USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 585 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 Single : A 1 MET CE :methyl 134:sc= -0.136 (180deg=-0.968) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0833 (180deg=-0.561) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0288 K(o=-0.029,f=-2.1!) USER MOD Single : A 39 MET CE :methyl 136:sc= -0.281 (180deg=-1.1) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -80:sc= -1.67 USER MOD Single : A 54 LYS NZ :NH3+ 132:sc= -0.0495 (180deg=-0.475) USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= 0.566 (180deg=-0.514) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.618 USER MOD Single : A 64 GLN : amide:sc= -4.83! C(o=-4.8!,f=-7.6!) USER MOD Single : A 70 SER OG : rot 178:sc= -0.287 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.35) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.580 1.240 -10.425 1.00 0.00 N ATOM 2 CA MET A 1 70.259 0.581 -10.219 1.00 0.00 C ATOM 3 C MET A 1 70.448 -0.932 -10.157 1.00 0.00 C ATOM 4 O MET A 1 70.080 -1.653 -11.084 1.00 0.00 O ATOM 5 CB MET A 1 69.335 0.956 -11.380 1.00 0.00 C ATOM 6 CG MET A 1 67.927 0.418 -11.116 1.00 0.00 C ATOM 7 SD MET A 1 66.817 0.935 -12.451 1.00 0.00 S ATOM 8 CE MET A 1 67.549 -0.050 -13.781 1.00 0.00 C ATOM 0 H1 MET A 1 71.451 2.271 -10.467 1.00 0.00 H new ATOM 0 H2 MET A 1 72.213 1.002 -9.635 1.00 0.00 H new ATOM 0 H3 MET A 1 71.999 0.907 -11.317 1.00 0.00 H new ATOM 0 HA MET A 1 69.814 0.914 -9.281 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.304 2.039 -11.497 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.722 0.545 -12.312 1.00 0.00 H new ATOM 0 HG2 MET A 1 67.949 -0.670 -11.049 1.00 0.00 H new ATOM 0 HG3 MET A 1 67.559 0.789 -10.159 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.758 -0.547 -14.343 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.114 0.601 -14.447 1.00 0.00 H new ATOM 0 HE3 MET A 1 68.216 -0.799 -13.354 1.00 0.00 H new ATOM 20 N TYR A 2 71.018 -1.407 -9.050 1.00 0.00 N ATOM 21 CA TYR A 2 71.250 -2.838 -8.870 1.00 0.00 C ATOM 22 C TYR A 2 70.029 -3.467 -8.213 1.00 0.00 C ATOM 23 O TYR A 2 69.499 -2.938 -7.236 1.00 0.00 O ATOM 24 CB TYR A 2 72.496 -3.065 -8.001 1.00 0.00 C ATOM 25 CG TYR A 2 73.021 -4.479 -8.210 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.386 -5.568 -7.585 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.139 -4.706 -9.032 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.865 -6.867 -7.782 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.615 -6.011 -9.225 1.00 0.00 C ATOM 30 CZ TYR A 2 73.978 -7.088 -8.599 1.00 0.00 C ATOM 31 OH TYR A 2 74.445 -8.371 -8.789 1.00 0.00 O ATOM 0 H TYR A 2 71.325 -0.826 -8.270 1.00 0.00 H new ATOM 0 HA TYR A 2 71.416 -3.303 -9.842 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.267 -2.339 -8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.251 -2.910 -6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.527 -5.400 -6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.631 -3.875 -9.515 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.374 -7.701 -7.302 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.473 -6.185 -9.857 1.00 0.00 H new ATOM 0 HH TYR A 2 75.223 -8.351 -9.384 1.00 0.00 H new ATOM 41 N GLU A 3 69.579 -4.588 -8.764 1.00 0.00 N ATOM 42 CA GLU A 3 68.401 -5.279 -8.240 1.00 0.00 C ATOM 43 C GLU A 3 68.801 -6.387 -7.270 1.00 0.00 C ATOM 44 O GLU A 3 69.533 -7.308 -7.636 1.00 0.00 O ATOM 45 CB GLU A 3 67.603 -5.884 -9.402 1.00 0.00 C ATOM 46 CG GLU A 3 67.155 -4.776 -10.369 1.00 0.00 C ATOM 47 CD GLU A 3 68.295 -4.412 -11.318 1.00 0.00 C ATOM 48 OE1 GLU A 3 69.381 -4.935 -11.136 1.00 0.00 O ATOM 49 OE2 GLU A 3 68.065 -3.617 -12.215 1.00 0.00 O ATOM 0 H GLU A 3 70.009 -5.039 -9.572 1.00 0.00 H new ATOM 0 HA GLU A 3 67.789 -4.554 -7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.214 -6.614 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.733 -6.416 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.289 -5.110 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 3 66.845 -3.895 -9.806 1.00 0.00 H new ATOM 56 N PHE A 4 68.302 -6.303 -6.034 1.00 0.00 N ATOM 57 CA PHE A 4 68.601 -7.319 -5.019 1.00 0.00 C ATOM 58 C PHE A 4 67.528 -8.403 -5.062 1.00 0.00 C ATOM 59 O PHE A 4 66.365 -8.157 -4.740 1.00 0.00 O ATOM 60 CB PHE A 4 68.672 -6.672 -3.612 1.00 0.00 C ATOM 61 CG PHE A 4 68.540 -7.723 -2.512 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.506 -8.737 -2.384 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.450 -7.688 -1.615 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.378 -9.707 -1.385 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.332 -8.658 -0.618 1.00 0.00 C ATOM 66 CZ PHE A 4 68.292 -9.670 -0.504 1.00 0.00 C ATOM 0 H PHE A 4 67.694 -5.549 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 4 69.571 -7.769 -5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.618 -6.142 -3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.878 -5.932 -3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.349 -8.767 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.706 -6.909 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 4 70.120 -10.487 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.498 -8.627 0.067 1.00 0.00 H new ATOM 0 HZ PHE A 4 68.194 -10.423 0.264 1.00 0.00 H new ATOM 76 N LYS A 5 67.934 -9.605 -5.469 1.00 0.00 N ATOM 77 CA LYS A 5 67.016 -10.740 -5.569 1.00 0.00 C ATOM 78 C LYS A 5 67.406 -11.833 -4.583 1.00 0.00 C ATOM 79 O LYS A 5 68.586 -12.047 -4.316 1.00 0.00 O ATOM 80 CB LYS A 5 67.047 -11.305 -6.992 1.00 0.00 C ATOM 81 CG LYS A 5 68.459 -11.792 -7.329 1.00 0.00 C ATOM 82 CD LYS A 5 68.488 -12.287 -8.776 1.00 0.00 C ATOM 83 CE LYS A 5 69.896 -12.776 -9.121 1.00 0.00 C ATOM 84 NZ LYS A 5 69.919 -13.263 -10.530 1.00 0.00 N ATOM 0 H LYS A 5 68.895 -9.819 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 5 66.010 -10.394 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 5 66.338 -12.128 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.738 -10.539 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 5 69.177 -10.983 -7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 5 68.751 -12.594 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.768 -13.095 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 5 68.195 -11.484 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 5 70.616 -11.967 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 5 70.191 -13.577 -8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 70.875 -13.596 -10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 69.243 -14.046 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 69.654 -12.487 -11.170 1.00 0.00 H new ATOM 98 N LEU A 6 66.405 -12.532 -4.059 1.00 0.00 N ATOM 99 CA LEU A 6 66.660 -13.620 -3.105 1.00 0.00 C ATOM 100 C LEU A 6 67.562 -14.677 -3.765 1.00 0.00 C ATOM 101 O LEU A 6 67.110 -15.369 -4.676 1.00 0.00 O ATOM 102 CB LEU A 6 65.338 -14.287 -2.675 1.00 0.00 C ATOM 103 CG LEU A 6 65.547 -15.097 -1.380 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.188 -15.585 -0.873 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.467 -16.307 -1.647 1.00 0.00 C ATOM 0 H LEU A 6 65.420 -12.373 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 6 67.149 -13.203 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.573 -13.527 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.978 -14.942 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 6 66.017 -14.461 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.326 -16.159 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.546 -14.728 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.723 -16.216 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 6 66.606 -16.869 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 6 66.012 -16.951 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.434 -15.956 -2.007 1.00 0.00 H new ATOM 117 N PRO A 7 68.811 -14.836 -3.356 1.00 0.00 N ATOM 118 CA PRO A 7 69.704 -15.856 -3.990 1.00 0.00 C ATOM 119 C PRO A 7 69.097 -17.258 -3.967 1.00 0.00 C ATOM 120 O PRO A 7 68.457 -17.658 -2.993 1.00 0.00 O ATOM 121 CB PRO A 7 70.993 -15.800 -3.152 1.00 0.00 C ATOM 122 CG PRO A 7 70.985 -14.447 -2.518 1.00 0.00 C ATOM 123 CD PRO A 7 69.516 -14.093 -2.285 1.00 0.00 C ATOM 0 HA PRO A 7 69.872 -15.642 -5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.009 -16.588 -2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.876 -15.938 -3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.537 -14.454 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.465 -13.712 