USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 512 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 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 47 SER OG : rot 109:sc= 0.556 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= -0.814 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0219) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.35 K(o=-1.3,f=-6.1!) USER MOD Single : A 9 MET CE :methyl -177:sc= -4.4! (180deg=-4.52!) USER MOD Single : A 14 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-3!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.484 X(o=-0.48,f=-0.54) USER MOD Single : A 27 GLN : amide:sc=-0.00326 K(o=-0.0033,f=-1.4) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -135:sc= -0.05 (180deg=-0.323) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 120:sc= -0.764 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.776 -0.987 8.870 1.00 0.00 N ATOM 2 CA GLY A 1 8.922 -0.303 9.441 1.00 0.00 C ATOM 3 C GLY A 1 10.125 -0.319 8.519 1.00 0.00 C ATOM 4 O GLY A 1 10.813 0.690 8.369 1.00 0.00 O ATOM 0 H1 GLY A 1 6.960 -0.890 9.508 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.545 -0.567 7.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.000 -1.995 8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.652 0.729 9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.187 -0.773 10.388 1.00 0.00 H new ATOM 8 N SER A 2 10.380 -1.468 7.900 1.00 0.00 N ATOM 9 CA SER A 2 11.511 -1.612 6.992 1.00 0.00 C ATOM 10 C SER A 2 11.271 -0.842 5.698 1.00 0.00 C ATOM 11 O SER A 2 10.150 -0.791 5.192 1.00 0.00 O ATOM 12 CB SER A 2 11.758 -3.090 6.682 1.00 0.00 C ATOM 13 OG SER A 2 13.095 -3.307 6.265 1.00 0.00 O ATOM 0 H SER A 2 9.818 -2.312 8.011 1.00 0.00 H new ATOM 0 HA SER A 2 12.393 -1.198 7.481 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.548 -3.691 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.072 -3.421 5.902 1.00 0.00 H new ATOM 0 HG SER A 2 13.228 -4.259 6.075 1.00 0.00 H new ATOM 19 N SER A 3 12.332 -0.243 5.167 1.00 0.00 N ATOM 20 CA SER A 3 12.237 0.528 3.933 1.00 0.00 C ATOM 21 C SER A 3 13.209 -0.003 2.884 1.00 0.00 C ATOM 22 O SER A 3 14.082 -0.816 3.185 1.00 0.00 O ATOM 23 CB SER A 3 12.524 2.006 4.207 1.00 0.00 C ATOM 24 OG SER A 3 11.626 2.529 5.171 1.00 0.00 O ATOM 0 H SER A 3 13.267 -0.277 5.572 1.00 0.00 H new ATOM 0 HA SER A 3 11.222 0.427 3.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.549 2.122 4.560 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.440 2.574 3.281 1.00 0.00 H new ATOM 0 HG SER A 3 11.831 3.474 5.330 1.00 0.00 H new ATOM 30 N GLY A 4 13.050 0.463 1.649 1.00 0.00 N ATOM 31 CA GLY A 4 13.919 0.024 0.572 1.00 0.00 C ATOM 32 C GLY A 4 14.119 -1.478 0.564 1.00 0.00 C ATOM 33 O GLY A 4 15.227 -1.965 0.787 1.00 0.00 O ATOM 0 H GLY A 4 12.335 1.137 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.495 0.336 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.887 0.516 0.667 1.00 0.00 H new ATOM 37 N SER A 5 13.043 -2.215 0.309 1.00 0.00 N ATOM 38 CA SER A 5 13.104 -3.672 0.279 1.00 0.00 C ATOM 39 C SER A 5 12.471 -4.216 -0.999 1.00 0.00 C ATOM 40 O SER A 5 11.721 -3.516 -1.679 1.00 0.00 O ATOM 41 CB SER A 5 12.396 -4.259 1.502 1.00 0.00 C ATOM 42 OG SER A 5 13.284 -4.370 2.600 1.00 0.00 O ATOM 0 H SER A 5 12.119 -1.828 0.120 1.00 0.00 H new ATOM 0 HA SER A 5 14.153 -3.967 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.551 -3.627 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.992 -5.241 1.256 1.00 0.00 H new ATOM 0 HG SER A 5 12.807 -4.746 3.369 1.00 0.00 H new ATOM 48 N SER A 6 12.779 -5.469 -1.317 1.00 0.00 N ATOM 49 CA SER A 6 12.245 -6.107 -2.515 1.00 0.00 C ATOM 50 C SER A 6 11.182 -7.139 -2.152 1.00 0.00 C ATOM 51 O SER A 6 11.466 -8.332 -2.056 1.00 0.00 O ATOM 52 CB SER A 6 13.370 -6.773 -3.309 1.00 0.00 C ATOM 53 OG SER A 6 14.170 -5.808 -3.968 1.00 0.00 O ATOM 0 H SER A 6 13.395 -6.063 -0.762 1.00 0.00 H new ATOM 0 HA SER A 6 11.783 -5.337 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.990 -7.367 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.945 -7.459 -4.042 1.00 0.00 H new ATOM 0 HG SER A 6 14.883 -6.259 -4.467 1.00 0.00 H new ATOM 59 N GLY A 7 9.954 -6.670 -1.950 1.00 0.00 N ATOM 60 CA GLY A 7 8.867 -7.564 -1.600 1.00 0.00 C ATOM 61 C GLY A 7 7.619 -7.309 -2.422 1.00 0.00 C ATOM 62 O GLY A 7 7.465 -7.853 -3.514 1.00 0.00 O ATOM 0 H GLY A 7 9.693 -5.687 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.188 -8.596 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.632 -7.448 -0.542 1.00 0.00 H new ATOM 66 N ASN A 8 6.724 -6.480 -1.894 1.00 0.00 N ATOM 67 CA ASN A 8 5.481 -6.156 -2.585 1.00 0.00 C ATOM 68 C ASN A 8 5.360 -4.652 -2.810 1.00 0.00 C ATOM 69 O ASN A 8 5.309 -3.874 -1.857 1.00 0.00 O ATOM 70 CB ASN A 8 4.280 -6.662 -1.784 1.00 0.00 C ATOM 71 CG ASN A 8 4.295 -6.171 -0.349 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.775 -5.098 -0.043 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.892 -6.957 0.539 1.00 0.00 N ATOM 0 H ASN A 8 6.836 -6.021 -0.990 1.00 0.00 H new ATOM 0 HA ASN A 8 5.495 -6.651 -3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.360 -6.334 -2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.274 -7.752 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.933 -6.680 1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.310 -7.838 0.241 1.00 0.00 H new ATOM 80 N MET A 9 5.314 -4.250 -4.075 1.00 0.00 N ATOM 81 CA MET A 9 5.197 -2.839 -4.425 1.00 0.00 C ATOM 82 C MET A 9 3.830 -2.542 -5.035 1.00 0.00 C ATOM 83 O MET A 9 3.281 -3.355 -5.778 1.00 0.00 O ATOM 84 CB MET A 9 6.303 -2.440 -5.404 1.00 0.00 C ATOM 85 CG MET A 9 7.667 -2.290 -4.751 1.00 0.00 C ATOM 86 SD MET A 9 7.998 -0.601 -4.214 1.00 0.00 S ATOM 87 CE MET A 9 6.402 -0.141 -3.543 1.00 0.00 C ATOM 0 H MET A 9 5.356 -4.881 -4.875 1.00 0.00 H new ATOM 0 HA MET A 9 5.303 -2.254 -3.511 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.367 -3.190 -6.192 1.00 0.00 H new ATOM 0 HB3 MET A 9 6.032 -1.498 -5.881 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.730 -2.959 -3.893 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.439 -2.601 -5.455 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.430 0.899 -3.218 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.637 -0.261 -4.310 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.167 -0.781 -2.693 1.00 0.00 H new ATOM 97 N PHE A 10 3.287 -1.372 -4.715 1.00 0.00 N ATOM 98 CA PHE A 10 1.984 -0.968 -5.231 1.00 0.00 C ATOM 99 C PHE A 10 1.865 0.553 -5.276 1.00 0.00 C ATOM 100 O PHE A 10 2.340 1.251 -4.381 1.00 0.00 O ATOM 101 CB PHE A 10 0.866 -1.553 -4.365 1.00 0.00 C ATOM 102 CG PHE A 10 0.617 -3.013 -4.614 1.00 0.00 C ATOM 103 CD1 PHE A 10 1.386 -3.978 -3.983 1.00 0.00 C ATOM 104 CD2 PHE A 10 -0.386 -3.421 -5.478 1.00 0.00 C ATOM 105 CE1 PHE A 10 1.159 -5.322 -4.210 1.00 0.00 C ATOM 106 CE2 PHE A 10 -0.618 -4.764 -5.709 1.00 0.00 C ATOM 107 CZ PHE A 10 0.155 -5.715 -5.074 1.00 0.00 C ATOM 0 H PHE A 10 3.729 -0.687 -4.101 1.00 0.00 H new ATOM 0 HA PHE A 10 1.887 -1.353 -6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.118 -1.410 -3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.054 -0.999 -4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.172 -3.676 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.994 -2.681 -5.977 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.766 -6.064 -3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.403 -5.069 -6.385 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.025 -6.765 -5.252 1.00 0.00 H new ATOM 117 N VAL A 11 1.226 1.059 -6.327 1.00 0.00 N ATOM 118 CA VAL A 11 1.043 2.496 -6.491 1.00 0.00 C ATOM 119 C VAL