -3.009 7.148 1.00 0.00 C ATOM 515 C GLU A 36 -4.115 -1.822 7.195 1.00 0.00 C ATOM 516 O GLU A 36 -3.786 -0.726 6.781 1.00 0.00 O ATOM 517 CB GLU A 36 -2.346 -3.064 8.449 1.00 0.00 C ATOM 518 CG GLU A 36 -3.214 -3.663 9.559 1.00 0.00 C ATOM 519 CD GLU A 36 -2.344 -3.964 10.781 1.00 0.00 C ATOM 520 OE1 GLU A 36 -2.209 -3.087 11.618 1.00 0.00 O ATOM 521 OE2 GLU A 36 -1.829 -5.066 10.859 1.00 0.00 O ATOM 0 H GLU A 36 -1.484 -2.148 6.124 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.715 -3.932 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.448 -3.666 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.018 -2.063 8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.010 -2.968 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.694 -4.576 9.207 1.00 0.00 H new ATOM 528 N TYR A 37 -5.304 -2.039 7.698 1.00 0.00 N ATOM 529 CA TYR A 37 -6.303 -0.934 7.780 1.00 0.00 C ATOM 530 C TYR A 37 -7.364 -1.275 8.830 1.00 0.00 C ATOM 531 O TYR A 37 -7.887 -2.364 8.855 1.00 0.00 O ATOM 532 CB TYR A 37 -6.981 -0.751 6.423 1.00 0.00 C ATOM 533 CG TYR A 37 -7.812 0.505 6.465 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.191 1.752 6.374 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.200 0.421 6.609 1.00 0.00 C ATOM 536 CE1 TYR A 37 -7.957 2.919 6.425 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.971 1.588 6.658 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.349 2.839 6.566 1.00 0.00 C ATOM 539 OH TYR A 37 -10.106 3.991 6.618 1.00 0.00 O ATOM 0 H TYR A 37 -5.626 -2.938 8.056 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.793 -0.013 8.061 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.233 -0.683 5.633 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.609 -1.612 6.195 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.118 1.814 6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.678 -0.545 6.682 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.476 3.884 6.356 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.044 1.524 6.767 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.052 3.756 6.716 1.00 0.00 H new ATOM 549 N ASN A 38 -7.686 -0.336 9.679 1.00 0.00 N ATOM 550 CA ASN A 38 -8.710 -0.553 10.733 1.00 0.00 C ATOM 551 C ASN A 38 -8.295 -1.722 11.641 1.00 0.00 C ATOM 552 O ASN A 38 -7.665 -1.522 12.662 1.00 0.00 O ATOM 553 CB ASN A 38 -10.065 -0.825 10.070 1.00 0.00 C ATOM 554 CG ASN A 38 -10.954 0.418 10.170 1.00 0.00 C ATOM 555 OD1 ASN A 38 -11.494 0.876 9.183 1.00 0.00 O ATOM 556 ND2 ASN A 38 -11.129 0.988 11.332 1.00 0.00 N ATOM 0 H ASN A 38 -7.269 0.595 9.683 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.795 0.339 11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.920 -1.096 9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.553 -1.671 10.554 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.719 1.817 11.410 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.676 0.604 12.162 1.00 0.00 H new ATOM 563 N GLY A 39 -8.648 -2.933 11.287 1.00 0.00 N ATOM 564 CA GLY A 39 -8.278 -4.104 12.144 1.00 0.00 C ATOM 565 C GLY A 39 -8.011 -5.364 11.306 1.00 0.00 C ATOM 566 O GLY A 39 -7.783 -6.427 11.855 1.00 0.00 O ATOM 0 H GLY A 39 -9.175 -3.162 10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.390 -3.861 12.728 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.081 -4.303 12.854 1.00 0.00 H new ATOM 570 N LYS A 40 -8.019 -5.268 9.998 1.00 0.00 N ATOM 571 CA LYS A 40 -7.745 -6.467 9.160 1.00 0.00 C ATOM 572 C LYS A 40 -6.415 -6.273 8.436 1.00 0.00 C ATOM 573 O LYS A 40 -6.082 -5.184 8.007 1.00 0.00 O ATOM 574 CB LYS A 40 -8.856 -6.657 8.128 1.00 0.00 C ATOM 575 CG LYS A 40 -10.159 -7.044 8.832 1.00 0.00 C ATOM 576 CD LYS A 40 -11.350 -6.524 8.022 1.00 0.00 C ATOM 577 CE LYS A 40 -12.549 -6.316 8.949 1.00 0.00 C ATOM 578 NZ LYS A 40 -12.499 -4.942 9.523 1.00 0.00 N ATOM 0 H LYS A 40 -8.204 -4.410 9.479 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.701 -7.349 9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.998 -5.737 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.574 -7.431 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.221 -8.127 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.179 -6.626 9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.088 -5.586 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.605 -7.233 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.478 -6.458 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.537 -7.057 9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.314 -4.799 10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.618 -4.823 10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.530 -4.243 8.754 1.00 0.00 H new ATOM 592 N THR A 41 -5.658 -7.324 8.304 1.00 0.00 N ATOM 593 CA THR A 41 -4.340 -7.224 7.610 1.00 0.00 C ATOM 594 C THR A 41 -4.359 -8.088 6.349 1.00 0.00 C ATOM 595 O THR A 41 -4.643 -9.269 6.402 1.00 0.00 O ATOM 596 CB THR A 41 -3.233 -7.716 8.544 1.00 0.00 C ATOM 597 OG1 THR A 41 -3.349 -7.063 9.801 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.868 -7.405 7.929 1.00 0.00 C ATOM 0 H THR A 41 -5.894 -8.255 8.648 1.00 0.00 H new ATOM 0 HA THR A 41 -4.153 -6.185 7.337 1.00 0.00 H new ATOM 0 HB THR A 41 -3.329 -8.793 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.646 -6.386 9.884 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.080 -7.756 8.595 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.780 -7.908 6.966 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.770 -6.329 7.786 1.00 0.00 H new ATOM 606 N VAL A 42 -4.058 -7.505 5.216 1.00 0.00 N ATOM 607 CA VAL A 42 -4.057 -8.287 