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.181 -14.401 -1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.344 -13.019 -2.361 1.00 0.00 H new ATOM 221 N GLU A 15 59.123 -21.157 -1.068 1.00 0.00 N ATOM 222 CA GLU A 15 58.549 -19.824 -1.227 1.00 0.00 C ATOM 223 C GLU A 15 59.254 -18.829 -0.309 1.00 0.00 C ATOM 224 O GLU A 15 59.805 -19.210 0.725 1.00 0.00 O ATOM 225 CB GLU A 15 57.039 -19.846 -0.956 1.00 0.00 C ATOM 226 CG GLU A 15 56.751 -20.126 0.524 1.00 0.00 C ATOM 227 CD GLU A 15 55.245 -20.201 0.741 1.00 0.00 C ATOM 228 OE1 GLU A 15 54.520 -19.891 -0.189 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.837 -20.534 1.841 1.00 0.00 O ATOM 0 HA GLU A 15 58.699 -19.504 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.601 -18.890 -1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 15 56.566 -20.610 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.220 -21.062 0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 15 57.180 -19.339 1.145 1.00 0.00 H new ATOM 236 N GLY A 16 59.248 -17.551 -0.695 1.00 0.00 N ATOM 237 CA GLY A 16 59.912 -16.511 0.093 1.00 0.00 C ATOM 238 C GLY A 16 58.937 -15.809 1.037 1.00 0.00 C ATOM 239 O GLY A 16 57.972 -15.195 0.588 1.00 0.00 O ATOM 0 H GLY A 16 58.793 -17.213 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.723 -16.954 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.362 -15.778 -0.577 1.00 0.00 H new ATOM 243 N GLU A 17 59.201 -15.892 2.347 1.00 0.00 N ATOM 244 CA GLU A 17 58.352 -15.243 3.349 1.00 0.00 C ATOM 245 C GLU A 17 59.202 -14.347 4.234 1.00 0.00 C ATOM 246 O GLU A 17 60.277 -14.742 4.686 1.00 0.00 O ATOM 247 CB GLU A 17 57.653 -16.293 4.210 1.00 0.00 C ATOM 248 CG GLU A 17 56.643 -17.038 3.350 1.00 0.00 C ATOM 249 CD GLU A 17 55.982 -18.152 4.155 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.267 -18.255 5.335 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.201 -18.888 3.575 1.00 0.00 O ATOM 0 H GLU A 17 59.995 -16.402 2.735 1.00 0.00 H new ATOM 0 HA GLU A 17 57.598 -14.645 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 17 58.383 -16.989 4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 17 57.153 -15.817 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 17 55.885 -16.345 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 17 57.139 -17.458 2.475 1.00 0.00 H new ATOM 258 N ILE A 18 58.727 -13.127 4.458 1.00 0.00 N ATOM 259 CA ILE A 18 59.461 -12.153 5.274 1.00 0.00 C ATOM 260 C ILE A 18 58.861 -12.023 6.669 1.00 0.00 C ATOM 261 O ILE A 18 57.683 -11.698 6.823 1.00 0.00 O ATOM 262 CB ILE A 18 59.424 -10.791 4.555 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.284 -10.852 3.277 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.929 -9.672 5.475 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.785 -10.717 3.603 1.00 0.00 C ATOM 0 H ILE A 18 57.840 -12.785 4.089 1.00 0.00 H new ATOM 0 HA ILE A 18 60.489 -12.495 5.394 1.00 0.00 H new ATOM 0 HB ILE A 18 58.391 -10.571 4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.105 -11.795 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.985 -10.055 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.893 -8.721 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.297 -9.617 6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.956 -9.882 5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.363 -10.764 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.966 -9.762 4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.088 -11.529 4.263 1.00 0.00 H new ATOM 277 N VAL A 19 59.684 -12.276 7.687 1.00 0.00 N ATOM 278 CA VAL A 19 59.234 -12.178 9.072 1.00 0.00 C ATOM 279 C VAL A 19 59.467 -10.775 9.641 1.00 0.00 C ATOM 280 O VAL A 19 58.588 -10.228 10.308 1.00 0.00 O ATOM 281 CB VAL A 19 59.965 -13.218 9.923 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.426 -12.811 10.113 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.282 -13.342 11.289 1.00 0.00 C ATOM 0 H VAL A 19 60.661 -12.549 7.578 1.00 0.00 H new ATOM 0 HA VAL A 19 58.162 -12.371 9.096 1.00 0.00 H new ATOM 0 HB VAL A 19 59.929 -14.180 9.412 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.936 -13.559 10.720 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.913 -12.739 9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.472 -11.844 10.614 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.806 -14.084 11.892 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.307 -12.378 11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.246 -13.652 11.151 1.00 0.00 H new ATOM 293 N ARG A 20 60.653 -10.195 9.398 1.00 0.00 N ATOM 294 CA ARG A 20 60.968 -8.856 9.925 1.00 0.00 C ATOM 295 C ARG A 20 61.863 -8.038 8.981 1.00 0.00 C ATOM 296 O ARG A 20 62.754 -8.576 8.322 1.00 0.00 O ATOM 297 CB ARG A 20 61.685 -8.988 11.277 1.00 0.00 C ATOM 298 CG ARG A 20 60.699 -9.461 12.348 1.00 0.00 C ATOM 299 CD ARG A 20 61.426 -9.590 13.688 1.00 0.00 C ATOM 300 NE ARG A 20 60.487 -10.011 14.726 1.00 0.00 N ATOM 301 CZ ARG A 20 60.229 -11.300 14.948 1.00 0.00 C ATOM 302 NH1 ARG A 20 60.815 -12.215 14.225 1.00 0.00 N ATOM 303 NH2 ARG A 20 59.394 -11.646 15.888 1.00 0.00 N ATOM 0 H ARG A 20 61.399 -10.623 8.849 1.00 0.00 H new ATOM 0 HA ARG A 20 60.019 -8.330 10.029 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.510 -9.695 11.193 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.115 -8.029 11.565 1.00 0.00 H new ATOM 0 HG2 ARG A 20 59.874 -8.754 12.436 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.267 -10.420 12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.236 -10.314 13.603 1.00 0.00 H new ATOM 0 HD3 ARG A 20 61.878 -8.636 13.960 1.00 0.00 H new ATOM 0 HE ARG A 20 60.019 -9.304 15.293 1.00 0.00 H new ATOM 0 HH11 ARG A 20 61.469 -11.944 13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 20 60.619 -13.202 14.394 1.00 0.00 H new ATOM 0 HH21 ARG A 20 58.938 -10.930 16.454 1.00 0.00 H new ATOM 0 HH22 ARG A 20 59.197 -12.632 16.057 1.00 0.00 H new ATOM 317 N TRP A 21 61.653 -6.715 8.996 1.00 0.00 N ATOM 318 CA TRP A 21 62.475 -5.774 8.212 1.00 0.00 C ATOM 319 C TRP A 21 63.230 -4.882 9.206 1.00 0.00 C ATOM 320 O TRP A 21 62.650 -4.438 10.197 1.00 0.00 O ATOM 321 CB TRP A 21 61.608 -4.864 7.313 1.00 0.00 C ATOM 322 CG TRP A 21 61.187 -5.544 6.040 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.915 -5.880 5.737 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.998 -5.901 4.867 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.893 -6.451 4.473 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.151 -6.487 3.897 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.369 -5.790 4.564 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.643 -6.941 2.671 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.870 -6.239 3.326 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.009 -6.811 2.381 1.00 0.00 C ATOM 0 H TRP A 21 60.918 -6.267 9.544 1.00 0.00 H new ATOM 0 HA TRP A 21 63.147 -6.345 7.571 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.721 -4.552 7.865 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.167 -3.960 7.071 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.056 -5.729 6.374 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.049 -6.803 4.021 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.043 -5.356 5.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.975 -7.390 1.