A 11 -0.406 2.897 -6.242 1.00 0.00 C ATOM 120 O VAL A 11 -1.290 2.045 -6.152 1.00 0.00 O ATOM 121 CB VAL A 11 1.458 2.958 -7.900 1.00 0.00 C ATOM 122 CG1 VAL A 11 1.557 4.475 -7.958 1.00 0.00 C ATOM 123 CG2 VAL A 11 2.776 2.314 -8.305 1.00 0.00 C ATOM 0 H VAL A 11 0.827 0.495 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 11 1.683 2.983 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 11 0.692 2.641 -8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.851 4.782 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.589 4.912 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.302 4.819 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.054 2.652 -9.303 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.553 2.599 -7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.666 1.230 -8.306 1.00 0.00 H new ATOM 133 N ALA A 12 -0.644 4.200 -6.134 1.00 0.00 N ATOM 134 CA ALA A 12 -1.987 4.715 -5.899 1.00 0.00 C ATOM 135 C ALA A 12 -2.609 5.235 -7.190 1.00 0.00 C ATOM 136 O ALA A 12 -3.553 4.645 -7.717 1.00 0.00 O ATOM 137 CB ALA A 12 -1.954 5.814 -4.847 1.00 0.00 C ATOM 0 H ALA A 12 0.076 4.918 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.605 3.895 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.964 6.190 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.559 5.413 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.316 6.628 -5.191 1.00 0.00 H new ATOM 143 N LEU A 13 -2.076 6.342 -7.695 1.00 0.00 N ATOM 144 CA LEU A 13 -2.580 6.942 -8.925 1.00 0.00 C ATOM 145 C LEU A 13 -3.913 7.643 -8.683 1.00 0.00 C ATOM 146 O LEU A 13 -4.730 7.779 -9.594 1.00 0.00 O ATOM 147 CB LEU A 13 -2.743 5.873 -10.007 1.00 0.00 C ATOM 148 CG LEU A 13 -1.663 4.791 -10.050 1.00 0.00 C ATOM 149 CD1 LEU A 13 -1.968 3.776 -11.140 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.292 5.415 -10.267 1.00 0.00 C ATOM 0 H LEU A 13 -1.295 6.842 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.856 7.684 -9.261 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.709 5.388 -9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.772 6.368 -10.978 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.656 4.272 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.189 3.014 -11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.931 3.306 -10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.003 4.279 -12.106 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.464 4.631 -10.295 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.285 5.959 -11.211 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.072 6.103 -9.450 1.00 0.00 H new ATOM 162 N HIS A 14 -4.126 8.089 -7.449 1.00 0.00 N ATOM 163 CA HIS A 14 -5.359 8.779 -7.087 1.00 0.00 C ATOM 164 C HIS A 14 -5.225 9.451 -5.724 1.00 0.00 C ATOM 165 O HIS A 14 -4.516 8.961 -4.844 1.00 0.00 O ATOM 166 CB HIS A 14 -6.532 7.799 -7.073 1.00 0.00 C ATOM 167 CG HIS A 14 -7.106 7.533 -8.430 1.00 0.00 C ATOM 168 ND1 HIS A 14 -7.406 8.534 -9.330 1.00 0.00 N ATOM 169 CD2 HIS A 14 -7.435 6.370 -9.040 1.00 0.00 C ATOM 170 CE1 HIS A 14 -7.896 7.999 -10.434 1.00 0.00 C ATOM 171 NE2 HIS A 14 -7.923 6.687 -10.284 1.00 0.00 N ATOM 0 H HIS A 14 -3.461 7.985 -6.683 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.548 9.549 -7.835 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.202 6.857 -6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.316 8.193 -6.427 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.333 5.378 -8.626 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.219 8.542 -11.310 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.253 6.018 -10.979 1.00 0.00 H new ATOM 180 N THR A 15 -5.911 10.577 -5.554 1.00 0.00 N ATOM 181 CA THR A 15 -5.868 11.317 -4.299 1.00 0.00 C ATOM 182 C THR A 15 -7.050 10.956 -3.407 1.00 0.00 C ATOM 183 O THR A 15 -8.164 11.437 -3.611 1.00 0.00 O ATOM 184 CB THR A 15 -5.870 12.838 -4.544 1.00 0.00 C ATOM 185 OG1 THR A 15 -4.933 13.170 -5.575 1.00 0.00 O ATOM 186 CG2 THR A 15 -5.517 13.591 -3.270 1.00 0.00 C ATOM 0 H THR A 15 -6.503 10.997 -6.270 1.00 0.00 H new ATOM 0 HA THR A 15 -4.941 11.038 -3.799 1.00 0.00 H new ATOM 0 HB THR A 15 -6.872 13.132 -4.856 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.942 14.138 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.525 14.663 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.248 13.359 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.525 13.291 -2.933 1.00 0.00 H new ATOM 194 N TYR A 16 -6.799 10.106 -2.417 1.00 0.00 N ATOM 195 CA TYR A 16 -7.844 9.679 -1.494 1.00 0.00 C ATOM 196 C TYR A 16 -7.564 10.186 -0.082 1.00 0.00 C ATOM 197 O TYR A 16 -6.587 9.785 0.550 1.00 0.00 O ATOM 198 CB TYR A 16 -7.956 8.154 -1.488 1.00 0.00 C ATOM 199 CG TYR A 16 -9.113 7.635 -0.664 1.00 0.00 C ATOM 200 CD1 TYR A 16 -8.971 7.400 0.698 1.00 0.00 C ATOM 201 CD2 TYR A 16 -10.348 7.381 -1.248 1.00 0.00 C ATOM 202 CE1 TYR A 16 -10.025 6.925 1.454 1.00 0.00 C ATOM 203 CE2 TYR A 16 -11.408 6.907 -0.499 1.00 0.00 C ATOM 204 CZ TYR A 16 -11.242 6.680 0.851 1.00 0.00 C ATOM 205 OH TYR A 16 -12.295 6.209 1.601 1.00 0.00 O ATOM 0 H TYR A 16 -5.882 9.699 -2.233 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.789 10.104 -1.832 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.065 7.802 -2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.028 7.731 -1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.021 7.592 1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.482 7.557 -2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.897 6.746 2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.362 6.715 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.079 6.090 1.026 1.00 0.00 H new ATOM 215 N SER A 17 -8.430 11.069 0.406 1.00 0.00 N ATOM 216 CA SER A 17 -8.275 11.633 1.741 1.00 0.00 C ATOM 217 C SER A 17 -9.005 10.784 2.778 1.00 0.00 C ATOM 218 O SER A 17 -10.219 10.900 2.947 1.00 0.00 O ATOM 219 CB SER A 17 -8.805 13.068 1.776 1.00 0.00 C ATOM 220 OG SER A 17 -8.303 13.823 0.687 1.00 0.00 O ATOM 0 H SER A 17 -9.246 11.409 -0.103 1.00 0.00 H new ATOM 0 HA SER A 17 -7.213 11.639 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.894 13.058 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.518 13.542 2.715 1.00 0.00 H new ATOM 0 HG SER A 17 -8.657 14.736 0.731 1.00 0.00 H new ATOM 226 N ALA A 18 -8.256 9.931 3.468 1.00 0.00 N ATOM 227 CA ALA A 18 -8.830 9.063 4.489 1.00 0.00 C ATOM 228 C ALA A 18 -9.896 9.796 5.296 1.00 0.00 C ATOM 229 O ALA A 18 -9.668 10.904 5.783 1.00 0.00 O ATOM 230 CB ALA A 18 -7.739 8.537 5.409 1.00 0.00 C ATOM 0 H ALA A 18 -7.250 9.822 3.339 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.306 8.220 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.182 7.890 6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.014 7.969 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.238 9.374 5.895 1.00 0.00 H new ATOM 236 N HIS A 19 -11.062 9.172 5.433 1.00 0.00 N ATOM 237 CA HIS A 19 -12.164 9.766 6.182 1.00 0.00 C ATOM 238 C HIS A 19 -12.398 9.016 7.490 1.00 0.00 C ATOM 239 O HIS A 19 -13.049 9.528 8.401 1.00 0.00 O ATOM 240 CB HIS A 19 -13.441 9.759 5.341 1.00 0.00 C ATOM 241 CG HIS A 19 -13.319 10.527 4.061 1.00 0.00 C ATOM 242 ND1 HIS A 19 -12.762 11.786 3.989 1.00 0.00 N ATOM 243 CD2 HIS A 19 -13.686 10.206 2.798 1.00 0.00 C ATOM 244 CE1 HIS A 19 -12.792 12.207 2.737 1.00 0.00 C ATOM 245 NE2 HIS A 19 -13.347 11.267 1.994 1.00 0.00 N ATOM 0 H HIS A 19 -11.268 8.256 5.035 1.00 0.00 H new ATOM 0 HA HIS A 19 -11.898 10.797 6.417 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -13.710 8.728 5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.257 10.178 5.930 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -14.157 