3.946 1.00 0.00 C ATOM 608 C VAL A 42 -2.708 -8.120 3.245 1.00 0.00 C ATOM 609 O VAL A 42 -1.814 -7.465 3.748 1.00 0.00 O ATOM 610 CB VAL A 42 -5.173 -7.783 3.029 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.531 -8.123 3.644 1.00 0.00 C ATOM 612 CG2 VAL A 42 -5.053 -6.265 2.862 1.00 0.00 C ATOM 0 H VAL A 42 -3.813 -6.520 5.117 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.223 -9.340 4.172 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.085 -8.263 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.326 -7.764 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.617 -9.203 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.619 -7.644 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.848 -5.907 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.139 -5.784 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.086 -6.023 2.422 1.00 0.00 H new ATOM 622 N ASN A 43 -2.559 -8.710 2.087 1.00 0.00 N ATOM 623 CA ASN A 43 -1.274 -8.594 1.341 1.00 0.00 C ATOM 624 C ASN A 43 -1.339 -7.391 0.400 1.00 0.00 C ATOM 625 O ASN A 43 -2.352 -7.135 -0.222 1.00 0.00 O ATOM 626 CB ASN A 43 -1.045 -9.867 0.522 1.00 0.00 C ATOM 627 CG ASN A 43 0.381 -9.867 -0.028 1.00 0.00 C ATOM 628 OD1 ASN A 43 1.280 -9.325 0.584 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.629 -10.459 -1.164 1.00 0.00 N ATOM 0 H ASN A 43 -3.276 -9.269 1.626 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.454 -8.461 2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.206 -10.747 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.762 -9.920 -0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.578 -10.467 -1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.126 -10.914 -1.677 1.00 0.00 H new ATOM 636 N LEU A 44 -0.262 -6.654 0.291 1.00 0.00 N ATOM 637 CA LEU A 44 -0.252 -5.468 -0.614 1.00 0.00 C ATOM 638 C LEU A 44 -0.331 -5.935 -2.073 1.00 0.00 C ATOM 639 O LEU A 44 -0.763 -5.199 -2.941 1.00 0.00 O ATOM 640 CB LEU A 44 1.038 -4.665 -0.391 1.00 0.00 C ATOM 641 CG LEU A 44 1.050 -3.428 -1.296 1.00 0.00 C ATOM 642 CD1 LEU A 44 -0.007 -2.424 -0.822 1.00 0.00 C ATOM 643 CD2 LEU A 44 2.435 -2.776 -1.249 1.00 0.00 C ATOM 0 H LEU A 44 0.611 -6.824 0.791 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.111 -4.834 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.111 -4.362 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.906 -5.289 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 44 0.822 -3.729 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.007 -1.548 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.993 -2.888 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.212 -2.122 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.445 -1.896 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.663 -2.480 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.184 -3.488 -1.596 1.00 0.00 H new ATOM 655 N LYS A 45 0.078 -7.150 -2.349 1.00 0.00 N ATOM 656 CA LYS A 45 0.020 -7.661 -3.750 1.00 0.00 C ATOM 657 C LYS A 45 -1.306 -8.399 -3.972 1.00 0.00 C ATOM 658 O LYS A 45 -1.340 -9.475 -4.542 1.00 0.00 O ATOM 659 CB LYS A 45 1.191 -8.618 -3.992 1.00 0.00 C ATOM 660 CG LYS A 45 2.513 -7.865 -3.827 1.00 0.00 C ATOM 661 CD LYS A 45 3.585 -8.822 -3.296 1.00 0.00 C ATOM 662 CE LYS A 45 4.417 -9.360 -4.463 1.00 0.00 C ATOM 663 NZ LYS A 45 5.713 -9.888 -3.948 1.00 0.00 N ATOM 0 H LYS A 45 0.449 -7.808 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 45 0.087 -6.825 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.145 -9.450 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.125 -9.043 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.826 -7.446 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.384 -7.029 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.229 -8.304 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.117 -9.647 -2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.870 -10.149 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.598 -8.568 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.278 -10.254 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.235 -9.124 -3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.530 -10.655 -3.270 1.00 0.00 H new ATOM 677 N SER A 46 -2.398 -7.829 -3.524 1.00 0.00 N ATOM 678 CA SER A 46 -3.722 -8.490 -3.702 1.00 0.00 C ATOM 679 C SER A 46 -4.713 -7.494 -4.307 1.00 0.00 C ATOM 680 O SER A 46 -4.839 -6.374 -3.847 1.00 0.00 O ATOM 681 CB SER A 46 -4.236 -8.957 -2.342 1.00 0.00 C ATOM 682 OG SER A 46 -5.103 -10.069 -2.525 1.00 0.00 O ATOM 0 H SER A 46 -2.426 -6.931 -3.041 1.00 0.00 H new ATOM 0 HA SER A 46 -3.618 -9.346 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.400 -9.235 -1.700 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.766 -8.146 -1.842 1.00 0.00 H new ATOM 0 HG SER A 46 -5.434 -10.373 -1.654 1.00 0.00 H new ATOM 688 N ILE A 47 -5.420 -7.898 -5.332 1.00 0.00 N ATOM 689 CA ILE A 47 -6.411 -6.983 -5.973 1.00 0.00 C ATOM 690 C ILE A 47 -7.815 -7.338 -5.482 1.00 0.00 C ATOM 691 O ILE A 47 -8.660 -6.478 -5.318 1.00 0.00 O ATOM 692 CB ILE A 47 -6.346 -7.144 -7.494 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.904 -6.931 -7.971 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.261 -6.108 -8.153 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.218 -8.287 -8.157 1.00 0.00 C ATOM 0 H ILE A 47 -5.353 -8.825 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.181 -5.951 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.673 -8.147 -7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.899 -6.378 -8.910 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.355 -6.331 -7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.217 -6.220 -9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.286 -6.260 -7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.933 -5.106 -7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.194 -8.133 -8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.210 -8.824 -7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.762 -8.871 -8.899 1.00 0.00 H new ATOM 707 N MET A 48 -8.067 -8.600 -5.246 1.00 0.00 N ATOM 708 CA MET A 48 -9.413 -9.025 -4.760 1.00 0.00 C ATOM 709 C MET A 48 -9.419 -9.135 -3.227 1.00 0.00 C ATOM 710 O MET A 48 -10.449 -9.383 -2.629 1.00 0.00 O ATOM 711 CB MET A 48 -9.766 -10.384 -5.366 1.00 0.00 C ATOM 712 CG MET A 48 -11.286 -10.516 -5.473 1.00 0.00 C ATOM 713 SD MET A 48 -11.724 -12.248 -5.763 1.00 0.00 S ATOM 714 CE MET A 48 -11.797 -12.756 -4.028 1.00 0.00 C ATOM 0 H MET A 48 -7.395 -9.357 -5.370 1.00 0.00 H new ATOM 0 HA MET A 48 -10.148 -8.280 -5.064 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.311 -10.484 -6.352 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.363 -11.186 -4.747 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.758 -10.159 -4.557 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.659 -9.894 -6.287 1.00 0.00 H new ATOM 0 HE1 MET A 48 -12.057 -13.813 -3.969 1.00 0.00 H new ATOM 0 HE2 MET A 48 -10.826 -12.595 -3.560 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.552 -12.167 -3.508 1.00 0.00 H new ATOM 724 N GLY A 49 -8.286 -8.956 -2.585 1.00 0.00 N ATOM 725 CA GLY A 49 -8.240 -9.054 -1.098 1.00 0.00 C ATOM 726 C GLY A 49 -8.509 -7.680 -0.477 1.00 0.00 C ATOM 727 O GLY A 49 -8.979 -7.581 0.640 1.00 0.00 O ATOM 0 H GLY A 49 -7.393 -8.746 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.982 -9.772 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.265 -9.422 -0.779 1.00 0.00 H new ATOM 731 N VAL A 50 -8.207 -6.622 -1.188 1.00 0.00 N ATOM 732 CA VAL A 50 -8.435 -5.252 -0.638 1.00 0.00 C ATOM 733 C VAL A 50 -9.892 -4.836 -0.866 1.00 0.00 C ATOM 734 O VAL A 50 -10.453 -4.075 -0.099 1.00 0.00 O ATOM 735 CB VAL A 50 -7.509 -4.259 -1.341 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.622 -2.890 -0.668 1.00 0.00 C ATOM 737 CG2 VAL A 50 -6.062 -4.752 -1.246 1.00 0.00 C ATOM 0 H VAL A 50 -7.811 -6.649 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.224 -5.256 0.431 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.798 -4.176 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.962 -2.182 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.651 -2.536 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.334 -2.975 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.403 -4.044 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.774 -4.836 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.978 -5.728 -1.725 1.00 0.00 H new ATOM 747 N VAL A 51 -10.503 -5.323 -1.917 1.00 0.00 N ATOM 748 CA VAL A 51 -11.923 -4.955 -2.203 1.00 0.00 C ATOM 749 C VAL A 51 -12.824 -5.427 -1.051 1.00 0.00 C ATOM 750 O VAL A 51 -13.875 -4.863 -0.807 1.00 0.00 O ATOM 751 CB VAL A 51 -12.359 -5.612 -3.523 1.00 0.00 C ATOM 752 CG1 VAL A 51 -12.245 -7.134 -3.412 1.00 0.00 C ATOM 753 CG2 VAL A 51 -13.810 -5.231 -3.842 1.00 0.00 C ATOM 0 H VAL A 51 -10.078 -5.961 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.012 -3.872 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.708 -5.259 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.556 -7.592 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.211 -7.407 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.887 -7.489 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.112 -5.700 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.461 -5.574 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.889 -4.148 -3.937 1.00 0.00 H new ATOM 763 N SER A 52 -12.422 -6.456 -0.347 1.00 0.00 N ATOM 764 CA SER A 52 -13.252 -6.968 0.782 1.00 0.00 C ATOM 765 C SER A 52 -13.345 -5.905 1.880 1.00 0.00 C ATOM 766 O SER A 52 -14.392 -5.700 2.466 1.00 0.00 O ATOM 767 CB SER A 52 -12.607 -8.231 1.354 1.00 0.00 C ATOM 768 OG SER A 52 -11.425 -7.876 2.059 1.00 0.00 O ATOM 0 H SER A 52 -11.552 -6.964 -0.508 1.00 0.00 H new ATOM 0 HA SER A 52 -14.253 -7.199 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.304 -8.739 2.021 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.370 -8.928 0.550 1.00 0.00 H new ATOM 0 HG SER A 52 -10.675 -7.817 1.431 1.00 0.00 H new ATOM 774 N LEU A 53 -12.259 -5.233 2.164 1.00 0.00 N ATOM 775 CA LEU A 53 -12.274 -4.186 3.228 1.00 0.00 C ATOM 776 C LEU A 53 -13.235 -3.060 2.838 1.00 0.00 C ATOM 777 O LEU A 53 -14.127 -2.711 3.587 1.00 0.00 O ATOM 778 CB LEU A 53 -10.866 -3.613 3.400 1.00 0.00 C ATOM 779 CG LEU A 53 -9.946 -4.678 4.014 1.00 0.00 C ATOM 780 CD1 LEU A 53 -9.061 -5.286 2.924 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.060 -4.036 5.086 1.00 0.00 C ATOM 0 H LEU A 53 -11.359 -5.365 1.702 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.606 -4.634 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.473 -3.292 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.897 -2.732 4.041 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.556 -5.461 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.410 -6.041 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.688 -5.747 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.454 -4.503 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.408 -4.794 5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.454 -3.251 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.687 -3.606 5.867 