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.923 -6.142 3.105 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.396 -7.151 1.432 1.00 0.00 H new ATOM 341 N ASP A 22 64.519 -4.628 8.962 1.00 0.00 N ATOM 342 CA ASP A 22 65.312 -3.790 9.878 1.00 0.00 C ATOM 343 C ASP A 22 65.577 -2.405 9.291 1.00 0.00 C ATOM 344 O ASP A 22 66.251 -1.583 9.910 1.00 0.00 O ATOM 345 CB ASP A 22 66.646 -4.467 10.181 1.00 0.00 C ATOM 346 CG ASP A 22 67.314 -4.895 8.879 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.682 -5.606 8.116 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.445 -4.493 8.658 1.00 0.00 O ATOM 0 H ASP A 22 65.032 -4.981 8.154 1.00 0.00 H new ATOM 0 HA ASP A 22 64.734 -3.670 10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.296 -3.783 10.726 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.487 -5.335 10.821 1.00 0.00 H new ATOM 353 N VAL A 23 65.058 -2.146 8.093 1.00 0.00 N ATOM 354 CA VAL A 23 65.260 -0.848 7.441 1.00 0.00 C ATOM 355 C VAL A 23 63.965 -0.346 6.814 1.00 0.00 C ATOM 356 O VAL A 23 63.049 -1.128 6.551 1.00 0.00 O ATOM 357 CB VAL A 23 66.347 -0.978 6.376 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.671 -1.358 7.050 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.956 -2.069 5.376 1.00 0.00 C ATOM 0 H VAL A 23 64.499 -2.809 7.556 1.00 0.00 H new ATOM 0 HA VAL A 23 65.572 -0.123 8.193 1.00 0.00 H new ATOM 0 HB VAL A 23 66.459 -0.029 5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.450 -1.452 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.951 -0.584 7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.554 -2.308 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.732 -2.161 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.845 -3.019 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 23 65.012 -1.805 4.900 1.00 0.00 H new ATOM 369 N LYS A 24 63.893 0.963 6.568 1.00 0.00 N ATOM 370 CA LYS A 24 62.704 1.567 5.969 1.00 0.00 C ATOM 371 C LYS A 24 63.110 2.576 4.900 1.00 0.00 C ATOM 372 O LYS A 24 64.193 3.159 4.955 1.00 0.00 O ATOM 373 CB LYS A 24 61.876 2.276 7.043 1.00 0.00 C ATOM 374 CG LYS A 24 61.306 1.241 8.014 1.00 0.00 C ATOM 375 CD LYS A 24 60.463 1.942 9.080 1.00 0.00 C ATOM 376 CE LYS A 24 59.842 0.891 10.001 1.00 0.00 C ATOM 377 NZ LYS A 24 60.929 0.136 10.686 1.00 0.00 N ATOM 0 H LYS A 24 64.643 1.623 6.774 1.00 0.00 H new ATOM 0 HA LYS A 24 62.107 0.777 5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 24 62.496 2.992 7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.067 2.840 6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.696 0.518 7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.117 0.685 8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 24 61.082 2.628 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 24 59.681 2.538 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 24 59.197 1.371 10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 24 59.217 0.209 9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 60.545 -0.339 11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 61.321 -0.575 10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 61.681 0.794 10.974 1.00 0.00 H new ATOM 391 N GLU A 25 62.226 2.775 3.931 1.00 0.00 N ATOM 392 CA GLU A 25 62.485 3.716 2.845 1.00 0.00 C ATOM 393 C GLU A 25 62.756 5.118 3.395 1.00 0.00 C ATOM 394 O GLU A 25 62.117 5.551 4.355 1.00 0.00 O ATOM 395 CB GLU A 25 61.278 3.761 1.894 1.00 0.00 C ATOM 396 CG GLU A 25 59.953 3.768 2.690 1.00 0.00 C ATOM 397 CD GLU A 25 59.404 2.349 2.851 1.00 0.00 C ATOM 398 OE1 GLU A 25 60.184 1.460 3.147 1.00 0.00 O ATOM 399 OE2 GLU A 25 58.209 2.176 2.672 1.00 0.00 O ATOM 0 H GLU A 25 61.325 2.300 3.873 1.00 0.00 H new ATOM 0 HA GLU A 25 63.367 3.378 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.336 4.651 1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.302 2.899 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 25 60.117 4.212 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.219 4.390 2.177 1.00 0.00 H new ATOM 406 N GLY A 26 63.696 5.828 2.767 1.00 0.00 N ATOM 407 CA GLY A 26 64.031 7.192 3.188 1.00 0.00 C ATOM 408 C GLY A 26 65.213 7.231 4.158 1.00 0.00 C ATOM 409 O GLY A 26 65.511 8.283 4.725 1.00 0.00 O ATOM 0 H GLY A 26 64.235 5.486 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.266 7.793 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.161 7.647 3.662 1.00 0.00 H new ATOM 413 N ASP A 27 65.886 6.092 4.362 1.00 0.00 N ATOM 414 CA ASP A 27 67.031 6.041 5.284 1.00 0.00 C ATOM 415 C ASP A 27 68.233 5.367 4.622 1.00 0.00 C ATOM 416 O ASP A 27 68.096 4.339 3.958 1.00 0.00 O ATOM 417 CB ASP A 27 66.634 5.291 6.555 1.00 0.00 C ATOM 418 CG ASP A 27 67.797 5.247 7.539 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.872 5.699 7.180 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.590 4.772 8.643 1.00 0.00 O ATOM 0 H ASP A 27 65.664 5.205 3.910 1.00 0.00 H new ATOM 0 HA ASP A 27 67.317 7.060 5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.777 5.779 7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.325 4.276 6.303 1.00 0.00 H new ATOM 425 N MET A 28 69.408 5.973 4.800 1.00 0.00 N ATOM 426 CA MET A 28 70.642 5.446 4.213 1.00 0.00 C ATOM 427 C MET A 28 71.220 4.317 5.064 1.00 0.00 C ATOM 428 O MET A 28 71.045 4.298 6.283 1.00 0.00 O ATOM 429 CB MET A 28 71.674 6.572 4.068 1.00 0.00 C ATOM 430 CG MET A 28 71.172 7.576 3.028 1.00 0.00 C ATOM 431 SD MET A 28 72.390 8.899 2.821 1.00 0.00 S ATOM 432 CE MET A 28 71.338 9.989 1.829 1.00 0.00 C ATOM 0 H MET A 28 69.532 6.827 5.344 1.00 0.00 H new ATOM 0 HA MET A 28 70.404 5.042 3.229 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.828 7.068 5.027 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.637 6.163 3.763 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.001 7.073 2.076 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.216 7.994 3.344 1.00 0.00 H new ATOM 0 HE1 MET A 28 71.889 10.894 1.575 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.042 9.475 0.914 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.448 10.255 2.400 1.00 0.00 H new ATOM 442 N VAL A 29 71.916 3.373 4.423 1.00 0.00 N ATOM 443 CA VAL A 29 72.523 2.247 5.143 1.00 0.00 C ATOM 444 C VAL A 29 73.871 1.875 4.522 1.00 0.00 C ATOM 445 O VAL A 29 74.081 2.035 3.319 1.00 0.00 O ATOM 446 CB VAL A 29 71.575 1.038 5.160 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.005 0.779 3.765 1.00 0.00 C ATOM 448 CG2 VAL A 29 72.332 -0.206 5.641 1.00 0.00 C ATOM 0 H VAL A 29 72.073 3.365 3.415 1.00 0.00 H new ATOM 0 HA VAL A 29 72.697 2.553 6.174 1.00 0.00 H new ATOM 0 HB VAL A 29 70.751 1.254 5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.336 -0.081 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 29 70.451 1.656 3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.820 0.577 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.657 -1.061 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 29 73.164 -0.409 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 29 72.714 -0.033 6.647 1.00 0.00 H new ATOM 458 N GLU A 30 74.794 1.406 5.367 1.00 0.00 N ATOM 459 CA GLU A 30 76.141 1.042 4.915 1.00 0.00 C ATOM 460 C GLU A 30 76.308 -0.478 4.784 1.00 0.00 C ATOM 461 O GLU A 30 75.518 -1.254 5.318 1.00 0.00 O ATOM 462 CB GLU A 30 77.165 1.582 5.919 1.00 0.00 C ATOM 463 CG GLU A 30 77.140 3.111 5.892 1.00 0.00 C ATOM 464 CD GLU A 30 78.102 3.674 6.933 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.727 2.887 7.624 1.00 0.00 O ATOM 466 OE2 GLU A 30 78.201 4.887 7.021 1.00 0.00 O ATOM 0 H GLU A 30 74.634 1.270 6.365 1.00 0.00 H new ATOM 0 HA GLU A 30 76.300 1.480 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.935 1.221 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 30 78.162 1.218 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 30 77.417 3.469 4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.129 3.469 6.090 1.00 0.00 H new ATOM 473 N LYS A 31 77.342 -0.884 4.041 1.00 0.00 N ATOM 474 CA LYS A 31 77.632 -2.302 3.798 1.00 0.00 C ATOM 475 C LYS A 31 77.796 -3.074 5.110 1.00 0.00 C ATOM 476 O LYS A 31 78.422 -2.590 6.053 1.00 0.00 O ATOM 477 CB LYS A 31 78.919 -2.405 2.967 1.00 0.00 C ATOM 478 CG LYS A 31 79.186 -3.856 2.557 1.00 0.00 C ATOM 479 CD LYS A 31 80.462 -3.909 1.715 1.00 0.00 C ATOM 480 CE LYS A 31 80.718 -5.353 1.279 1.00 0.00 C ATOM 481 NZ LYS A 31 81.963 -5.409 0.463 1.00 0.00 N ATOM 0 H LYS A 31 77.998 -0.244 3.593 1.00 0.00 H new ATOM 0 HA LYS A 31 76.794 -2.744 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.834 -1.781 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.762 -2.024 3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.292 -4.484 3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.343 -4.248 1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.362 -3.265 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.308 -3.535 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 31 80.813 -5.997 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 31 79.873 -5.725 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.139 -6.390 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 81.855 -4.806 -0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 82.766 -5.070 1.031 1.00 0.00 H new ATOM 495 N ASP A 32 77.220 -4.279 5.154 1.00 0.00 N ATOM 496 CA ASP A 32 77.296 -5.131 6.343 1.00 0.00 C ATOM 497 C ASP A 32 76.679 -4.446 7.561 1.00 0.00 C ATOM 498 O ASP A 32 77.239 -4.480 8.657 1.00 0.00 O ATOM 499 CB ASP A 32 78.752 -5.509 6.643 1.00 0.00 C ATOM 500 CG ASP A 32 79.261 -6.471 5.574 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.453 -6.915 4.774 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.450 -6.740 5.563 1.00 0.00 O ATOM 0 H ASP A 32 76.696 -4.686 4.379 1.00 0.00 H new ATOM 0 HA ASP A 32 76.726 -6.036 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.373 -4.614 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.823 -5.972 7.627 1.00 0.00 H new ATOM 507 N GLN A 33 75.508 -3.844 7.371 1.00 0.00 N ATOM 508 CA GLN A 33 74.811 -3.171 8.470 1.00 0.00 C ATOM 509 C GLN A 33 73.298 -3.288 8.296 1.00 0.00 C ATOM 510 O GLN A 33 72.675 -2.419 7.691 1.00 0.00 O ATOM 511 CB GLN A 33 75.212 -1.694 8.507 1.00 0.00 C ATOM 512 CG GLN A 33 74.525 -1.006 9.688 1.00 0.00 C ATOM 513 CD GLN A 33 75.030 0.427 9.827 1.00 0.00 C ATOM 514 OE1 GLN A 33 76.066 0.778 9.264 1.00 0.00 O ATOM 515 NE2 GLN A 33 74.356 1.275 10.554 1.00 0.00 N ATOM 0 H GLN A 33 75.023 -3.807 6.475 1.00 0.00 H new ATOM 0 HA GLN A 33 75.093 -3.650 9.408 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.294 -1.603 8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 33 74.929 -1.206 7.574 1.00 0.00 H new ATOM 0 HG2 GLN A 33 73.445 -1.006 9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 33 74.722 -1.560 10.606 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.498 0.979 11.019 1.00 0.00 H new ATOM 0 HE22 GLN A 33 74.687 2.234 10.658 1.00 0.00 H new ATOM 524 N ASP A 34 72.719 -4.371 8.830 1.00 0.00 N ATOM 525 CA ASP A 34 71.282 -4.603 8.729 1.00 0.00 C ATOM 526 C ASP A 34 70.961 -6.016 9.217 1.00 0.00 C ATOM 527 O ASP A 34 71.762 -6.934 9.048 1.00 0.00 O ATOM 528 CB ASP A 34 70.818 -4.451 7.261 1.00 0.00 C ATOM 529 CG ASP A 34 70.297 -3.044 6.961 1.00 0.00 C ATOM 530 OD1 ASP A 34 70.105 -2.278 7.891 1.00 0.00 O ATOM 531 OD2 ASP A 34 70.097 -2.756 5.793 1.00 0.00 O ATOM 0 H ASP A 34 73.228 -5.097 9.335 1.00 0.00 H new ATOM 0 HA ASP A 34 70.760 -3.870 9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.649 -4.678 6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 34 70.034 -5.179 7.053 1.00 0.00 H new ATOM 536 N LEU A 35 69.773 -6.185 9.793 1.00 0.00 N ATOM 537 CA LEU A 35 69.335 -7.497 10.276 1.00 0.00 C ATOM 538 C LEU A 35 68.046 -7.891 9.570 1.00 0.00 C ATOM 539 O LEU A 35 66.964 -7.416 9.905 1.00 0.00 O ATOM 540 CB LEU A 35 69.108 -7.465 11.792 1.00 0.00 C ATOM 541 CG LEU A 35 70.440 -7.190 12.502 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.177 -6.849 13.972 1.00 0.00 C ATOM 543 CD2 LEU A 35 71.358 -8.429 12.423 1.00 0.00 C ATOM 0 H LEU A 35 69.097 -5.435 9.937 1.00 0.00 H new ATOM 0 HA LEU A 35 70.112 -8.230 10.058 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.382 -6.693 12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.693 -8.415 12.129 1.00 0.00 H new ATOM 0 HG LEU A 35 70.932 -6.351 12.009 1.00 0.00 H new ATOM 0 HD11 LEU A 35 71.124 -6.654 14.475 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.545 -5.963 14.033 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.675 -7.687 14.456 1.00 0.00 H new ATOM 0 HD21 LEU A 35 72.299 -8.218 12.931 1.00 0.00 H new ATOM 0 HD22 LEU A 35 70.868 -9.276 12.903 1.00 0.00 H new ATOM 0 HD23 LEU A 35 71.556 -8.669 11.378 1.00 0.00 H new ATOM 555 N VAL A 36 68.181 -8.773 8.590 1.00 0.00 N ATOM 556 CA VAL A 36 67.037 -9.257 7.814 1.00 0.00 C ATOM 557 C VAL A 36 66.877 -10.753 8.038 1.00 0.00 C ATOM 558 O VAL A 36 67.841 -11.515 7.943 1.00 0.00 O ATOM 559 CB VAL A 36 67.257 -8.948 6.313 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.759 -8.967 5.999 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.542 -9.999 5.437 1.00 0.00 C ATOM 0 H VAL A 36 69.076 -9.173 8.308 1.00 0.00 H new ATOM 0 HA VAL A 36 66.127 -8.753 8.139 1.00 0.00 H new ATOM 0 HB VAL A 36 66.845 -7.963 6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.913 -8.749 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.266 -8.214 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.167 -9.951 6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.706 -9.768 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 36 66.941 -10.989 5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.473 -9.983 5.649 1.00 0.00 H new ATOM 571 N GLU A 37 65.648 -11.160 8.337 1.00 0.00 N ATOM 572 CA GLU A 37 65.346 -12.568 8.582 1.00 0.00 C ATOM 573 C GLU A 37 64.356 -13.080 7.538 1.00 0.00 C ATOM 574 O GLU A 37 63.296 -12.492 7.323 1.00 0.00 O ATOM 575 CB GLU A 37 64.754 -12.725 9.982 1.00 0.00 C ATOM 576 CG GLU A 37 65.823 -12.410 11.031 1.00 0.00 C ATOM 577 CD GLU A 37 65.226 -12.519 12.431 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.105 -12.988 12.540 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.902 -12.141 13.373 1.00 0.00 O ATOM 0 H GLU A 37 64.845 -10.536 8.416 1.00 0.00 H new ATOM 0 HA GLU A 37 66.264 -13.151 8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 37 63.902 -12.056 10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.384 -13.741 10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.660 -13.101 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.217 -11.406 10.871 1.00 0.00 H new ATOM 586 N VAL A 38 64.714 -14.185 6.889 1.00 0.00 N ATOM 587 CA VAL A 38 63.859 -14.794 5.861 1.00 0.00 C ATOM 588 C VAL A 38 63.489 -16.209 6.285 1.00 0.00 C ATOM 589 O VAL A 38 64.354 -17.007 6.644 1.00 0.00 O ATOM 590 CB VAL A 38 64.619 -14.829 4.529 1.00 0.00 C ATOM 591 CG1 VAL A 38 63.853 -15.638 3.475 1.00 0.00 C ATOM 592 CG2 VAL A 38 64.855 -13.403 4.016 1.00 0.00 C ATOM 0 H VAL A 38 65.590 -14.681 7.053 1.00 0.00 H new ATOM 0 HA VAL A 38 62.948 -14.207 5.741 1.00 0.00 H new ATOM 0 HB VAL A 38 65.579 -15.314 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 38 64.416 -15.645 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.721 -16.661 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 38 62.877 -15.184 3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 38 65.395 -13.441 3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 38 63.896 -12.907 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 38 65.442 -12.846 4.747 1.00 0.00 H new ATOM 602 N MET A 39 62.195 -16.507 6.247 1.00 0.00 N ATOM 603 CA MET A 39 61.691 -17.830 6.630 1.00 0.00 C ATOM 604 C MET A 39 61.217 -18.600 5.400 1.00 0.00 C ATOM 605 O MET A 39 60.473 -18.072 4.576 1.00 0.00 O ATOM 606 CB MET A 39 60.529 -17.670 7.612 1.00 0.00 C ATOM 607 CG MET A 39 60.061 -19.048 8.084 1.00 0.00 C ATOM 608 SD MET A 39 58.795 -18.864 9.367 1.00 0.00 S ATOM 609 CE MET A 39 57.512 -18.116 8.331 1.00 0.00 C ATOM 0 H MET A 39 61.470 -15.851 5.955 1.00 0.00 H new ATOM 0 HA MET A 39 62.499 -18.389 7.103 1.00 0.00 H new ATOM 0 HB2 MET A 39 60.842 -17.069 8.466 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.706 -17.140 7.133 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.659 -19.613 7.243 1.00 0.00 H new ATOM 0 HG3 MET A 39 60.906 -19.615 8.474 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.550 -18.580 8.551 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.455 -17.047 8.537 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.757 -18.270 7.280 1.00 0.00 H new ATOM 619 N THR A 40 61.663 -19.851 5.282 1.00 0.00 N ATOM 620 CA THR A 40 61.287 -20.701 4.145 1.00 0.00 C ATOM 621 C THR A 40 60.445 -21.881 4.621 1.00 0.00 C ATOM 622 O THR A 40 59.215 -21.833 4.591 1.00 0.00 O ATOM 623 CB THR A 40 62.550 -21.217 3.430 1.00 0.00 C ATOM 624 OG1 THR A 40 62.292 -22.501 2.881 1.00 0.00 O ATOM 625 CG2 THR A 40 63.716 -21.311 4.423 1.00 0.00 C ATOM 0 H THR A 40 62.283 -20.300 5.956 1.00 0.00 H new ATOM 0 HA THR A 40 60.698 -20.106 3.446 1.00 0.00 H new ATOM 0 HB THR A 40 62.816 -20.523 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.095 -22.829 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 40 64.604 -21.677 3.908 1.00 0.00 H new ATOM 0 HG22 THR A 40 63.919 -20.325 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 40 63.454 -21.998 5.227 1.00 0.00 H new ATOM 633 N ASP A 41 61.121 -22.940 5.057 1.00 0.00 N ATOM 634 CA ASP A 41 60.434 -24.142 5.547 1.00 0.00 C ATOM 635 C ASP A 41 60.372 -24.107 7.073 1.00 0.00 C ATOM 636 O ASP A 41 60.770 -25.061 7.737 1.00 0.00 O ATOM 637 CB ASP A 41 61.197 -25.387 5.090 1.00 0.00 C ATOM 638 CG ASP A 41 62.630 -25.346 5.611 1.00 0.00 C ATOM 639 OD1 ASP A 41 63.036 -24.301 6.093 1.00 0.00 O ATOM 640 OD2 ASP A 41 63.303 -26.358 5.511 1.00 0.00 O ATOM 0 H ASP A 41 62.139 -22.995 5.083 1.00 0.00 H new ATOM 0 HA ASP A 41 59.421 -24.172 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.695 -26.284 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 41 61.199 -25.442 4.001 1.00 0.00 H new ATOM 645 N LYS A 42 59.894 -22.982 7.617 1.00 0.00 N ATOM 646 CA LYS A 42 59.806 -22.804 9.063 1.00 0.00 C ATOM 647 C LYS A 42 61.202 -22.776 9.674 1.00 0.00 C ATOM 648 O LYS A 42 61.407 -23.237 10.798 1.00 0.00 O ATOM 649 CB LYS A 42 58.988 -23.932 9.711 1.00 0.00 C ATOM 650 CG LYS A 42 57.655 -24.135 8.971 1.00 0.00 C ATOM 