9.287 2.482 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.425 13.158 2.382 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -13.499 11.320 0.987 1.00 0.00 H new ATOM 254 N ARG A 20 -11.864 7.803 7.575 1.00 0.00 N ATOM 255 CA ARG A 20 -12.016 6.982 8.771 1.00 0.00 C ATOM 256 C ARG A 20 -10.656 6.562 9.319 1.00 0.00 C ATOM 257 O ARG A 20 -9.640 6.603 8.625 1.00 0.00 O ATOM 258 CB ARG A 20 -12.859 5.744 8.462 1.00 0.00 C ATOM 259 CG ARG A 20 -14.350 5.952 8.674 1.00 0.00 C ATOM 260 CD ARG A 20 -15.006 6.569 7.449 1.00 0.00 C ATOM 261 NE ARG A 20 -16.429 6.251 7.372 1.00 0.00 N ATOM 262 CZ ARG A 20 -17.266 6.824 6.514 1.00 0.00 C ATOM 263 NH1 ARG A 20 -16.823 7.740 5.664 1.00 0.00 N ATOM 264 NH2 ARG A 20 -18.547 6.481 6.505 1.00 0.00 N ATOM 0 H ARG A 20 -11.322 7.366 6.830 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.524 7.579 9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.686 5.446 7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.523 4.920 9.091 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.823 4.996 8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.509 6.598 9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.877 7.651 7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.505 6.210 6.550 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.801 5.550 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.838 8.006 5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.467 8.179 5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.891 5.776 7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.188 6.922 5.846 1.00 0.00 H new ATOM 278 N PRO A 21 -10.634 6.147 10.594 1.00 0.00 N ATOM 279 CA PRO A 21 -9.405 5.710 11.264 1.00 0.00 C ATOM 280 C PRO A 21 -8.889 4.382 10.720 1.00 0.00 C ATOM 281 O PRO A 21 -7.878 3.861 11.189 1.00 0.00 O ATOM 282 CB PRO A 21 -9.832 5.560 12.726 1.00 0.00 C ATOM 283 CG PRO A 21 -11.298 5.302 12.668 1.00 0.00 C ATOM 284 CD PRO A 21 -11.808 6.071 11.481 1.00 0.00 C ATOM 0 HA PRO A 21 -8.587 6.415 11.115 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.304 4.738 13.210 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.611 6.461 13.297 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.503 4.237 12.560 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.788 5.629 13.585 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.643 5.561 11.000 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.161 7.062 11.766 1.00 0.00 H new ATOM 292 N GLU A 22 -9.591 3.841 9.730 1.00 0.00 N ATOM 293 CA GLU A 22 -9.202 2.573 9.123 1.00 0.00 C ATOM 294 C GLU A 22 -8.795 2.769 7.666 1.00 0.00 C ATOM 295 O GLU A 22 -8.032 1.978 7.113 1.00 0.00 O ATOM 296 CB GLU A 22 -10.351 1.566 9.213 1.00 0.00 C ATOM 297 CG GLU A 22 -11.539 1.919 8.333 1.00 0.00 C ATOM 298 CD GLU A 22 -12.756 1.063 8.626 1.00 0.00 C ATOM 299 OE1 GLU A 22 -12.653 -0.176 8.511 1.00 0.00 O ATOM 300 OE2 GLU A 22 -13.813 1.633 8.971 1.00 0.00 O ATOM 0 H GLU A 22 -10.431 4.260 9.331 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.344 2.185 9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.982 0.580 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.684 1.499 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.794 2.969 8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.259 1.800 7.286 1.00 0.00 H new ATOM 307 N GLU A 23 -9.312 3.828 7.051 1.00 0.00 N ATOM 308 CA GLU A 23 -9.003 4.127 5.657 1.00 0.00 C ATOM 309 C GLU A 23 -7.583 4.670 5.519 1.00 0.00 C ATOM 310 O GLU A 23 -7.071 5.336 6.419 1.00 0.00 O ATOM 311 CB GLU A 23 -10.004 5.138 5.095 1.00 0.00 C ATOM 312 CG GLU A 23 -11.429 4.614 5.035 1.00 0.00 C ATOM 313 CD GLU A 23 -12.442 5.709 4.761 1.00 0.00 C ATOM 314 OE1 GLU A 23 -12.255 6.832 5.274 1.00 0.00 O ATOM 315 OE2 GLU A 23 -13.422 5.442 4.034 1.00 0.00 O ATOM 0 H GLU A 23 -9.946 4.492 7.495 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.076 3.200 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.982 6.038 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.690 5.429 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.501 3.855 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.673 4.126 5.979 1.00 0.00 H new ATOM 322 N LEU A 24 -6.954 4.380 4.386 1.00 0.00 N ATOM 323 CA LEU A 24 -5.593 4.838 4.128 1.00 0.00 C ATOM 324 C LEU A 24 -5.576 5.914 3.047 1.00 0.00 C ATOM 325 O LEU A 24 -6.139 5.732 1.968 1.00 0.00 O ATOM 326 CB LEU A 24 -4.709 3.662 3.707 1.00 0.00 C ATOM 327 CG LEU A 24 -3.230 3.767 4.080 1.00 0.00 C ATOM 328 CD1 LEU A 24 -2.443 2.617 3.471 1.00 0.00 C ATOM 329 CD2 LEU A 24 -2.660 5.104 3.630 1.00 0.00 C ATOM 0 H LEU A 24 -7.364 3.830 3.631 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.200 5.268 5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.112 2.753 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.783 3.547 2.626 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.143 3.705 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.393 2.708 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.835 1.670 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.537 2.647 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.607 5.161 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.759 5.196 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.205 5.914 4.115 1.00 0.00 H new ATOM 341 N ASP A 25 -4.924 7.032 3.344 1.00 0.00 N ATOM 342 CA ASP A 25 -4.830 8.137 2.396 1.00 0.00 C ATOM 343 C ASP A 25 -3.950 7.761 1.208 1.00 0.00 C ATOM 344 O ASP A 25 -2.913 7.115 1.370 1.00 0.00 O ATOM 345 CB ASP A 25 -4.272 9.383 3.086 1.00 0.00 C ATOM 346 CG ASP A 25 -3.490 10.269 2.136 1.00 0.00 C ATOM 347 OD1 ASP A 25 -2.279 10.023 1.956 1.00 0.00 O ATOM 348 OD2 ASP A 25 -4.090 11.208 1.572 1.00 0.00 O ATOM 0 H ASP A 25 -4.453 7.198 4.233 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.833 8.353 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.094 9.954 3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.626 9.080 3.910 1.00 0.00 H new ATOM 353 N LEU A 26 -4.370 8.167 0.015 1.00 0.00 N ATOM 354 CA LEU A 26 -3.621 7.871 -1.201 1.00 0.00 C ATOM 355 C LEU A 26 -3.265 9.154 -1.946 1.00 0.00 C ATOM 356 O LEU A 26 -4.021 10.125 -1.925 1.00 0.00 O ATOM 357 CB LEU A 26 -4.431 6.947 -2.112 1.00 0.00 C ATOM 358 CG LEU A 26 -5.162 5.796 -1.420 1.00 0.00 C ATOM 359 CD1 LEU A 26 -6.014 5.028 -2.419 1.00 0.00 C ATOM 360 CD2 LEU A 26 -4.169 4.867 -0.737 1.00 0.00 C ATOM 0 H LEU A 26 -5.225 8.702 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.697 7.369 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.166 7.549 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.759 6.527 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.820 6.214 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.527 4.213 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.750 5.699 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.376 4.621 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.707 4.054 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.485 4.456 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.602 5.425 0.008 1.00 0.00 H new ATOM 372 N GLN A 27 -2.110 9.148 -2.605 1.00 0.00 N ATOM 373 CA GLN A 27 -1.655 10.311 -3.358 1.00 0.00 C ATOM 374 C GLN A 27 -1.236 9.915 -4.770 1.00 0.00 C ATOM 375 O GLN A 27 -0.297 9.142 -4.956 1.00 0.00 O ATOM 376 CB GLN A 27 -0.488 10.987 -2.637 1.00 0.00 C ATOM 377 CG GLN A 27 -0.846 11.505 -1.253 1.00 0.00 C ATOM 378 CD GLN A 27 0.250 12.363 -0.651 1.00 0.00 C ATOM 379 OE1 GLN A 27 1.214 12.724 -1.326 1.00 0.00 O ATOM 380 NE2 GLN A 27 0.106 12.694 0.627 1.00 0.00 N ATOM 0 H GLN A 27 -1.473 8.352 -2.633 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.485 