1.00 0.00 H new ATOM 793 N GLY A 54 -13.051 -2.486 1.676 1.00 0.00 N ATOM 794 CA GLY A 54 -13.945 -1.374 1.236 1.00 0.00 C ATOM 795 C GLY A 54 -13.496 -0.076 1.907 1.00 0.00 C ATOM 796 O GLY A 54 -14.259 0.572 2.600 1.00 0.00 O ATOM 0 H GLY A 54 -12.319 -2.740 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.909 -1.269 0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.979 -1.596 1.500 1.00 0.00 H new ATOM 800 N ILE A 55 -12.260 0.304 1.708 1.00 0.00 N ATOM 801 CA ILE A 55 -11.741 1.551 2.330 1.00 0.00 C ATOM 802 C ILE A 55 -12.436 2.759 1.702 1.00 0.00 C ATOM 803 O ILE A 55 -13.012 2.677 0.634 1.00 0.00 O ATOM 804 CB ILE A 55 -10.229 1.641 2.099 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.558 0.382 2.657 1.00 0.00 C ATOM 806 CG2 ILE A 55 -9.671 2.872 2.817 1.00 0.00 C ATOM 807 CD1 ILE A 55 -8.066 0.396 2.318 1.00 0.00 C ATOM 0 H ILE A 55 -11.585 -0.203 1.136 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.941 1.540 3.401 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.029 1.724 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.694 0.335 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.027 -0.508 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.595 2.934 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.150 3.770 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.869 2.791 3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.594 -0.502 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.939 0.422 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.601 1.278 2.759 1.00 0.00 H new ATOM 819 N ALA A 56 -12.381 3.876 2.371 1.00 0.00 N ATOM 820 CA ALA A 56 -13.031 5.112 1.843 1.00 0.00 C ATOM 821 C ALA A 56 -12.032 6.274 1.883 1.00 0.00 C ATOM 822 O ALA A 56 -10.838 6.071 1.994 1.00 0.00 O ATOM 823 CB ALA A 56 -14.251 5.451 2.707 1.00 0.00 C ATOM 0 H ALA A 56 -11.910 3.989 3.269 1.00 0.00 H new ATOM 0 HA ALA A 56 -13.349 4.947 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.728 6.353 2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.960 4.624 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.933 5.617 3.736 1.00 0.00 H new ATOM 829 N LYS A 57 -12.515 7.488 1.790 1.00 0.00 N ATOM 830 CA LYS A 57 -11.603 8.671 1.818 1.00 0.00 C ATOM 831 C LYS A 57 -11.078 8.883 3.239 1.00 0.00 C ATOM 832 O LYS A 57 -11.698 8.478 4.204 1.00 0.00 O ATOM 833 CB LYS A 57 -12.368 9.924 1.376 1.00 0.00 C ATOM 834 CG LYS A 57 -13.103 9.654 0.056 1.00 0.00 C ATOM 835 CD LYS A 57 -14.589 9.378 0.332 1.00 0.00 C ATOM 836 CE LYS A 57 -15.457 10.214 -0.613 1.00 0.00 C ATOM 837 NZ LYS A 57 -16.734 10.569 0.069 1.00 0.00 N ATOM 0 H LYS A 57 -13.506 7.711 1.696 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.768 8.492 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.082 10.214 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.676 10.757 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.001 10.511 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.654 8.801 -0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.803 8.318 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.827 9.620 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.926 11.119 -0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.663 9.654 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.324 11.137 -0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.242 9.700 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.528 11.119 0.927 1.00 0.00 H new ATOM 851 N GLY A 58 -9.939 9.517 3.372 1.00 0.00 N ATOM 852 CA GLY A 58 -9.362 9.764 4.729 1.00 0.00 C ATOM 853 C GLY A 58 -9.094 8.427 5.419 1.00 0.00 C ATOM 854 O GLY A 58 -9.531 8.193 6.530 1.00 0.00 O ATOM 0 H GLY A 58 -9.382 9.875 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.437 10.334 4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.051 10.362 5.326 1.00 0.00 H new ATOM 858 N ALA A 59 -8.385 7.548 4.761 1.00 0.00 N ATOM 859 CA ALA A 59 -8.088 6.216 5.362 1.00 0.00 C ATOM 860 C ALA A 59 -6.600 6.121 5.707 1.00 0.00 C ATOM 861 O ALA A 59 -5.745 6.306 4.861 1.00 0.00 O ATOM 862 CB ALA A 59 -8.453 5.120 4.359 1.00 0.00 C ATOM 0 H ALA A 59 -7.998 7.697 3.829 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.673 6.090 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.238 4.143 4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.514 5.185 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.867 5.250 3.449 1.00 0.00 H new ATOM 868 N GLU A 60 -6.289 5.823 6.942 1.00 0.00 N ATOM 869 CA GLU A 60 -4.861 5.700 7.352 1.00 0.00 C ATOM 870 C GLU A 60 -4.390 4.266 7.100 1.00 0.00 C ATOM 871 O GLU A 60 -4.850 3.334 7.732 1.00 0.00 O ATOM 872 CB GLU A 60 -4.724 6.027 8.840 1.00 0.00 C ATOM 873 CG GLU A 60 -5.145 7.478 9.086 1.00 0.00 C ATOM 874 CD GLU A 60 -4.702 7.907 10.486 1.00 0.00 C ATOM 875 OE1 GLU A 60 -3.544 8.264 10.637 1.00 0.00 O ATOM 876 OE2 GLU A 60 -5.527 7.874 11.384 1.00 0.00 O ATOM 0 H GLU A 60 -6.967 5.659 7.686 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.253 6.395 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.345 5.352 9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.694 5.877 9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.698 8.130 8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.226 7.576 8.989 1.00 0.00 H new ATOM 883 N ILE A 61 -3.481 4.085 6.177 1.00 0.00 N ATOM 884 CA ILE A 61 -2.979 2.712 5.872 1.00 0.00 C ATOM 885 C ILE A 61 -1.592 2.522 6.488 1.00 0.00 C ATOM 886 O ILE A 61 -0.856 3.469 6.686 1.00 0.00 O ATOM 887 CB ILE A 61 -2.894 2.521 4.356 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.087 3.669 3.740 