651 CD LYS A 42 56.700 -22.964 9.229 1.00 0.00 C ATOM 652 CE LYS A 42 55.369 -23.243 8.532 1.00 0.00 C ATOM 653 NZ LYS A 42 54.441 -22.097 8.747 1.00 0.00 N ATOM 0 H LYS A 42 59.563 -22.184 7.074 1.00 0.00 H new ATOM 0 HA LYS A 42 59.303 -21.856 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.562 -24.858 9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.796 -23.693 10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 42 57.840 -24.229 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.192 -25.066 9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.544 -22.835 10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.133 -22.036 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.531 -23.397 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 42 54.927 -24.160 8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 53.536 -22.289 8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 54.277 -21.970 9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 54.862 -21.231 8.353 1.00 0.00 H new ATOM 667 N VAL A 43 62.155 -22.210 8.931 1.00 0.00 N ATOM 668 CA VAL A 43 63.539 -22.094 9.395 1.00 0.00 C ATOM 669 C VAL A 43 63.996 -20.648 9.269 1.00 0.00 C ATOM 670 O VAL A 43 63.739 -19.990 8.262 1.00 0.00 O ATOM 671 CB VAL A 43 64.459 -22.986 8.565 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.899 -22.844 9.059 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.022 -24.444 8.692 1.00 0.00 C ATOM 0 H VAL A 43 61.992 -21.823 8.001 1.00 0.00 H new ATOM 0 HA VAL A 43 63.586 -22.411 10.437 1.00 0.00 H new ATOM 0 HB VAL A 43 64.401 -22.681 7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.552 -23.482 8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.217 -21.806 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.956 -23.142 10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.683 -25.075 8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.073 -24.749 9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 43 62.999 -24.550 8.332 1.00 0.00 H new ATOM 683 N THR A 44 64.666 -20.151 10.298 1.00 0.00 N ATOM 684 CA THR A 44 65.150 -18.765 10.296 1.00 0.00 C ATOM 685 C THR A 44 66.622 -18.711 9.893 1.00 0.00 C ATOM 686 O THR A 44 67.483 -19.262 10.577 1.00 0.00 O ATOM 687 CB THR A 44 64.985 -18.148 11.691 1.00 0.00 C ATOM 688 OG1 THR A 44 63.731 -18.532 12.236 1.00 0.00 O ATOM 689 CG2 THR A 44 65.051 -16.618 11.605 1.00 0.00 C ATOM 0 H THR A 44 64.889 -20.677 11.143 1.00 0.00 H new ATOM 0 HA THR A 44 64.562 -18.199 9.574 1.00 0.00 H new ATOM 0 HB THR A 44 65.791 -18.506 12.331 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.628 -18.139 13.128 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.933 -16.192 12.601 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.015 -16.318 11.194 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.252 -16.255 10.958 1.00 0.00 H new ATOM 697 N VAL A 45 66.898 -18.034 8.778 1.00 0.00 N ATOM 698 CA VAL A 45 68.270 -17.892 8.279 1.00 0.00 C ATOM 699 C VAL A 45 68.626 -16.417 8.122 1.00 0.00 C ATOM 700 O VAL A 45 67.861 -15.638 7.545 1.00 0.00 O ATOM 701 CB VAL A 45 68.427 -18.614 6.936 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.160 -20.104 7.131 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.441 -18.044 5.917 1.00 0.00 C ATOM 0 H VAL A 45 66.192 -17.575 8.202 1.00 0.00 H new ATOM 0 HA VAL A 45 68.949 -18.344 9.002 1.00 0.00 H new ATOM 0 HB VAL A 45 69.442 -18.469 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.271 -20.621 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.872 -20.510 7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.146 -20.246 7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.560 -18.563 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.422 -18.181 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.636 -16.981 5.777 1.00 0.00 H new ATOM 713 N LYS A 46 69.788 -16.040 8.648 1.00 0.00 N ATOM 714 CA LYS A 46 70.253 -14.653 8.580 1.00 0.00 C ATOM 715 C LYS A 46 71.146 -14.456 7.360 1.00 0.00 C ATOM 716 O LYS A 46 72.001 -15.288 7.063 1.00 0.00 O ATOM 717 CB LYS A 46 71.035 -14.310 9.855 1.00 0.00 C ATOM 718 CG LYS A 46 70.076 -14.260 11.051 1.00 0.00 C ATOM 719 CD LYS A 46 70.873 -13.984 12.327 1.00 0.00 C ATOM 720 CE LYS A 46 69.916 -13.933 13.520 1.00 0.00 C ATOM 721 NZ LYS A 46 70.684 -13.664 14.767 1.00 0.00 N ATOM 0 H LYS A 46 70.427 -16.674 9.127 1.00 0.00 H new ATOM 0 HA LYS A 46 69.390 -13.993 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.811 -15.056 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.537 -13.349 9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.328 -13.481 10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.539 -15.204 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.620 -14.763 12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.411 -13.040 12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 46 69.169 -13.154 13.366 1.00 0.00 H new ATOM 0 HE3 LYS A 46 69.379 -14.877 13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.031 -13.630 15.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.381 -14.422 14.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.177 -12.752 14.681 1.00 0.00 H new ATOM 735 N ILE A 47 70.925 -13.346 6.653 1.00 0.00 N ATOM 736 CA ILE A 47 71.702 -13.029 5.451 1.00 0.00 C ATOM 737 C ILE A 47 72.009 -11.526 5.387 1.00 0.00 C ATOM 738 O ILE A 47 71.186 -10.751 4.901 1.00 0.00 O ATOM 739 CB ILE A 47 70.901 -13.435 4.212 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.403 -14.874 4.384 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.792 -13.346 2.967 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.758 -15.357 3.081 1.00 0.00 C ATOM 0 H ILE A 47 70.216 -12.652 6.891 1.00 0.00 H new ATOM 0 HA ILE A 47 72.643 -13.577 5.486 1.00 0.00 H new ATOM 0 HB ILE A 47 70.051 -12.763 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.233 -15.527 4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 47 69.681 -14.924 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.218 -13.636 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.148 -12.323 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.644 -14.016 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.405 -16.381 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.916 -14.711 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.493 -15.323 2.277 1.00 0.00 H new ATOM 754 N PRO A 48 73.163 -11.092 5.848 1.00 0.00 N ATOM 755 CA PRO A 48 73.540 -9.642 5.806 1.00 0.00 C ATOM 756 C PRO A 48 73.503 -9.096 4.371 1.00 0.00 C ATOM 757 O PRO A 48 73.828 -9.811 3.423 1.00 0.00 O ATOM 758 CB PRO A 48 74.969 -9.610 6.389 1.00 0.00 C ATOM 759 CG PRO A 48 75.099 -10.876 7.173 1.00 0.00 C ATOM 760 CD PRO A 48 74.216 -11.907 6.471 1.00 0.00 C ATOM 0 HA PRO A 48 72.849 -9.014 6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.716 -9.558 5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 48 75.116 -8.736 7.024 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.136 -11.209 7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 48 74.780 -10.729 8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.776 -12.475 5.728 1.00 0.00 H new ATOM 0 HD3 PRO A 48 73.801 -12.627 7.177 1.00 0.00 H new ATOM 768 N SER A 49 73.100 -7.834 4.226 1.00 0.00 N ATOM 769 CA SER A 49 73.015 -7.207 2.910 1.00 0.00 C ATOM 770 C SER A 49 74.411 -7.088 2.278 1.00 0.00 C ATOM 771 O SER A 49 75.249 -6.351 2.798 1.00 0.00 O ATOM 772 CB SER A 49 72.416 -5.812 3.063 1.00 0.00 C ATOM 773 OG SER A 49 71.998 -5.332 1.791 1.00 0.00 O ATOM 0 H SER A 49 72.829 -7.229 5.001 1.00 0.00 H new ATOM 0 HA SER A 49 72.388 -7.822 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 49 71.569 -5.842 3.748 1.00 0.00 H new ATOM 0 HB3 SER A 49 73.152 -5.134 3.495 1.00 0.00 H new ATOM 0 HG SER A 49 72.774 -4.989 1.300 1.00 0.00 H new ATOM 779 N PRO A 50 74.710 -7.793 1.199 1.00 0.00 N ATOM 780 CA PRO A 50 76.069 -7.712 0.580 1.00 0.00 C ATOM 781 C PRO A 50 76.390 -6.342 -0.046 1.00 0.00 C ATOM 782 O PRO A 50 77.559 -5.987 -0.187 1.00 0.00 O ATOM 783 CB PRO A 50 76.066 -8.835 -0.479 1.00 0.00 C ATOM 784 CG PRO A 50 74.624 -9.092 -0.794 1.00 0.00 C ATOM 785 CD PRO A 50 73.824 -8.728 0.463 1.00 0.00 C ATOM 0 HA PRO A 50 76.848 -7.832 1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 50 76.614 -8.533 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 50 76.550 -9.734 -0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 50 74.301 -8.492 -1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 50 74.467 -10.137 -1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.874 -8.259 