11.014 -3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.334 10.277 -2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.128 11.817 -3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.766 12.086 -1.313 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.045 10.661 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.710 12.372 1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.811 13.270 1.087 1.00 0.00 H new ATOM 389 N LYS A 28 -1.939 10.451 -5.763 1.00 0.00 N ATOM 390 CA LYS A 28 -1.640 10.155 -7.159 1.00 0.00 C ATOM 391 C LYS A 28 -0.134 10.155 -7.404 1.00 0.00 C ATOM 392 O LYS A 28 0.488 11.211 -7.506 1.00 0.00 O ATOM 393 CB LYS A 28 -2.316 11.178 -8.074 1.00 0.00 C ATOM 394 CG LYS A 28 -2.681 10.624 -9.440 1.00 0.00 C ATOM 395 CD LYS A 28 -2.743 11.721 -10.489 1.00 0.00 C ATOM 396 CE LYS A 28 -3.070 11.160 -11.865 1.00 0.00 C ATOM 397 NZ LYS A 28 -4.512 10.812 -11.993 1.00 0.00 N ATOM 0 H LYS A 28 -2.720 11.093 -5.626 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.028 9.162 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.219 11.547 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.652 12.032 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.947 9.876 -9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.645 10.119 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.498 12.455 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.788 12.245 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.804 11.891 -12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.464 10.273 -12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.695 10.433 -12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.761 10.095 -11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.089 11.664 -11.843 1.00 0.00 H new ATOM 411 N GLY A 29 0.445 8.962 -7.501 1.00 0.00 N ATOM 412 CA GLY A 29 1.872 8.847 -7.735 1.00 0.00 C ATOM 413 C GLY A 29 2.645 8.541 -6.468 1.00 0.00 C ATOM 414 O GLY A 29 3.742 9.060 -6.262 1.00 0.00 O ATOM 0 H GLY A 29 -0.049 8.073 -7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.055 8.060 -8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.242 9.777 -8.167 1.00 0.00 H new ATOM 418 N GLU A 30 2.072 7.696 -5.616 1.00 0.00 N ATOM 419 CA GLU A 30 2.715 7.325 -4.360 1.00 0.00 C ATOM 420 C GLU A 30 2.853 5.810 -4.248 1.00 0.00 C ATOM 421 O GLU A 30 2.099 5.059 -4.864 1.00 0.00 O ATOM 422 CB GLU A 30 1.914 7.864 -3.173 1.00 0.00 C ATOM 423 CG GLU A 30 0.674 7.047 -2.853 1.00 0.00 C ATOM 424 CD GLU A 30 0.133 7.327 -1.465 1.00 0.00 C ATOM 425 OE1 GLU A 30 0.388 8.431 -0.941 1.00 0.00 O ATOM 426 OE2 GLU A 30 -0.546 6.442 -0.902 1.00 0.00 O ATOM 0 H GLU A 30 1.165 7.256 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 30 3.712 7.766 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.558 7.891 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.617 8.892 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.099 7.263 -3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.910 5.986 -2.940 1.00 0.00 H new ATOM 433 N GLY A 31 3.825 5.367 -3.456 1.00 0.00 N ATOM 434 CA GLY A 31 4.047 3.944 -3.277 1.00 0.00 C ATOM 435 C GLY A 31 3.370 3.404 -2.033 1.00 0.00 C ATOM 436 O GLY A 31 3.156 4.137 -1.067 1.00 0.00 O ATOM 0 H GLY A 31 4.463 5.969 -2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.675 3.409 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.118 3.751 -3.217 1.00 0.00 H new ATOM 440 N ILE A 32 3.032 2.119 -2.056 1.00 0.00 N ATOM 441 CA ILE A 32 2.375 1.483 -0.921 1.00 0.00 C ATOM 442 C ILE A 32 2.790 0.021 -0.795 1.00 0.00 C ATOM 443 O ILE A 32 2.961 -0.675 -1.796 1.00 0.00 O ATOM 444 CB ILE A 32 0.841 1.560 -1.042 1.00 0.00 C ATOM 445 CG1 ILE A 32 0.386 3.020 -1.105 1.00 0.00 C ATOM 446 CG2 ILE A 32 0.181 0.844 0.126 1.00 0.00 C ATOM 447 CD1 ILE A 32 -1.031 3.190 -1.606 1.00 0.00 C ATOM 0 H ILE A 32 3.202 1.499 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 32 2.689 2.026 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 32 0.538 1.064 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.467 3.460 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.062 3.575 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.903 0.907 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.485 -0.203 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.487 1.314 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.286 4.250 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.113 2.780 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.717 2.663 -0.943 1.00 0.00 H new ATOM 459 N ARG A 33 2.948 -0.439 0.442 1.00 0.00 N ATOM 460 CA ARG A 33 3.343 -1.819 0.700 1.00 0.00 C ATOM 461 C ARG A 33 2.162 -2.634 1.218 1.00 0.00 C ATOM 462 O ARG A 33 1.809 -2.556 2.395 1.00 0.00 O ATOM 463 CB ARG A 33 4.490 -1.863 1.710 1.00 0.00 C ATOM 464 CG ARG A 33 5.393 -3.076 1.554 1.00 0.00 C ATOM 465 CD ARG A 33 6.500 -3.085 2.597 1.00 0.00 C ATOM 466 NE ARG A 33 7.493 -4.122 2.331 1.00 0.00 N ATOM 467 CZ ARG A 33 8.321 -4.098 1.292 1.00 0.00 C ATOM 468 NH1 ARG A 33 8.274 -3.096 0.426 1.00 0.00 N ATOM 469 NH2 ARG A 33 9.197 -5.079 1.119 1.00 0.00 N ATOM 0 H ARG A 33 2.809 0.124 1.281 1.00 0.00 H new ATOM 0 HA ARG A 33 3.680 -2.257 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.089 -0.959 1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.076 -1.856 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.800 -3.986 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.832 -3.078 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.989 -2.111 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.067 -3.243 3.585 1.00 0.00 H new ATOM 0 HE ARG A 33 7.554 -4.908 2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.601 -2.341 0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.911 -3.080 -0.371 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.235 -5.852 1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.833 -5.060 0.321 1.00 0.00 H new ATOM 483 N VAL A 34 1.554 -3.415 0.331 1.00 0.00 N ATOM 484 CA VAL A 34 0.413 -4.246 0.699 1.00 0.00 C ATOM 485 C VAL A 34 0.810 -5.304 1.722 1.00 0.00 C ATOM 486 O VAL A 34 1.684 -6.134 1.466 1.00 0.00 O ATOM 487 CB VAL A 34 -0.196 -4.941 -0.533 1.00 0.00 C ATOM 488 CG1 VAL A 34 -1.073 -6.109 -0.108 1.00 0.00 C ATOM 489 CG2 VAL A 34 -0.986 -3.946 -1.370 1.00 0.00 C ATOM 0 H VAL A 34 1.832 -3.490 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.332 -3.583 1.138 1.00 0.00 H new ATOM 0 HB VAL A 34 0.616 -5.332 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.495 -6.588 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.473 -6.832 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.880 -5.745 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.409 -4.454 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.791 -3.523 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.325 -3.147 -1.705 1.00 0.00 H new ATOM 499 N LEU A 35 0.164 -5.270 2.882 1.00 0.00 N ATOM 500 CA LEU A 35 0.449 -6.227 3.945 1.00 0.00 C ATOM 501 C LEU A 35 -0.637 -7.296 4.021 1.00 0.00 C ATOM 502 O LEU A 35 -0.406 -8.456 3.683 1.00 0.00 O ATOM 503 CB LEU A 35 0.566 -5.507 5.289 1.00 0.00 C ATOM 504 CG LEU A 35 1.137 -4.089 5.243 1.00 0.00 C ATOM 505 CD1 LEU A 35 0.548 -3.240 6.358 1.00 0.00 C ATOM 506 CD2 LEU A 35 2.655 -4.121 5.339 1.00 0.00 C ATOM 0 H LEU A 35 -0.561 -4.590 3.110 1.00 0.00 H new ATOM 0 HA LEU A 35 1.397 -6.714 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.424 -5.464 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.193 -6.108 5.947 1.00 0.00 H new ATOM 0 HG LEU A 35 0.863 -3.639 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.966 -2.235 6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.535 -3.189 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.790 -3.687 7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.043 -3.103 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.950 -4.591 6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.060 -4.692 4.504 1.00 0.00 H new ATOM 518 N GLY A 36 -1.825 -6.895 4.467 1.00 0.00 N ATOM 519 CA GLY A 36 -2.929 -7.829 4.577 1.00 0.00 C ATOM 520 C GLY A 36 -3.960 -7.641 3.482 1.00 0.00 C ATOM 521 O GLY A 36 -3.883 -6.691 2.703 1.00 0.00 O ATOM 0 H GLY A 36 -2.041 -5.940 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.544 -8.848 4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.409 -7.707 5.548 1.00 0.00 H new ATOM 525 N LYS A 37 -4.927 -8.550 3.419 1.00 0.00 N ATOM 526 CA LYS A 37 -5.978 -8.481 2.411 1.00 0.00 C ATOM 527 C LYS A 37 -7.355 -8.418 3.064 1.00 0.00 C ATOM 528 O LYS A 37 -7.846 -9.412 3.599 1.00 0.00 O ATOM 529 CB LYS A 37 -5.899 -9.692 1.479 1.00 0.00 C ATOM 530 CG LYS A 37 -6.947 -9.682 0.379 1.00 0.00 C ATOM 531 CD LYS A 37 -6.959 -10.992 -0.391 1.00 0.00 C ATOM 532 CE LYS A 37 -8.186 -11.103 -1.284 1.00 0.00 C ATOM 533 NZ LYS A 37 -9.438 -11.236 -0.490 1.00 0.00 N ATOM 0 H LYS A 37 -5.005 -9.344 4.055 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.829 -7.572 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.908 -9.727 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.012 -10.602 2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.931 -9.505 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.749 -8.858 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.057 -11.066 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.941 -11.827 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.252 -10.222 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.080 -11.965 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.030 -11.987 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.201 -11.479 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.958 -10.336 -0.509 1.00 0.00 H new ATOM 547 N TYR A 38 -7.975 -7.244 3.015 1.00 0.00 N ATOM 548 CA TYR A 38 -9.295 -7.051 3.603 1.00 0.00 C ATOM 549 C TYR A 38 -10.324 -7.962 2.940 1.00 0.00 C ATOM 550 O TYR A 38 -10.853 -8.878 3.569 1.00 0.00 O ATOM 551 CB TYR A 38 -9.728 -5.590 3.468 1.00 0.00 C ATOM 552 CG TYR A 38 -10.698 -5.145 4.540 1.00 0.00 C ATOM 553 CD1 TYR A 38 -10.366 -5.236 5.886 1.00 0.00 C ATOM 554 CD2 TYR A 38 -11.946 -4.634 4.206 1.00 0.00 C ATOM 555 CE1 TYR A 38 -11.248 -4.831 6.868 1.00 0.00 C ATOM 556 CE2 TYR A 38 -12.834 -4.225 5.182 1.00 0.00 C ATOM 557 CZ TYR A 38 -12.481 -4.326 6.512 1.00 0.00 C ATOM 558 OH TYR A 38 -13.364 -3.921 7.487 1.00 0.00 O ATOM 0 H TYR A 38 -7.584 -6.411 2.574 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.236 -7.309 4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.844 -4.953 3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.188 -5.445 2.490 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.401 -5.630 6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.227 -4.555 3.166 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.974 -4.909 7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.800 -3.828 4.905 1.00 0.00 H new ATOM 0 HH TYR A 38 -14.185 -3.590 7.067 1.00 0.00 H new ATOM 568 N GLN A 39 -10.602 -7.702 1.667 1.00 0.00 N ATOM 569 CA GLN A 39 -11.568 -8.497 0.918 1.00 0.00 C ATOM 570 C GLN A 39 -11.547 -8.127 -0.561 1.00 0.00 C ATOM 571 O GLN A 39 -10.843 -7.205 -0.971 1.00 0.00 O ATOM 572 CB GLN A 39 -12.974 -8.298 1.486 1.00 0.00 C ATOM 573 CG GLN A 39 -13.453 -6.856 1.433 1.00 0.00 C ATOM 574 CD GLN A 39 -14.932 -6.721 1.741 1.00 0.00 C ATOM 575 OE1 GLN A 39 -15.314 -6.321 2.841 1.00 0.00 O ATOM 576 NE2 GLN A 39 -15.772 -7.054 0.768 1.00 0.00 N ATOM 0 H GLN A 39 -10.172 -6.947 1.132 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.290 -9.547 1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.673 -8.925 0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.991 -8.640 2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.882 -6.261 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.253 -6.447 0.443 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.411 -7.381 -0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.779 -6.983 0.917 1.00 0.00 H new ATOM 585 N ASP A 40 -12.324 -8.853 -1.358 1.00 0.00 N ATOM 586 CA ASP A 40 -12.396 -8.601 -2.793 1.00 0.00 C ATOM 587 C ASP A 40 -12.731 -7.139 -3.072 1.00 0.00 C ATOM 588 O ASP A 40 -13.883 -6.724 -2.960 1.00 0.00 O ATOM 589 CB ASP A 40 -13.442 -9.510 -3.440 1.00 0.00 C ATOM 590 CG ASP A 40 -12.879 -10.867 -3.814 1.00 0.00 C ATOM 591 OD1 ASP A 40 -12.167 -11.464 -2.979 1.00 0.00 O ATOM 592 OD2 ASP A 40 -13.148 -11.331 -4.942 1.00 0.00 O ATOM 0 H ASP A 40 -12.913 -9.621 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.419 -8.820 -3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.278 -9.644 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.838 -9.026 -4.333 1.00 0.00 H new ATOM 597 N GLY A 41 -11.714 -6.363 -3.434 1.00 0.00 N ATOM 598 CA GLY A 41 -11.921 -4.955 -3.721 1.00 0.00 C ATOM 599 C GLY A 41 -11.202 -4.051 -2.740 1.00 0.00 C ATOM 600 O GLY A 41 -10.886 -2.905 -3.059 1.00 0.00 O ATOM 0 H GLY A 41 -10.751 -6.684 -3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.574 -4.739 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.988 -4.736 -3.697 1.00 0.00 H new ATOM 604 N TRP A 42 -10.945 -4.566 -1.543 1.00 0.00 N ATOM 605 CA TRP A 42 -10.260 -3.796 -0.511 1.00 0.00 C ATOM 606 C TRP A 42 -9.037 -4.545 0.005 1.00 0.00 C ATOM 607 O TRP A 42 -9.096 -5.747 0.265 1.00 0.00 O ATOM 608 CB TRP A 42 -11.214 -3.492 0.645 1.00 0.00 C ATOM 609 CG TRP A 42 -12.336 -2.575 0.265 1.00 0.00 C ATOM 610 CD1 TRP A 42 -13.590 -2.937 -0.138 1.00 0.00 C ATOM 611 CD2 TRP A 42 -12.305 -1.144 0.249 1.00 0.00 C ATOM 612 NE1 TRP A 42 -14.340 -1.816 -0.402 1.00 0.00 N ATOM 613 CE2 TRP A 42 -13.575 -0.704 -0.172 1.00 0.00 C ATOM 614 CE3 TRP A 42 -11.329 -0.191 0.552 1.00 0.00 C ATOM 615 CZ2 TRP A 42 -13.891 0.646 -0.298 1.00 0.00 C ATOM 616 CZ3 TRP A 42 -11.644 1.149 0.426 1.00 0.00 C ATOM 617 CH2 TRP A 42 -12.916 1.557 0.004 1.00 0.00 C ATOM 0 H TRP A 42 -11.200 -5.513 -1.263 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.927 -2.857 -0.954 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.630 -4.428 1.019 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.650 -3.044 1.464 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -13.940 -3.954 -0.235 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -15.310 -1.813 -0.718 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.346 -0.496 0.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.871 0.963 -0.