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.302 2.513 3.762 1.00 0.00 C ATOM 890 CD1 ILE A 61 -1.720 3.319 2.296 1.00 0.00 C ATOM 0 H ILE A 61 -3.064 4.831 5.620 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.665 1.977 6.293 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.403 1.573 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.668 4.591 3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.183 3.846 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.241 2.377 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.876 1.696 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.795 3.460 3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.146 4.136 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.122 2.408 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.630 3.164 1.717 1.00 0.00 H new ATOM 902 N THR A 62 -1.233 1.299 6.788 1.00 0.00 N ATOM 903 CA THR A 62 0.105 1.029 7.388 1.00 0.00 C ATOM 904 C THR A 62 0.836 -0.020 6.549 1.00 0.00 C ATOM 905 O THR A 62 0.453 -1.175 6.513 1.00 0.00 O ATOM 906 CB THR A 62 -0.069 0.508 8.817 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.914 1.391 9.540 1.00 0.00 O ATOM 908 CG2 THR A 62 1.296 0.427 9.502 1.00 0.00 C ATOM 0 H THR A 62 -1.814 0.473 6.642 1.00 0.00 H new ATOM 0 HA THR A 62 0.686 1.951 7.407 1.00 0.00 H new ATOM 0 HB THR A 62 -0.518 -0.485 8.791 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.028 1.059 10.455 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.171 0.056 10.519 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.943 -0.251 8.945 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.748 1.418 9.530 1.00 0.00 H new ATOM 916 N ILE A 63 1.882 0.375 5.872 1.00 0.00 N ATOM 917 CA ILE A 63 2.645 -0.588 5.028 1.00 0.00 C ATOM 918 C ILE A 63 3.849 -1.114 5.817 1.00 0.00 C ATOM 919 O ILE A 63 4.664 -0.354 6.302 1.00 0.00 O ATOM 920 CB ILE A 63 3.116 0.128 3.754 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.894 0.597 2.960 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.948 -0.823 2.887 1.00 0.00 C ATOM 923 CD1 ILE A 63 1.579 2.050 3.319 1.00 0.00 C ATOM 0 H ILE A 63 2.242 1.329 5.868 1.00 0.00 H new ATOM 0 HA ILE A 63 2.010 -1.430 4.753 1.00 0.00 H new ATOM 0 HB ILE A 63 3.732 0.983 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.086 0.509 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.037 -0.038 3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.275 -0.302 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.819 -1.159 3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.342 -1.685 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.709 2.384 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.369 2.124 4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.435 2.679 3.074 1.00 0.00 H new ATOM 935 N SER A 64 3.962 -2.413 5.938 1.00 0.00 N ATOM 936 CA SER A 64 5.109 -3.005 6.686 1.00 0.00 C ATOM 937 C SER A 64 5.805 -4.043 5.803 1.00 0.00 C ATOM 938 O SER A 64 5.161 -4.849 5.157 1.00 0.00 O ATOM 939 CB SER A 64 4.594 -3.680 7.959 1.00 0.00 C ATOM 940 OG SER A 64 3.914 -4.879 7.612 1.00 0.00 O ATOM 0 H SER A 64 3.306 -3.090 5.549 1.00 0.00 H new ATOM 0 HA SER A 64 5.816 -2.220 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.425 -3.900 8.629 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.922 -3.009 8.494 1.00 0.00 H new ATOM 0 HG SER A 64 3.584 -5.315 8.425 1.00 0.00 H new ATOM 946 N ALA A 65 7.113 -4.025 5.768 1.00 0.00 N ATOM 947 CA ALA A 65 7.857 -5.005 4.924 1.00 0.00 C ATOM 948 C ALA A 65 8.808 -5.822 5.802 1.00 0.00 C ATOM 949 O ALA A 65 9.485 -5.287 6.660 1.00 0.00 O ATOM 950 CB ALA A 65 8.663 -4.255 3.862 1.00 0.00 C ATOM 0 H ALA A 65 7.698 -3.372 6.289 1.00 0.00 H new ATOM 0 HA ALA A 65 7.148 -5.675 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.207 -4.971 3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.987 -3.675 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.371 -3.584 4.349 1.00 0.00 H new ATOM 956 N SER A 66 8.861 -7.112 5.591 1.00 0.00 N ATOM 957 CA SER A 66 9.763 -7.974 6.407 1.00 0.00 C ATOM 958 C SER A 66 10.387 -9.051 5.514 1.00 0.00 C ATOM 959 O SER A 66 9.737 -10.008 5.138 1.00 0.00 O ATOM 960 CB SER A 66 8.955 -8.639 7.521 1.00 0.00 C ATOM 961 OG SER A 66 8.071 -7.682 8.094 1.00 0.00 O ATOM 0 H SER A 66 8.315 -7.606 4.885 1.00 0.00 H new ATOM 0 HA SER A 66 10.554 -7.364 6.844 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.389 -9.481 7.123 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.624 -9.036 8.284 1.00 0.00 H new ATOM 0 HG SER A 66 7.550 -8.105 8.808 1.00 0.00 H new ATOM 967 N GLY A 67 11.641 -8.895 5.171 1.00 0.00 N ATOM 968 CA GLY A 67 12.316 -9.903 4.302 1.00 0.00 C ATOM 969 C GLY A 67 13.794 -9.535 4.144 1.00 0.00 C ATOM 970 O GLY A 67 14.482 -9.275 5.113 1.00 0.00 O ATOM 0 H GLY A 67 12.227 -8.110 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.223 -10.897 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.833 -9.938 3.326 1.00 0.00 H new ATOM 974 N ALA A 68 14.283 -9.513 2.930 1.00 0.00 N ATOM 975 CA ALA A 68 15.715 -9.164 2.699 1.00 0.00 C ATOM 976 C ALA A 68 15.818 -7.696 2.278 1.00 0.00 C ATOM 977 O ALA A 68 16.519 -6.913 2.891 1.00 0.00 O ATOM 978 CB ALA A 68 16.285 -10.063 1.596 1.00 0.00 C ATOM 0 H ALA A 68 13.749 -9.723 2.087 1.00 0.00 H new ATOM 0 HA ALA A 68 16.284 -9.315 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.331 -9.810 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.209 -11.107 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.720 -9.912 0.676 1.00 0.00 H new ATOM 984 N ASP A 69 15.120 -7.320 1.237 1.00 