0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 50 73.594 -9.611 1.059 1.00 0.00 H new ATOM 793 N VAL A 51 75.357 -5.583 -0.435 1.00 0.00 N ATOM 794 CA VAL A 51 75.562 -4.272 -1.059 1.00 0.00 C ATOM 795 C VAL A 51 74.590 -3.237 -0.469 1.00 0.00 C ATOM 796 O VAL A 51 73.379 -3.455 -0.471 1.00 0.00 O ATOM 797 CB VAL A 51 75.332 -4.409 -2.573 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.027 -3.275 -3.334 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.900 -5.749 -3.054 1.00 0.00 C ATOM 0 H VAL A 51 74.379 -5.853 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 51 76.579 -3.930 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 51 74.260 -4.359 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.851 -3.393 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.627 -2.316 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.099 -3.308 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.738 -5.849 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.969 -5.788 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 51 75.398 -6.565 -2.534 1.00 0.00 H new ATOM 809 N ARG A 52 75.119 -2.116 0.045 1.00 0.00 N ATOM 810 CA ARG A 52 74.285 -1.063 0.642 1.00 0.00 C ATOM 811 C ARG A 52 74.712 0.314 0.147 1.00 0.00 C ATOM 812 O ARG A 52 75.856 0.512 -0.264 1.00 0.00 O ATOM 813 CB ARG A 52 74.397 -1.124 2.166 1.00 0.00 C ATOM 814 CG ARG A 52 73.781 -2.428 2.695 1.00 0.00 C ATOM 815 CD ARG A 52 72.269 -2.472 2.402 1.00 0.00 C ATOM 816 NE ARG A 52 71.579 -3.302 3.384 1.00 0.00 N ATOM 817 CZ ARG A 52 70.304 -3.642 3.210 1.00 0.00 C ATOM 818 NH1 ARG A 52 69.653 -3.207 2.167 1.00 0.00 N ATOM 819 NH2 ARG A 52 69.699 -4.402 4.083 1.00 0.00 N ATOM 0 H ARG A 52 76.119 -1.916 0.059 1.00 0.00 H new ATOM 0 HA ARG A 52 73.250 -1.228 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 52 75.444 -1.062 2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 52 73.889 -0.268 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 52 74.272 -3.283 2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 52 73.951 -2.508 3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 52 71.860 -1.462 2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 52 72.099 -2.867 1.400 1.00 0.00 H new ATOM 0 HE ARG A 52 72.079 -3.625 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 52 70.121 -2.608 1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 52 68.676 -3.466 2.031 1.00 0.00 H new ATOM 0 HH21 ARG A 52 70.204 -4.738 4.903 1.00 0.00 H new ATOM 0 HH22 ARG A 52 68.722 -4.659 3.945 1.00 0.00 H new ATOM 833 N GLY A 53 73.773 1.259 0.185 1.00 0.00 N ATOM 834 CA GLY A 53 74.033 2.619 -0.267 1.00 0.00 C ATOM 835 C GLY A 53 72.801 3.493 -0.034 1.00 0.00 C ATOM 836 O GLY A 53 72.696 4.165 0.991 1.00 0.00 O ATOM 0 H GLY A 53 72.824 1.104 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.888 3.032 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 53 74.291 2.616 -1.326 1.00 0.00 H new ATOM 840 N LYS A 54 71.858 3.467 -0.984 1.00 0.00 N ATOM 841 CA LYS A 54 70.626 4.256 -0.860 1.00 0.00 C ATOM 842 C LYS A 54 69.401 3.383 -1.124 1.00 0.00 C ATOM 843 O LYS A 54 69.383 2.590 -2.066 1.00 0.00 O ATOM 844 CB LYS A 54 70.652 5.419 -1.859 1.00 0.00 C ATOM 845 CG LYS A 54 71.748 6.406 -1.456 1.00 0.00 C ATOM 846 CD LYS A 54 71.786 7.578 -2.438 1.00 0.00 C ATOM 847 CE LYS A 54 72.847 8.580 -1.979 1.00 0.00 C ATOM 848 NZ LYS A 54 74.193 7.943 -2.050 1.00 0.00 N ATOM 0 H LYS A 54 71.923 2.914 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 54 70.566 4.648 0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.836 5.045 -2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.684 5.920 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.564 6.773 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.714 5.902 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 54 72.015 7.220 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 54 70.810 8.060 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.820 9.469 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 54 72.639 8.905 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 74.855 8.584 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 74.537 7.750 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 74.127 7.050 -2.579 1.00 0.00 H new ATOM 862 N ILE A 55 68.367 3.544 -0.296 1.00 0.00 N ATOM 863 CA ILE A 55 67.128 2.776 -0.455 1.00 0.00 C ATOM 864 C ILE A 55 66.054 3.688 -1.059 1.00 0.00 C ATOM 865 O ILE A 55 65.722 4.723 -0.482 1.00 0.00 O ATOM 866 CB ILE A 55 66.676 2.254 0.919 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.896 1.765 1.721 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.693 1.095 0.754 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.695 0.719 0.930 1.00 0.00 C ATOM 0 H ILE A 55 68.361 4.196 0.488 1.00 0.00 H new ATOM 0 HA ILE A 55 67.291 1.926 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 55 66.185 3.069 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.539 2.611 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.565 1.335 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.383 0.738 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.819 1.436 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.175 0.284 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.551 0.392 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 55 68.057 -0.137 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 55 69.046 1.159 -0.004 1.00 0.00 H new ATOM 881 N VAL A 56 65.553 3.331 -2.244 1.00 0.00 N ATOM 882 CA VAL A 56 64.561 4.166 -2.938 1.00 0.00 C ATOM 883 C VAL A 56 63.119 3.848 -2.516 1.00 0.00 C ATOM 884 O VAL A 56 62.363 4.755 -2.168 1.00 0.00 O ATOM 885 CB VAL A 56 64.719 3.985 -4.466 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.482 4.513 -5.212 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.964 4.748 -4.942 1.00 0.00 C ATOM 0 H VAL A 56 65.812 2.479 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 56 64.750 5.202 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 56 64.825 2.922 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.617 4.374 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.598 3.966 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.352 5.574 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.078 4.622 -6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.852 5.807 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.846 4.357 -4.436 1.00 0.00 H new ATOM 897 N LYS A 57 62.723 2.578 -2.576 1.00 0.00 N ATOM 898 CA LYS A 57 61.345 2.227 -2.221 1.00 0.00 C ATOM 899 C LYS A 57 61.205 0.740 -1.896 1.00 0.00 C ATOM 900 O LYS A 57 61.988 -0.088 -2.362 1.00 0.00 O ATOM 901 CB LYS A 57 60.416 2.611 -3.394 1.00 0.00 C ATOM 902 CG LYS A 57 58.946 2.239 -3.118 1.00 0.00 C ATOM 903 CD LYS A 57 58.387 3.069 -1.955 1.00 0.00 C ATOM 904 CE LYS A 57 56.863 2.926 -1.913 1.00 0.00 C ATOM 905 NZ LYS A 57 56.499 1.527 -1.551 1.00 0.00 N ATOM 0 H LYS A 57 63.313 1.795 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 57 61.064 2.778 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.489 3.683 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.752 2.109 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.348 2.409 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.872 1.177 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.821 2.733 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.662 4.117 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.443 3.621 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.437 3.183 -2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.936 1.105 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 57.365 0.968 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.942 1.529 -0.673 1.00 0.00 H new ATOM 919 N ILE A 58 60.198 0.416 -1.082 1.00 0.00 N ATOM 920 CA ILE A 58 59.937 -0.960 -0.672 1.00 0.00 C ATOM 921 C ILE A 58 58.670 -1.495 -1.358 1.00 0.00 C ATOM 922 O ILE A 58 57.590 -0.920 -1.229 1.00 0.00 O ATOM 923 CB ILE A 58 59.780 -0.974 0.858 1.00 0.00 C ATOM 924 CG1 ILE A 58 60.017 -2.383 1.405 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.378 -0.480 1.256 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.521 -2.482 2.856 1.00 0.00 C ATOM 0 H ILE A 58 59.546 1.097 -0.692 1.00 0.00 H new ATOM 0 HA ILE A 58 60.763 -1.607 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 58 60.523 -0.303 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.497 -3.113 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 58 61.079 -2.624 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.281 -0.495 