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.897 1.894 0.657 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.131 2.612 -0.085 1.00 0.00 H new ATOM 628 N LEU A 43 -7.928 -3.828 0.153 1.00 0.00 N ATOM 629 CA LEU A 43 -6.689 -4.425 0.640 1.00 0.00 C ATOM 630 C LEU A 43 -6.044 -3.548 1.708 1.00 0.00 C ATOM 631 O LEU A 43 -6.262 -2.336 1.746 1.00 0.00 O ATOM 632 CB LEU A 43 -5.714 -4.639 -0.519 1.00 0.00 C ATOM 633 CG LEU A 43 -6.319 -5.178 -1.815 1.00 0.00 C ATOM 634 CD1 LEU A 43 -5.370 -4.952 -2.982 1.00 0.00 C ATOM 635 CD2 LEU A 43 -6.652 -6.656 -1.675 1.00 0.00 C ATOM 0 H LEU A 43 -7.862 -2.832 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.930 -5.389 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.226 -3.689 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.936 -5.329 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.243 -4.635 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.818 -5.342 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.182 -3.884 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.429 -5.467 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.082 -7.022 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.743 -7.214 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.370 -6.792 -0.866 1.00 0.00 H new ATOM 647 N LYS A 44 -5.247 -4.166 2.572 1.00 0.00 N ATOM 648 CA LYS A 44 -4.566 -3.442 3.639 1.00 0.00 C ATOM 649 C LYS A 44 -3.082 -3.279 3.325 1.00 0.00 C ATOM 650 O LYS A 44 -2.388 -4.254 3.041 1.00 0.00 O ATOM 651 CB LYS A 44 -4.739 -4.175 4.972 1.00 0.00 C ATOM 652 CG LYS A 44 -3.860 -3.630 6.084 1.00 0.00 C ATOM 653 CD LYS A 44 -4.315 -4.123 7.447 1.00 0.00 C ATOM 654 CE LYS A 44 -3.965 -3.130 8.544 1.00 0.00 C ATOM 655 NZ LYS A 44 -4.248 -3.679 9.900 1.00 0.00 N ATOM 0 H LYS A 44 -5.056 -5.168 2.554 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.014 -2.451 3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.783 -4.110 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.515 -5.232 4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.827 -3.932 5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.881 -2.540 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.392 -4.288 7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.848 -5.084 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.910 -2.866 8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.534 -2.212 8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.996 -2.972 10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.260 -3.907 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.686 -4.541 10.050 1.00 0.00 H new ATOM 669 N GLY A 45 -2.603 -2.041 3.380 1.00 0.00 N ATOM 670 CA GLY A 45 -1.204 -1.774 3.100 1.00 0.00 C ATOM 671 C GLY A 45 -0.702 -0.523 3.794 1.00 0.00 C ATOM 672 O GLY A 45 -1.494 0.302 4.253 1.00 0.00 O ATOM 0 H GLY A 45 -3.158 -1.218 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.604 -2.627 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.066 -1.669 2.024 1.00 0.00 H new ATOM 676 N LEU A 46 0.616 -0.381 3.874 1.00 0.00 N ATOM 677 CA LEU A 46 1.223 0.778 4.520 1.00 0.00 C ATOM 678 C LEU A 46 1.863 1.702 3.489 1.00 0.00 C ATOM 679 O LEU A 46 2.851 1.344 2.847 1.00 0.00 O ATOM 680 CB LEU A 46 2.272 0.328 5.538 1.00 0.00 C ATOM 681 CG LEU A 46 3.194 1.421 6.079 1.00 0.00 C ATOM 682 CD1 LEU A 46 4.301 1.727 5.082 1.00 0.00 C ATOM 683 CD2 LEU A 46 2.400 2.678 6.400 1.00 0.00 C ATOM 0 H LEU A 46 1.285 -1.054 3.500 1.00 0.00 H new ATOM 0 HA LEU A 46 0.437 1.328 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.757 -0.135 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.888 -0.444 5.078 1.00 0.00 H new ATOM 0 HG LEU A 46 3.652 1.060 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.947 2.507 5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.888 0.826 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.862 2.067 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.073 3.445 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.913 3.042 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.644 2.449 7.151 1.00 0.00 H new ATOM 695 N SER A 47 1.294 2.894 3.336 1.00 0.00 N ATOM 696 CA SER A 47 1.808 3.869 2.382 1.00 0.00 C ATOM 697 C SER A 47 3.264 4.209 2.683 1.00 0.00 C ATOM 698 O SER A 47 3.585 4.720 3.757 1.00 0.00 O ATOM 699 CB SER A 47 0.958 5.141 2.414 1.00 0.00 C ATOM 700 OG SER A 47 1.262 5.985 1.317 1.00 0.00 O ATOM 0 H SER A 47 0.477 3.207 3.861 1.00 0.00 H new ATOM 0 HA SER A 47 1.755 3.429 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.099 4.876 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.133 5.676 3.348 1.00 0.00 H new ATOM 0 HG SER A 47 0.517 5.976 0.681 1.00 0.00 H new ATOM 706 N LEU A 48 4.142 3.923 1.728 1.00 0.00 N ATOM 707 CA LEU A 48 5.565 4.198 1.890 1.00 0.00 C ATOM 708 C LEU A 48 5.860 5.681 1.689 1.00 0.00 C ATOM 709 O LEU A 48 6.994 6.129 1.862 1.00 0.00 O ATOM 710 CB LEU A 48 6.381 3.365 0.899 1.00 0.00 C ATOM 711 CG LEU A 48 6.059 1.871 0.852 1.00 0.00 C ATOM 712 CD1 LEU A 48 6.421 1.289 -0.505 1.00 0.00 C ATOM 713 CD2 LEU A 48 6.790 1.133 1.964 1.00 0.00 C ATOM 0 H LEU A 48 3.893 3.501 0.833 1.00 0.00 H new ATOM 0 HA LEU A 48 5.849 3.925 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.236 3.779 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.437 3.481 1.141 1.00 0.00 H new ATOM 0 HG LEU A 48 4.987 1.745 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.185 0.225 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.851 1.798 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.487 1.426 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.549 0.071 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.865 1.267 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.480 1.531 2.930 1.00 0.00 H new ATOM 725 N LEU A 49 4.831 6.439 1.325 1.00 0.00 N ATOM 726 CA LEU A 49 4.979 7.873 1.103 1.00 0.00 C ATOM 727 C LEU A 49 4.567 8.661 2.342 1.00 0.00 C ATOM 728 O LEU A 49 5.275 9.569 2.779 1.00 0.00 O ATOM 729 CB LEU A 49 4.138 8.312 -0.097 1.00 0.00 C ATOM 730 CG LEU A 49 4.041 9.820 -0.333 1.00 0.00 C ATOM 731 CD1 LEU A 49 3.870 10.118 -1.815 1.00 0.00 C ATOM 732 CD2 LEU A 49 2.892 10.413 0.468 1.00 0.00 C ATOM 0 H LEU A 49 3.886 6.085 1.178 1.00 0.00 H new ATOM 0 HA LEU A 49 6.030 8.078 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.551 7.850 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.129 7.918 0.028 1.00 0.00 H new ATOM 0 HG LEU A 49 4.969 10.282 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.803 11.196 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.726 9.728 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.958 9.644 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.839 11.487 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.956 9.946 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.057 10.231 1.530 1.00 0.00 H new ATOM 744 N THR A 50 3.416 8.307 2.907 1.00 0.00 N ATOM 745 CA THR A 50 2.910 8.980 4.097 1.00 0.00 C ATOM 746 C THR A 50 3.310 8.232 5.363 1.00 0.00 C ATOM 747 O THR A 50 3.673 8.843 6.368 1.00 0.00 O ATOM 748 CB THR A 50 1.376 9.115 4.056 1.00 0.00 C ATOM 749 OG1 THR A 50 0.792 7.911 3.545 1.00 0.00 O ATOM 750 CG2 THR A 50 0.959 10.294 3.190 1.00 0.00 C ATOM 0 H THR A 50 2.817 7.558 2.559 1.00 0.00 H new ATOM 0 HA THR A 50 3.354 9.975 4.111 1.00 0.00 H new ATOM 0 HB THR A 50 1.021 9.288 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.183 8.004 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.128 10.369 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.381 11.212 3.598 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.325 10.147 2.174 1.00 0.00 H new ATOM 758 N GLY A 51 3.242 6.906 5.308 1.00 0.00 N ATOM 759 CA GLY A 51 3.601 6.096 6.458 1.00 0.00 C ATOM 760 C GLY A 51 2.392 5.673 7.269 1.00 0.00 C ATOM 761 O GLY A 51 2.516 5.318 8.441 1.00 0.00 O ATOM 0 H GLY A 51 2.945 6.378 4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.137 5.209 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.284 6.658 7.095 1.00 0.00 H new ATOM 765 N ARG A 52 1.220 5.711 6.644 1.00 0.00 N ATOM 766 CA ARG A 52 -0.017 5.331 7.317 1.00 0.00 C ATOM 767 C ARG A 52 -0.521 3.984 6.807 1.00 0.00 C ATOM 768 O ARG A 52 -0.251 3.597 5.669 1.00 0.00 O ATOM 769 CB ARG A 52 -1.088 6.402 7.104 1.00 0.00 C ATOM 770 CG ARG A 52 -0.588 7.818 7.335 1.00 0.00 C ATOM 771 CD ARG A 52 -1.702 8.729 7.828 1.00 0.00 C ATOM 772 NE ARG A 52 -1.199 10.040 8.230 1.00 0.00 N ATOM 773 CZ ARG A 52 -1.964 10.990 8.757 1.00 0.00 C ATOM 774 NH1 ARG A 52 -3.258 10.775 8.945 1.00 0.00 N ATOM 775 NH2 ARG A 52 -1.433 12.157 9.097 1.00 0.00 N ATOM 0 H ARG A 52 1.101 