0.00 N ATOM 985 CA ASP A 69 15.167 -5.903 0.768 1.00 0.00 C ATOM 986 C ASP A 69 13.922 -5.163 1.263 1.00 0.00 C ATOM 987 O ASP A 69 13.332 -4.375 0.548 1.00 0.00 O ATOM 988 CB ASP A 69 15.218 -5.864 -0.765 1.00 0.00 C ATOM 989 CG ASP A 69 14.106 -6.741 -1.349 1.00 0.00 C ATOM 990 OD1 ASP A 69 13.054 -6.822 -0.736 1.00 0.00 O ATOM 991 OD2 ASP A 69 14.327 -7.318 -2.401 1.00 0.00 O ATOM 0 H ASP A 69 14.518 -7.936 0.690 1.00 0.00 H new ATOM 0 HA ASP A 69 16.059 -5.419 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.105 -4.838 -1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.190 -6.214 -1.114 1.00 0.00 H new ATOM 996 N GLU A 70 13.520 -5.417 2.483 1.00 0.00 N ATOM 997 CA GLU A 70 12.312 -4.736 3.037 1.00 0.00 C ATOM 998 C GLU A 70 12.539 -3.221 3.065 1.00 0.00 C ATOM 999 O GLU A 70 11.613 -2.444 2.937 1.00 0.00 O ATOM 1000 CB GLU A 70 12.047 -5.242 4.459 1.00 0.00 C ATOM 1001 CG GLU A 70 13.286 -5.015 5.332 1.00 0.00 C ATOM 1002 CD GLU A 70 13.407 -6.147 6.354 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.629 -6.157 7.293 1.00 0.00 O ATOM 1004 OE2 GLU A 70 14.278 -6.985 6.180 1.00 0.00 O ATOM 0 H GLU A 70 13.978 -6.069 3.120 1.00 0.00 H new ATOM 0 HA GLU A 70 11.452 -4.958 2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.190 -4.721 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.797 -6.303 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.180 -4.976 4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.212 -4.055 5.844 1.00 0.00 H new ATOM 1011 N ASN A 71 13.767 -2.802 3.234 1.00 0.00 N ATOM 1012 CA ASN A 71 14.069 -1.341 3.275 1.00 0.00 C ATOM 1013 C ASN A 71 13.833 -0.718 1.898 1.00 0.00 C ATOM 1014 O ASN A 71 13.343 0.388 1.788 1.00 0.00 O ATOM 1015 CB ASN A 71 15.528 -1.131 3.682 1.00 0.00 C ATOM 1016 CG ASN A 71 15.619 -1.000 5.202 1.00 0.00 C ATOM 1017 OD1 ASN A 71 15.699 -1.987 5.907 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.609 0.189 5.742 1.00 0.00 N ATOM 0 H ASN A 71 14.576 -3.412 3.346 1.00 0.00 H new ATOM 0 HA ASN A 71 13.412 -0.864 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.136 -1.969 3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.925 -0.235 3.205 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.668 0.289 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.542 1.017 5.150 1.00 0.00 H new ATOM 1025 N ASP A 72 14.187 -1.416 0.849 1.00 0.00 N ATOM 1026 CA ASP A 72 13.991 -0.861 -0.524 1.00 0.00 C ATOM 1027 C ASP A 72 12.519 -0.984 -0.942 1.00 0.00 C ATOM 1028 O ASP A 72 12.062 -0.284 -1.824 1.00 0.00 O ATOM 1029 CB ASP A 72 14.868 -1.631 -1.516 1.00 0.00 C ATOM 1030 CG ASP A 72 16.311 -1.671 -1.007 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.792 -0.640 -0.564 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.911 -2.732 -1.068 1.00 0.00 O ATOM 0 H ASP A 72 14.603 -2.346 0.884 1.00 0.00 H new ATOM 0 HA ASP A 72 14.272 0.192 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.488 -2.645 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.831 -1.154 -2.495 1.00 0.00 H new ATOM 1037 N ALA A 73 11.779 -1.875 -0.325 1.00 0.00 N ATOM 1038 CA ALA A 73 10.342 -2.051 -0.697 1.00 0.00 C ATOM 1039 C ALA A 73 9.477 -0.977 -0.026 1.00 0.00 C ATOM 1040 O ALA A 73 8.486 -0.540 -0.582 1.00 0.00 O ATOM 1041 CB ALA A 73 9.869 -3.435 -0.246 1.00 0.00 C ATOM 0 H ALA A 73 12.110 -2.487 0.420 1.00 0.00 H new ATOM 0 HA ALA A 73 10.245 -1.956 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.821 -3.567 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.469 -4.202 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.979 -3.523 0.835 1.00 0.00 H new ATOM 1047 N LEU A 74 9.828 -0.560 1.167 1.00 0.00 N ATOM 1048 CA LEU A 74 9.004 0.471 1.871 1.00 0.00 C ATOM 1049 C LEU A 74 9.288 1.867 1.302 1.00 0.00 C ATOM 1050 O LEU A 74 8.387 2.671 1.153 1.00 0.00 O ATOM 1051 CB LEU A 74 9.300 0.447 3.379 1.00 0.00 C ATOM 1052 CG LEU A 74 10.776 0.766 3.641 1.00 0.00 C ATOM 1053 CD1 LEU A 74 10.948 2.272 3.873 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.246 0.002 4.882 1.00 0.00 C ATOM 0 H LEU A 74 10.646 -0.888 1.681 1.00 0.00 H new ATOM 0 HA LEU A 74 7.951 0.238 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.668 1.173 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.055 -0.533 3.788 1.00 0.00 H new ATOM 0 HG LEU A 74 11.370 0.466 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.999 2.494 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.613 2.817 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.355 2.577 4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.296 0.226 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.649 0.304 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.128 -1.069 4.716 1.00 0.00 H new ATOM 1066 N ASN A 75 10.526 2.165 0.983 1.00 0.00 N ATOM 1067 CA ASN A 75 10.846 3.517 0.427 1.00 0.00 C ATOM 1068 C ASN A 75 10.472 3.571 -1.057 1.00 0.00 C ATOM 1069 O ASN A 75 10.169 4.623 -1.588 1.00 0.00 O ATOM 1070 CB ASN A 75 12.336 3.842 0.596 1.00 0.00 C ATOM 1071 CG ASN A 75 13.209 2.659 0.173 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.832 1.880 -0.678 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.377 2.498 0.736 1.00 0.00 N ATOM 0 H ASN A 75 11.322 1.535 1.083 1.00 0.00 H new ATOM 0 HA ASN A 75 10.267 4.258 0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.590 4.718 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.540 4.095 1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.973 1.717 0.460 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.693 3.153 1.451 1.00 0.00 H new ATOM 1080 N ALA A 76 10.479 2.446 -1.724 1.00 