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.234 0.538 0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.624 -1.132 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.696 -3.490 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 58 60.061 -1.765 3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.454 -2.261 2.892 1.00 0.00 H new ATOM 938 N LEU A 59 58.815 -2.597 -2.099 1.00 0.00 N ATOM 939 CA LEU A 59 57.682 -3.199 -2.812 1.00 0.00 C ATOM 940 C LEU A 59 57.080 -4.359 -2.015 1.00 0.00 C ATOM 941 O LEU A 59 55.957 -4.782 -2.288 1.00 0.00 O ATOM 942 CB LEU A 59 58.147 -3.712 -4.180 1.00 0.00 C ATOM 943 CG LEU A 59 58.628 -2.543 -5.058 1.00 0.00 C ATOM 944 CD1 LEU A 59 59.236 -3.103 -6.350 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.452 -1.614 -5.410 1.00 0.00 C ATOM 0 H LEU A 59 59.700 -3.089 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 59 56.917 -2.433 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.954 -4.433 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.329 -4.235 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 59 59.375 -1.970 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.579 -2.280 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 59 60.079 -3.749 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.482 -3.679 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.810 -0.793 -6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.694 -2.177 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 59 57.018 -1.213 -4.494 1.00 0.00 H new ATOM 957 N TYR A 60 57.835 -4.877 -1.046 1.00 0.00 N ATOM 958 CA TYR A 60 57.377 -6.005 -0.220 1.00 0.00 C ATOM 959 C TYR A 60 57.029 -5.536 1.191 1.00 0.00 C ATOM 960 O TYR A 60 57.705 -4.676 1.757 1.00 0.00 O ATOM 961 CB TYR A 60 58.481 -7.084 -0.158 1.00 0.00 C ATOM 962 CG TYR A 60 58.387 -7.997 -1.376 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.494 -7.459 -2.669 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.176 -9.381 -1.214 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.403 -8.303 -3.786 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.086 -10.213 -2.333 1.00 0.00 C ATOM 967 CZ TYR A 60 58.200 -9.677 -3.617 1.00 0.00 C ATOM 968 OH TYR A 60 58.119 -10.505 -4.718 1.00 0.00 O ATOM 0 H TYR A 60 58.767 -4.537 -0.810 1.00 0.00 H new ATOM 0 HA TYR A 60 56.480 -6.427 -0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.462 -6.611 -0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.377 -7.670 0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.646 -6.398 -2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.084 -9.799 -0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.490 -7.890 -4.780 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.928 -11.274 -2.204 1.00 0.00 H new ATOM 0 HH TYR A 60 57.977 -11.429 -4.423 1.00 0.00 H new ATOM 978 N ARG A 61 55.963 -6.114 1.752 1.00 0.00 N ATOM 979 CA ARG A 61 55.510 -5.767 3.101 1.00 0.00 C ATOM 980 C ARG A 61 55.475 -7.009 3.990 1.00 0.00 C ATOM 981 O ARG A 61 55.498 -8.141 3.507 1.00 0.00 O ATOM 982 CB ARG A 61 54.111 -5.152 3.051 1.00 0.00 C ATOM 983 CG ARG A 61 54.142 -3.844 2.255 1.00 0.00 C ATOM 984 CD ARG A 61 52.733 -3.253 2.215 1.00 0.00 C ATOM 985 NE ARG A 61 51.849 -4.136 1.457 1.00 0.00 N ATOM 986 CZ ARG A 61 51.791 -4.074 0.128 1.00 0.00 C ATOM 987 NH1 ARG A 61 52.515 -3.197 -0.512 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.018 -4.884 -0.540 1.00 0.00 N ATOM 0 H ARG A 61 55.397 -6.826 1.291 1.00 0.00 H new ATOM 0 HA ARG A 61 56.212 -5.044 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.414 -5.851 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.751 -4.963 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.833 -3.139 2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.502 -4.028 1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.353 -3.125 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.756 -2.265 1.756 1.00 0.00 H new ATOM 0 HE ARG A 61 51.267 -4.811 1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 61 53.123 -2.562 0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 61 52.473 -3.147 -1.530 1.00 0.00 H new ATOM 0 HH21 ARG A 61 50.451 -5.572 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 61 50.980 -4.829 -1.558 1.00 0.00 H new ATOM 1002 N GLU A 62 55.442 -6.775 5.295 1.00 0.00 N ATOM 1003 CA GLU A 62 55.426 -7.854 6.280 1.00 0.00 C ATOM 1004 C GLU A 62 54.297 -8.855 6.020 1.00 0.00 C ATOM 1005 O GLU A 62 53.151 -8.469 5.786 1.00 0.00 O ATOM 1006 CB GLU A 62 55.222 -7.262 7.677 1.00 0.00 C ATOM 1007 CG GLU A 62 56.372 -6.302 8.030 1.00 0.00 C ATOM 1008 CD GLU A 62 56.098 -4.905 7.471 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.106 -4.745 6.778 1.00 0.00 O ATOM 1010 OE2 GLU A 62 56.879 -4.012 7.753 1.00 0.00 O ATOM 0 H GLU A 62 55.426 -5.839 5.701 1.00 0.00 H new ATOM 0 HA GLU A 62 56.379 -8.377 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.271 -6.730 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.171 -8.064 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 62 56.490 -6.250 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.309 -6.684 7.625 1.00 0.00 H new ATOM 1017 N GLY A 63 54.626 -10.146 6.103 1.00 0.00 N ATOM 1018 CA GLY A 63 53.616 -11.199 5.917 1.00 0.00 C ATOM 1019 C GLY A 63 53.410 -11.564 4.450 1.00 0.00 C ATOM 1020 O GLY A 63 52.507 -12.336 4.127 1.00 0.00 O ATOM 0 H GLY A 63 55.568 -10.488 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.918 -12.089 6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.668 -10.867 6.341 1.00 0.00 H new ATOM 1024 N GLN A 64 54.219 -11.015 3.548 1.00 0.00 N ATOM 1025 CA GLN A 64 54.049 -11.329 2.126 1.00 0.00 C ATOM 1026 C GLN A 64 54.795 -12.599 1.743 1.00 0.00 C ATOM 1027 O GLN A 64 55.954 -12.794 2.108 1.00 0.00 O ATOM 1028 CB GLN A 64 54.521 -10.167 1.247 1.00 0.00 C ATOM 1029 CG GLN A 64 53.519 -9.014 1.336 1.00 0.00 C ATOM 1030 CD GLN A 64 53.933 -7.907 0.377 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.889 -8.074 -0.379 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.278 -6.779 0.366 1.00 0.00 N ATOM 0 H GLN A 64 54.978 -10.369 3.763 1.00 0.00 H new ATOM 0 HA GLN A 64 52.984 -11.490 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.506 -9.831 1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.620 -10.497 0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.518 -9.368 1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.479 -8.631 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.486 -6.643 0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.558 -6.033 -0.270 1.00 0.00 H new ATOM 1041 N VAL A 65 54.099 -13.451 0.998 1.00 0.00 N ATOM 1042 CA VAL A 65 54.648 -14.722 0.534 1.00 0.00 C ATOM 1043 C VAL A 65 54.588 -14.769 -0.985 1.00 0.00 C ATOM 1044 O VAL A 65 53.522 -14.599 -1.575 1.00 0.00 O ATOM 1045 CB VAL A 65 53.821 -15.863 1.123 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.373 -15.776 0.623 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.420 -17.211 0.714 1.00 0.00 C ATOM 0 H VAL A 65 53.139 -13.281 0.698 1.00 0.00 H new ATOM 0 HA VAL A 65 55.685 -14.822 0.854 1.00 0.00 H new ATOM 0 HB VAL A 65 53.833 -15.778 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.791 -16.594 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 65 51.939 -14.824 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.359 -15.848 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.823 -18.018 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.421 -17.294 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.443 -17.282 1.084 1.00 0.00 H new ATOM 1057 N VAL A 66 55.740 -14.998 -1.620 1.00 0.00 N ATOM 1058 CA VAL A 66 55.795 -15.053 -3.088 1.00 0.00 C ATOM 1059 C VAL A 66 56.892 -16.024 -3.583 1.00 0.00 C ATOM 1060 O VAL A 66 58.007 -15.995 -3.063 1.00 0.00 O ATOM 1061 CB VAL A 66 56.094 -13.650 -3.637 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.707 -13.569 -5.115 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.302 -12.598 -2.854 1.00 0.00 C ATOM 0 H VAL A 66 56.635 -15.146 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 66 54.830 -15.413 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 66 57.161 -13.458 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.923 -12.570 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.279 -14.304 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.642 -13.776 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.521 -11.607 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.235 -12.800 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.585 -12.638 -1.802 1.00 0.00 H new