6.001 5.673 1.00 0.00 H new ATOM 0 HA ARG A 52 0.191 5.242 8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.472 6.323 6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.924 6.207 7.776 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.222 7.805 8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.175 8.215 6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.445 8.852 7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.207 8.260 8.672 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.207 10.237 8.099 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.669 9.878 8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.843 11.506 9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.437 12.325 8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.020 12.886 9.502 1.00 0.00 H new ATOM 789 N THR A 53 -1.255 3.272 7.657 1.00 0.00 N ATOM 790 CA THR A 53 -1.795 1.968 7.294 1.00 0.00 C ATOM 791 C THR A 53 -3.318 1.969 7.349 1.00 0.00 C ATOM 792 O THR A 53 -3.912 2.335 8.363 1.00 0.00 O ATOM 793 CB THR A 53 -1.259 0.860 8.222 1.00 0.00 C ATOM 794 OG1 THR A 53 0.132 1.073 8.487 1.00 0.00 O ATOM 795 CG2 THR A 53 -1.457 -0.512 7.596 1.00 0.00 C ATOM 0 H THR A 53 -1.489 3.577 8.602 1.00 0.00 H new ATOM 0 HA THR A 53 -1.472 1.765 6.273 1.00 0.00 H new ATOM 0 HB THR A 53 -1.816 0.899 9.158 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.464 0.366 9.079 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.071 -1.278 8.269 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.519 -0.683 7.423 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.922 -0.560 6.647 1.00 0.00 H new ATOM 803 N GLY A 54 -3.946 1.556 6.252 1.00 0.00 N ATOM 804 CA GLY A 54 -5.395 1.517 6.198 1.00 0.00 C ATOM 805 C GLY A 54 -5.910 0.625 5.085 1.00 0.00 C ATOM 806 O GLY A 54 -5.145 -0.125 4.478 1.00 0.00 O ATOM 0 H GLY A 54 -3.477 1.248 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.782 1.161 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.778 2.528 6.056 1.00 0.00 H new ATOM 810 N ILE A 55 -7.209 0.705 4.817 1.00 0.00 N ATOM 811 CA ILE A 55 -7.824 -0.101 3.770 1.00 0.00 C ATOM 812 C ILE A 55 -8.116 0.737 2.531 1.00 0.00 C ATOM 813 O ILE A 55 -8.841 1.730 2.596 1.00 0.00 O ATOM 814 CB ILE A 55 -9.132 -0.752 4.256 1.00 0.00 C ATOM 815 CG1 ILE A 55 -10.020 0.288 4.944 1.00 0.00 C ATOM 816 CG2 ILE A 55 -8.831 -1.906 5.201 1.00 0.00 C ATOM 817 CD1 ILE A 55 -11.397 -0.230 5.295 1.00 0.00 C ATOM 0 H ILE A 55 -7.856 1.320 5.311 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.111 -0.885 3.515 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.667 -1.146 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.527 0.630 5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.122 1.155 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.766 -2.356 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.234 -2.655 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.278 -1.535 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.971 0.560 5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.910 -0.546 4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.305 -1.079 5.973 1.00 0.00 H new ATOM 829 N PHE A 56 -7.547 0.330 1.400 1.00 0.00 N ATOM 830 CA PHE A 56 -7.747 1.043 0.144 1.00 0.00 C ATOM 831 C PHE A 56 -8.290 0.107 -0.932 1.00 0.00 C ATOM 832 O PHE A 56 -8.134 -1.112 -0.867 1.00 0.00 O ATOM 833 CB PHE A 56 -6.433 1.670 -0.325 1.00 0.00 C ATOM 834 CG PHE A 56 -5.240 0.778 -0.131 1.00 0.00 C ATOM 835 CD1 PHE A 56 -5.040 -0.321 -0.950 1.00 0.00 C ATOM 836 CD2 PHE A 56 -4.320 1.039 0.871 1.00 0.00 C ATOM 837 CE1 PHE A 56 -3.943 -1.143 -0.775 1.00 0.00 C ATOM 838 CE2 PHE A 56 -3.221 0.221 1.051 1.00 0.00 C ATOM 839 CZ PHE A 56 -3.033 -0.873 0.228 1.00 0.00 C ATOM 0 H PHE A 56 -6.944 -0.490 1.328 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.478 1.833 0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.518 1.925 -1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.271 2.602 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.750 -0.538 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.463 1.891 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.798 -1.996 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.509 0.437 1.834 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.176 -1.515 0.369 1.00 0.00 H new ATOM 849 N PRO A 57 -8.946 0.691 -1.946 1.00 0.00 N ATOM 850 CA PRO A 57 -9.526 -0.071 -3.056 1.00 0.00 C ATOM 851 C PRO A 57 -8.460 -0.677 -3.963 1.00 0.00 C ATOM 852 O PRO A 57 -7.566 0.023 -4.439 1.00 0.00 O ATOM 853 CB PRO A 57 -10.343 0.976 -3.817 1.00 0.00 C ATOM 854 CG PRO A 57 -9.689 2.275 -3.494 1.00 0.00 C ATOM 855 CD PRO A 57 -9.170 2.139 -2.089 1.00 0.00 C ATOM 0 HA PRO A 57 -10.115 -0.918 -2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.332 0.783 -4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.387 0.969 -3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.878 2.488 -4.191 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.399 3.099 -3.570 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.249 2.704 -1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.889 2.508 -1.358 1.00 0.00 H new ATOM 863 N SER A 58 -8.562 -1.981 -4.199 1.00 0.00 N ATOM 864 CA SER A 58 -7.604 -2.681 -5.047 1.00 0.00 C ATOM 865 C SER A 58 -7.518 -2.028 -6.423 1.00 0.00 C ATOM 866 O SER A 58 -6.456 -2.005 -7.046 1.00 0.00 O ATOM 867 CB SER A 58 -7.999 -4.152 -5.192 1.00 0.00 C ATOM 868 OG SER A 58 -9.114 -4.298 -6.054 1.00 0.00 O ATOM 0 H SER A 58 -9.298 -2.574 -3.815 1.00 0.00 H new ATOM 0 HA SER A 58 -6.624 -2.620 -4.573 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.156 -4.721 -5.583 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.236 -4.566 -4.212 1.00 0.00 H new ATOM 0 HG SER A 58 -9.346 -5.247 -6.131 1.00 0.00 H new ATOM 874 N ASP A 59 -8.643 -1.499 -6.891 1.00 0.00 N ATOM 875 CA ASP A 59 -8.696 -0.845 -8.193 1.00 0.00 C ATOM 876 C ASP A 59 -7.725 0.331 -8.250 1.00 0.00 C ATOM 877 O ASP A 59 -7.285 0.734 -9.327 1.00 0.00 O ATOM 878 CB ASP A 59 -10.117 -0.363 -8.488 1.00 0.00 C ATOM 879 CG ASP A 59 -11.070 -1.509 -8.766 1.00 0.00 C ATOM 880 OD1 ASP A 59 -10.647 -2.489 -9.415 1.00 0.00 O ATOM 881 OD2 ASP A 59 -12.239 -1.426 -8.335 1.00 0.00 O ATOM 0 H ASP A 59 -9.530 -1.510 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.403 -1.573 -8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.485 0.215 -7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.099 0.308 -9.347 1.00 0.00 H new ATOM 886 N TYR A 60 -7.396 0.877 -7.085 1.00 0.00 N ATOM 887 CA TYR A 60 -6.481 2.008 -7.002 1.00 0.00 C ATOM 888 C TYR A 60 -5.030 1.535 -6.975 1.00 0.00 C ATOM 889 O TYR A 60 -4.123 2.250 -7.402 1.00 0.00 O ATOM 890 CB TYR A 60 -6.780 2.844 -5.756 1.00 0.00 C ATOM 891 CG TYR A 60 -7.911 3.829 -5.945 1.00 0.00 C ATOM 892 CD1 TYR A 60 -9.124 3.428 -6.491 1.00 0.00 C ATOM 893 CD2 TYR A 60 -7.766 5.161 -5.577 1.00 0.00 C ATOM 894 CE1 TYR A 60 -10.160 4.326 -6.666 1.00 0.00 C ATOM 895 CE2 TYR A 60 -8.797 6.065 -5.747 1.00 0.00 C ATOM 896 CZ TYR A 60 -9.991 5.643 -6.292 1.00 0.00 C ATOM 897 OH TYR A 60 -11.021 6.539 -6.464 1.00 0.00 O ATOM 0 H TYR A 60 -7.750 0.554 -6.184 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.627 2.625 -7.889 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.026 2.176 -4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.880 3.388 -5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.260 2.397 -6.784 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.832 5.495 -5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.096 3.999 -7.093 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.668 7.097 -5.455 