0.00 N ATOM 1081 CA ALA A 76 10.113 2.428 -3.171 1.00 0.00 C ATOM 1082 C ALA A 76 8.603 2.633 -3.305 1.00 0.00 C ATOM 1083 O ALA A 76 8.127 3.227 -4.255 1.00 0.00 O ATOM 1084 CB ALA A 76 10.507 1.082 -3.782 1.00 0.00 C ATOM 0 H ALA A 76 10.723 1.538 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 76 10.639 3.226 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.239 1.070 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.582 0.936 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.981 0.280 -3.265 1.00 0.00 H new ATOM 1090 N LEU A 77 7.851 2.155 -2.347 1.00 0.00 N ATOM 1091 CA LEU A 77 6.371 2.326 -2.392 1.00 0.00 C ATOM 1092 C LEU A 77 6.019 3.733 -1.905 1.00 0.00 C ATOM 1093 O LEU A 77 5.022 4.305 -2.300 1.00 0.00 O ATOM 1094 CB LEU A 77 5.705 1.289 -1.483 1.00 0.00 C ATOM 1095 CG LEU A 77 5.858 -0.103 -2.096 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.770 -1.159 -0.993 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.738 -0.335 -3.114 1.00 0.00 C ATOM 0 H LEU A 77 8.202 1.651 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 77 6.016 2.188 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.159 1.313 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.649 1.527 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 77 6.825 -0.178 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.879 -2.152 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.565 -0.993 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.803 -1.086 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.845 -1.327 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.772 -0.261 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.799 0.418 -3.900 1.00 0.00 H new ATOM 1109 N GLU A 78 6.839 4.292 -1.051 1.00 0.00 N ATOM 1110 CA GLU A 78 6.577 5.662 -0.531 1.00 0.00 C ATOM 1111 C GLU A 78 6.636 6.662 -1.692 1.00 0.00 C ATOM 1112 O GLU A 78 5.740 7.464 -1.876 1.00 0.00 O ATOM 1113 CB GLU A 78 7.647 6.002 0.515 1.00 0.00 C ATOM 1114 CG GLU A 78 7.431 7.420 1.060 1.00 0.00 C ATOM 1115 CD GLU A 78 8.461 8.373 0.447 1.00 0.00 C ATOM 1116 OE1 GLU A 78 8.604 8.360 -0.765 1.00 0.00 O ATOM 1117 OE2 GLU A 78 9.091 9.098 1.200 1.00 0.00 O ATOM 0 H GLU A 78 7.685 3.851 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 78 5.590 5.712 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.608 5.282 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.638 5.924 0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.422 7.760 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.523 7.420 2.146 1.00 0.00 H new ATOM 1124 N GLU A 79 7.688 6.619 -2.472 1.00 0.00 N ATOM 1125 CA GLU A 79 7.815 7.565 -3.622 1.00 0.00 C ATOM 1126 C GLU A 79 6.662 7.340 -4.606 1.00 0.00 C ATOM 1127 O GLU A 79 6.102 8.279 -5.140 1.00 0.00 O ATOM 1128 CB GLU A 79 9.155 7.338 -4.334 1.00 0.00 C ATOM 1129 CG GLU A 79 9.261 5.884 -4.812 1.00 0.00 C ATOM 1130 CD GLU A 79 10.642 5.649 -5.426 1.00 0.00 C ATOM 1131 OE1 GLU A 79 10.864 6.110 -6.533 1.00 0.00 O ATOM 1132 OE2 GLU A 79 11.455 5.012 -4.776 1.00 0.00 O ATOM 0 H GLU A 79 8.465 5.968 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 79 7.775 8.589 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.243 8.015 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.978 7.567 -3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.102 5.203 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.484 5.674 -5.547 1.00 0.00 H new ATOM 1139 N THR A 80 6.308 6.104 -4.847 1.00 0.00 N ATOM 1140 CA THR A 80 5.192 5.810 -5.796 1.00 0.00 C ATOM 1141 C THR A 80 3.875 6.357 -5.235 1.00 0.00 C ATOM 1142 O THR A 80 2.963 6.676 -5.974 1.00 0.00 O ATOM 1143 CB THR A 80 5.072 4.297 -5.984 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.346 3.758 -6.315 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.079 3.997 -7.109 1.00 0.00 C ATOM 0 H THR A 80 6.745 5.284 -4.427 1.00 0.00 H new ATOM 0 HA THR A 80 5.400 6.285 -6.754 1.00 0.00 H new ATOM 0 HB THR A 80 4.716 3.843 -5.059 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.861 3.609 -5.495 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.995 2.918 -7.242 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.103 4.408 -6.852 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.431 4.450 -8.036 1.00 0.00 H new ATOM 1153 N MET A 81 3.770 6.463 -3.933 1.00 0.00 N ATOM 1154 CA MET A 81 2.514 6.982 -3.315 1.00 0.00 C ATOM 1155 C MET A 81 2.367 8.473 -3.623 1.00 0.00 C ATOM 1156 O MET A 81 1.299 8.937 -3.976 1.00 0.00 O ATOM 1157 CB MET A 81 2.570 6.776 -1.800 1.00 0.00 C ATOM 1158 CG MET A 81 2.305 5.305 -1.474 1.00 0.00 C ATOM 1159 SD MET A 81 0.521 5.022 -1.378 1.00 0.00 S ATOM 1160 CE MET A 81 0.589 3.230 -1.132 1.00 0.00 C ATOM 0 H MET A 81 4.504 6.211 -3.271 1.00 0.00 H new ATOM 0 HA MET A 81 1.659 6.444 -3.725 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.546 7.074 -1.418 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.829 7.407 -1.309 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.745 4.666 -2.240 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.778 5.040 -0.528 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.276 2.765 -1.605 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.502 2.836 -1.578 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.581 3.009 -0.065 1.00 0.00 H new ATOM 1170 N LYS A 82 3.431 9.225 -3.493 1.00 0.00 N ATOM 1171 CA LYS A 82 3.358 10.690 -3.776 1.00 0.00 C ATOM 1172 C LYS A 82 3.589 10.963 -5.271 1.00 0.00 C ATOM 1173 O LYS A 82 3.728 12.101 -5.677 1.00 0.00 O ATOM 1174 CB LYS A 82 4.428 11.417 -2.958 1.00 0.00 C ATOM 1175 CG LYS A 82 4.259 11.072 -1.476 1.00 0.00 C ATOM 1176 CD LYS A 82 5.025 12.086 -0.621 1.00 0.00 C ATOM 1177 CE LYS A 82 4.061 13.157 -0.103 1.00 0.00 C ATOM 1178 NZ LYS A 82 4.664 13.841 1.075 1.00 0.00 N ATOM 0 H LYS A 82 4.348 8.886 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 82 2.367 11.052 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.422 11.126 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.343 12.494 -3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.202 11.081 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.629 10.065 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.506 11.580 0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.816 12.549 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.850 13.882 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.110 12.702 0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.009 14.568 1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.844 13.145 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.560 14.288 0.796 1.00 0.00 H new ATOM 1192 N SER A 83 3.631 9.939 -6.095 1.00 0.00 N ATOM 1193 CA SER A 83 3.851 10.157 -7.555 1.00 0.00 C ATOM 1194 C SER A 83 2.501 10.324 -8.257 1.00 0.00 C ATOM 1195 O SER A 83 2.392 11.015 -9.252 1.00 0.00 O ATOM 1196 CB SER A 83 4.588 8.954 -8.145 1.00 0.00 C ATOM 1197 OG SER A 83 3.751 7.808 -8.073 1.00 0.00 O ATOM 0 H SER A 83 3.522 8.964 -5.815 1.00 0.00 H new ATOM 0 HA SER A 83 4.449 11.057 -7.701 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.862 9.153 -9.181 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.514 8.777 -7.598 1.00 0.00 H new ATOM 0 HG SER A 83 3.341 7.758 -7.184 1.00 0.00 H new ATOM 1203 N GLU A 84 1.475 9.692 -7.744 1.00 0.00 N ATOM 1204 CA GLU A 84 0.126 9.806 -8.376 1.00 0.00 C ATOM 1205 C GLU A 84 -0.843 10.561 -7.453 1.00 0.00 C ATOM 1206 O GLU A 84 -1.979 10.804 -7.815 1.00 0.00 O ATOM 1207 CB GLU A 84 -0.423 8.404 -8.649 1.00 0.00 C ATOM 1208 CG GLU A 84 0.157 7.873 -9.961 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.829 6.889 -10.595 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.914 7.315 -10.953 1.00 0.00 O ATOM 1211 OE2 GLU A 84 -0.480 5.725 -10.711 1.00 0.00 O ATOM 0 H GLU A 84 1.514 9.101 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 84 0.222 10.360 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.165 7.735 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.511 8.433 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.353 8.699 -10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.111 7.379 -9.776 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.414 10.935 -6.268 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.321 11.672 -5.339 1.00 0.00 C ATOM 1220 C GLY A 85 -2.321 10.697 -4.717 1.00 0.00 C ATOM 1221 O GLY A 85 -3.513 10.936 -4.713 1.00 0.00 O ATOM 0 H GLY A 85 0.524 10.760 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.739 12.160 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.851 12.457 -5.879 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.840 9.600 -4.188 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.753 8.600 -3.562 1.00 0.00 C ATOM 1227 C LEU A 86 -2.778 8.813 -2.046 1.00 0.00 C ATOM 1228 O LEU A 86 -3.784 8.598 -1.398 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.253 7.188 -3.870 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.399 6.910 -5.367 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.654 5.623 -5.726 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.881 6.752 -5.712 1.00 0.00 C ATOM 0 H LEU A 86 -0.850 9.355 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.758 8.724 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.210 7.087 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.822 6.456 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.978 7.741 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.760 5.427 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.598 5.733 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.073 4.790 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.987 6.554 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.300 5.921 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.413 7.669 -5.459 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.676 9.237 -1.482 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.624 9.471 -0.008 1.00 0.00 C ATOM 1246 C GLY A 87 -0.401 10.324 0.330 1.00 0.00 C ATOM 1247 O GLY A 87 0.400 10.642 -0.528 1.00 0.00 O ATOM 0 H GLY A 87 -0.808 9.432 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.533 9.972 0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.574 8.519 0.521 1.00 0.00 H new ATOM 1251 N GLU A 88 -0.252 10.694 1.577 1.00 0.00 N ATOM 1252 CA GLU A 88 0.918 11.529 1.982 1.00 0.00 C ATOM 1253 C GLU A 88 0.949 11.660 3.507 1.00 0.00 C ATOM 1254 O GLU A 88 1.950 11.281 4.094 1.00 0.00 O ATOM 1255 CB GLU A 88 0.801 12.918 1.349 1.00 0.00 C ATOM 1256 CG GLU A 88 -0.540 13.552 1.734 1.00 0.00 C ATOM 1257 CD GLU A 88 -1.074 14.376 0.560 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -1.534 13.763 -0.496 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -1.073 15.590 0.605 1.00 0.00 O ATOM 1260 OXT GLU A 88 -0.027 12.137 4.060 1.00 0.00 O ATOM 0 H GLU A 88 -0.892 10.453 2.333 1.00 0.00 H new ATOM 0 HA GLU A 88 1.838 11.054 1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.623 13.551 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.880 12.841 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.257 12.776 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.415 14.188 2.611 1.00 0.00 H new