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.741 7.424 -6.149 1.00 0.00 H new ATOM 907 N VAL A 61 -4.820 0.324 -6.469 1.00 0.00 N ATOM 908 CA VAL A 61 -3.481 -0.248 -6.387 1.00 0.00 C ATOM 909 C VAL A 61 -3.329 -1.430 -7.337 1.00 0.00 C ATOM 910 O VAL A 61 -4.100 -2.389 -7.280 1.00 0.00 O ATOM 911 CB VAL A 61 -3.155 -0.710 -4.954 1.00 0.00 C ATOM 912 CG1 VAL A 61 -3.017 0.487 -4.026 1.00 0.00 C ATOM 913 CG2 VAL A 61 -4.223 -1.668 -4.448 1.00 0.00 C ATOM 0 H VAL A 61 -5.559 -0.280 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.783 0.538 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.202 -1.239 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.787 0.141 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.213 1.132 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.952 1.047 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.977 -1.985 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.191 -1.166 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.267 -2.541 -5.100 1.00 0.00 H new ATOM 923 N ILE A 62 -2.330 -1.356 -8.210 1.00 0.00 N ATOM 924 CA ILE A 62 -2.075 -2.421 -9.172 1.00 0.00 C ATOM 925 C ILE A 62 -0.807 -3.190 -8.818 1.00 0.00 C ATOM 926 O ILE A 62 0.221 -2.613 -8.464 1.00 0.00 O ATOM 927 CB ILE A 62 -1.944 -1.868 -10.603 1.00 0.00 C ATOM 928 CG1 ILE A 62 -2.323 -2.941 -11.625 1.00 0.00 C ATOM 929 CG2 ILE A 62 -0.527 -1.370 -10.850 1.00 0.00 C ATOM 930 CD1 ILE A 62 -2.462 -2.410 -13.035 1.00 0.00 C ATOM 0 H ILE A 62 -1.684 -0.569 -8.271 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.930 -3.096 -9.129 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.629 -1.028 -10.716 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.566 -3.725 -11.614 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.264 -3.401 -11.324 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.450 -0.982 -11.866 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.291 -0.578 -10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.176 -2.193 -10.722 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.732 -3.226 -13.706 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.239 -1.646 -13.061 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.515 -1.975 -13.355 1.00 0.00 H new ATOM 942 N PRO A 63 -0.878 -4.526 -8.916 1.00 0.00 N ATOM 943 CA PRO A 63 0.256 -5.404 -8.613 1.00 0.00 C ATOM 944 C PRO A 63 1.371 -5.289 -9.647 1.00 0.00 C ATOM 945 O PRO A 63 1.278 -5.849 -10.740 1.00 0.00 O ATOM 946 CB PRO A 63 -0.361 -6.805 -8.645 1.00 0.00 C ATOM 947 CG PRO A 63 -1.546 -6.676 -9.539 1.00 0.00 C ATOM 948 CD PRO A 63 -2.071 -5.282 -9.332 1.00 0.00 C ATOM 0 HA PRO A 63 0.724 -5.151 -7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.346 -7.540 -9.029 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.652 -7.133 -7.647 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.269 -6.838 -10.581 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.304 -7.419 -9.292 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.505 -4.876 -10.246 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.850 -5.255 -8.570 1.00 0.00 H new ATOM 956 N VAL A 64 2.425 -4.560 -9.295 1.00 0.00 N ATOM 957 CA VAL A 64 3.559 -4.373 -10.192 1.00 0.00 C ATOM 958 C VAL A 64 4.456 -5.606 -10.209 1.00 0.00 C ATOM 959 O VAL A 64 4.769 -6.173 -9.163 1.00 0.00 O ATOM 960 CB VAL A 64 4.399 -3.147 -9.788 1.00 0.00 C ATOM 961 CG1 VAL A 64 3.556 -1.882 -9.839 1.00 0.00 C ATOM 962 CG2 VAL A 64 4.996 -3.345 -8.403 1.00 0.00 C ATOM 0 H VAL A 64 2.517 -4.089 -8.395 1.00 0.00 H new ATOM 0 HA VAL A 64 3.149 -4.211 -11.189 1.00 0.00 H new ATOM 0 HB VAL A 64 5.218 -3.038 -10.499 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.166 -1.026 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.181 -1.735 -10.852 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.716 -1.977 -9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.587 -2.470 -8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.194 -3.480 -7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.636 -4.228 -8.405 1.00 0.00 H new ATOM 972 N SER A 65 4.866 -6.017 -11.405 1.00 0.00 N ATOM 973 CA SER A 65 5.724 -7.185 -11.560 1.00 0.00 C ATOM 974 C SER A 65 6.965 -7.067 -10.680 1.00 0.00 C ATOM 975 O SER A 65 7.190 -7.887 -9.790 1.00 0.00 O ATOM 976 CB SER A 65 6.137 -7.352 -13.023 1.00 0.00 C ATOM 977 OG SER A 65 7.006 -8.459 -13.186 1.00 0.00 O ATOM 0 H SER A 65 4.617 -5.558 -12.281 1.00 0.00 H new ATOM 0 HA SER A 65 5.159 -8.063 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.250 -7.489 -13.641 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.631 -6.444 -13.370 1.00 0.00 H new ATOM 0 HG SER A 65 6.599 -9.106 -13.799 1.00 0.00 H new ATOM 983 N GLY A 66 7.770 -6.040 -10.937 1.00 0.00 N ATOM 984 CA GLY A 66 8.979 -5.832 -10.161 1.00 0.00 C ATOM 985 C GLY A 66 10.213 -6.371 -10.857 1.00 0.00 C ATOM 986 O GLY A 66 10.152 -6.864 -11.983 1.00 0.00 O ATOM 0 H GLY A 66 7.606 -5.348 -11.669 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.108 -4.766 -9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.872 -6.316 -9.190 1.00 0.00 H new ATOM 990 N PRO A 67 11.367 -6.278 -10.179 1.00 0.00 N ATOM 991 CA PRO A 67 12.644 -6.753 -10.720 1.00 0.00 C ATOM 992 C PRO A 67 12.705 -8.274 -10.809 1.00 0.00 C ATOM 993 O PRO A 67 13.696 -8.839 -11.273 1.00 0.00 O ATOM 994 CB PRO A 67 13.672 -6.234 -9.712 1.00 0.00 C ATOM 995 CG PRO A 67 12.913 -6.088 -8.438 1.00 0.00 C ATOM 996 CD PRO A 67 11.514 -5.701 -8.832 1.00 0.00 C ATOM 0 HA PRO A 67 12.811 -6.402 -11.738 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.503 -6.930 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.095 -5.282 -10.032 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.916 -7.020 -7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.363 -5.327 -7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.775 -6.104 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.384 -4.619 -8.842 1.00 0.00 H new ATOM 1004 N SER A 68 11.640 -8.932 -10.361 1.00 0.00 N ATOM 1005 CA SER A 68 11.575 -10.389 -10.387 1.00 0.00 C ATOM 1006 C SER A 68 10.314 -10.863 -11.103 1.00 0.00 C ATOM 1007 O SER A 68 9.268 -10.218 -11.034 1.00 0.00 O ATOM 1008 CB SER A 68 11.607 -10.947 -8.963 1.00 0.00 C ATOM 1009 OG SER A 68 11.532 -12.362 -8.968 1.00 0.00 O ATOM 0 H SER A 68 10.811 -8.480 -9.976 1.00 0.00 H new ATOM 0 HA SER A 68 12.443 -10.758 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.524 -10.630 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.775 -10.538 -8.390 1.00 0.00 H new ATOM 0 HG SER A 68 11.556 -12.694 -8.046 1.00 0.00 H new ATOM 1015 N SER A 69 10.423 -11.996 -11.790 1.00 0.00 N ATOM 1016 CA SER A 69 9.293 -12.557 -12.522 1.00 0.00 C ATOM 1017 C SER A 69 8.736 -11.545 -13.519 1.00 0.00 C ATOM 1018 O SER A 69 7.523 -11.386 -13.647 1.00 0.00 O ATOM 1019 CB SER A 69 8.194 -12.992 -11.551 1.00 0.00 C ATOM 1020 OG SER A 69 8.651 -14.021 -10.691 1.00 0.00 O ATOM 0 H SER A 69 11.281 -12.543 -11.855 1.00 0.00 H new ATOM 0 HA SER A 69 9.645 -13.429 -13.074 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.868 -12.137 -10.959 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.326 -13.341 -12.111 1.00 0.00 H new ATOM 0 HG SER A 69 7.931 -14.280 -10.079 1.00 0.00 H new ATOM 1026 N GLY A 70 9.633 -10.862 -14.224 1.00 0.00 N ATOM 1027 CA GLY A 70 9.213 -9.874 -15.200 1.00 0.00 C ATOM 1028 C GLY A 70 8.755 -10.502 -16.501 1.00 0.00 C ATOM 1029 O GLY A 70 7.600 -10.908 -16.629 1.00 0.00 O ATOM 0 H GLY A 70 10.643 -10.975 -14.136 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.402 -9.278 -14.783 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.039 -9.192 -15.401 1.00 0.00 H new TER 1033 GLY A 70