ATOM 1073 N PRO A 67 56.635 -16.855 -4.593 1.00 0.00 N ATOM 1074 CA PRO A 67 57.678 -17.792 -5.137 1.00 0.00 C ATOM 1075 C PRO A 67 58.920 -17.045 -5.652 1.00 0.00 C ATOM 1076 O PRO A 67 58.834 -15.894 -6.076 1.00 0.00 O ATOM 1077 CB PRO A 67 56.971 -18.528 -6.299 1.00 0.00 C ATOM 1078 CG PRO A 67 55.504 -18.330 -6.082 1.00 0.00 C ATOM 1079 CD PRO A 67 55.348 -17.012 -5.325 1.00 0.00 C ATOM 0 HA PRO A 67 58.044 -18.467 -4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.281 -18.124 -7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 67 57.225 -19.588 -6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.973 -18.296 -7.033 1.00 0.00 H new ATOM 0 HG3 PRO A 67 55.082 -19.157 -5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.174 -16.180 -6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.501 -17.045 -4.639 1.00 0.00 H new ATOM 1087 N VAL A 68 60.067 -17.723 -5.615 1.00 0.00 N ATOM 1088 CA VAL A 68 61.328 -17.128 -6.085 1.00 0.00 C ATOM 1089 C VAL A 68 61.178 -16.602 -7.512 1.00 0.00 C ATOM 1090 O VAL A 68 60.657 -17.294 -8.388 1.00 0.00 O ATOM 1091 CB VAL A 68 62.445 -18.187 -6.053 1.00 0.00 C ATOM 1092 CG1 VAL A 68 63.731 -17.635 -6.683 1.00 0.00 C ATOM 1093 CG2 VAL A 68 62.722 -18.595 -4.609 1.00 0.00 C ATOM 0 H VAL A 68 60.154 -18.678 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 68 61.583 -16.298 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 68 62.118 -19.055 -6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 68 64.509 -18.398 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 68 63.538 -17.357 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 68 64.061 -16.757 -6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 68 63.513 -19.345 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.035 -17.721 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 68 61.816 -19.011 -4.168 1.00 0.00 H new ATOM 1103 N GLY A 69 61.654 -15.373 -7.737 1.00 0.00 N ATOM 1104 CA GLY A 69 61.593 -14.747 -9.064 1.00 0.00 C ATOM 1105 C GLY A 69 60.933 -13.369 -9.012 1.00 0.00 C ATOM 1106 O GLY A 69 60.003 -13.097 -9.769 1.00 0.00 O ATOM 0 H GLY A 69 62.086 -14.792 -7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.601 -14.652 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.036 -15.391 -9.745 1.00 0.00 H new ATOM 1110 N SER A 70 61.412 -12.499 -8.117 1.00 0.00 N ATOM 1111 CA SER A 70 60.833 -11.161 -7.998 1.00 0.00 C ATOM 1112 C SER A 70 61.847 -10.164 -7.445 1.00 0.00 C ATOM 1113 O SER A 70 62.910 -10.547 -6.954 1.00 0.00 O ATOM 1114 CB SER A 70 59.626 -11.207 -7.066 1.00 0.00 C ATOM 1115 OG SER A 70 58.694 -12.162 -7.555 1.00 0.00 O ATOM 0 H SER A 70 62.183 -12.693 -7.478 1.00 0.00 H new ATOM 0 HA SER A 70 60.532 -10.836 -8.994 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.941 -11.472 -6.057 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.160 -10.224 -7.006 1.00 0.00 H new ATOM 0 HG SER A 70 57.932 -12.220 -6.941 1.00 0.00 H new ATOM 1121 N THR A 71 61.494 -8.879 -7.510 1.00 0.00 N ATOM 1122 CA THR A 71 62.359 -7.813 -7.002 1.00 0.00 C ATOM 1123 C THR A 71 61.810 -7.312 -5.670 1.00 0.00 C ATOM 1124 O THR A 71 60.745 -6.699 -5.614 1.00 0.00 O ATOM 1125 CB THR A 71 62.399 -6.660 -8.021 1.00 0.00 C ATOM 1126 OG1 THR A 71 63.270 -7.002 -9.090 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.901 -5.371 -7.358 1.00 0.00 C ATOM 0 H THR A 71 60.615 -8.551 -7.910 1.00 0.00 H new ATOM 0 HA THR A 71 63.369 -8.194 -6.854 1.00 0.00 H new ATOM 0 HB THR A 71 61.390 -6.495 -8.398 1.00 0.00 H new ATOM 0 HG1 THR A 71 63.294 -6.269 -9.740 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.922 -4.568 -8.094 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.232 -5.098 -6.542 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.906 -5.531 -6.966 1.00 0.00 H new ATOM 1135 N LEU A 72 62.546 -7.583 -4.599 1.00 0.00 N ATOM 1136 CA LEU A 72 62.124 -7.160 -3.268 1.00 0.00 C ATOM 1137 C LEU A 72 62.297 -5.656 -3.077 1.00 0.00 C ATOM 1138 O LEU A 72 61.424 -4.983 -2.528 1.00 0.00 O ATOM 1139 CB LEU A 72 62.966 -7.879 -2.214 1.00 0.00 C ATOM 1140 CG LEU A 72 62.723 -9.393 -2.264 1.00 0.00 C ATOM 1141 CD1 LEU A 72 63.680 -10.079 -1.284 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.262 -9.711 -1.888 1.00 0.00 C ATOM 0 H LEU A 72 63.431 -8.090 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 72 61.068 -7.409 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.023 -7.670 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.719 -7.499 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 72 62.904 -9.760 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 72 63.517 -11.156 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.710 -9.861 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.495 -9.709 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.102 -10.789 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.059 -9.351 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.590 -9.219 -2.591 1.00 0.00 H new ATOM 1154 N LEU A 73 63.449 -5.144 -3.496 1.00 0.00 N ATOM 1155 CA LEU A 73 63.764 -3.728 -3.330 1.00 0.00 C ATOM 1156 C LEU A 73 64.743 -3.280 -4.418 1.00 0.00 C ATOM 1157 O LEU A 73 65.591 -4.057 -4.857 1.00 0.00 O ATOM 1158 CB LEU A 73 64.393 -3.551 -1.936 1.00 0.00 C ATOM 1159 CG LEU A 73 64.188 -2.134 -1.376 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.742 -2.099 0.057 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.920 -1.084 -2.245 1.00 0.00 C ATOM 0 H LEU A 73 64.181 -5.688 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 73 62.864 -3.120 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.957 -4.277 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.460 -3.766 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 73 63.125 -1.892 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.607 -1.101 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.209 -2.825 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.804 -2.346 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.759 -0.090 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.988 -1.303 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.530 -1.118 -3.262 1.00 0.00 H new ATOM 1173 N GLN A 74 64.637 -2.023 -4.842 1.00 0.00 N ATOM 1174 CA GLN A 74 65.536 -1.483 -5.867 1.00 0.00 C ATOM 1175 C GLN A 74 66.582 -0.595 -5.198 1.00 0.00 C ATOM 1176 O GLN A 74 66.260 0.204 -4.317 1.00 0.00 O ATOM 1177 CB GLN A 74 64.745 -0.672 -6.898 1.00 0.00 C ATOM 1178 CG GLN A 74 65.685 -0.213 -8.016 1.00 0.00 C ATOM 1179 CD GLN A 74 64.920 0.612 -9.046 1.00 0.00 C ATOM 1180 OE1 GLN A 74 64.378 1.667 -8.719 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.848 0.188 -10.278 1.00 0.00 N ATOM 0 H GLN A 74 63.943 -1.360 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 74 66.029 -2.307 -6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.939 -1.278 -7.312 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.282 0.191 -6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.498 0.380 -7.596 1.00 0.00 H new ATOM 0 HG3 GLN A 74 66.138 -1.079 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 74 65.299 -0.687 -10.543 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.340 0.732 -10.976 1.00 0.00 H new ATOM 1190 N ILE A 75 67.846 -0.785 -5.577 1.00 0.00 N ATOM 1191 CA ILE A 75 68.954 -0.036 -4.970 1.00 0.00 C ATOM 1192 C ILE A 75 69.817 0.654 -6.021 1.00 0.00 C ATOM 1193 O ILE A 75 70.280 0.030 -6.976 1.00 0.00 O ATOM 1194 CB ILE A 75 69.810 -1.020 -4.163 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.976 -1.622 -3.012 1.00 0.00 C ATOM 1196 CG2 ILE A 75 71.039 -0.318 -3.572 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.596 -2.945 -2.546 1.00 0.00 C ATOM 0 H ILE A 75 68.131 -1.448 -6.298 1.00 0.00 H new ATOM 0 HA ILE A 75 68.542 0.743 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 75 70.141 -1.810 -4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.931 -0.920 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.951 -1.789 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.630 -1.036 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.645 0.094 -4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.716 0.488 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.999 -3.360 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.618 -3.649 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.612 -2.767 -2.195 1.00 0.00 H new ATOM 1209 N ASP A 76 70.048 1.949 -5.818 1.00 0.00 N ATOM 1210 CA ASP A 76 70.882 2.738 -6.734 1.00 0.00 C ATOM 1211 C ASP A 76 72.312 2.813 -6.203 1.00 0.00 C ATOM 1212 O ASP A 76 72.569 3.444 -5.177 1.00 0.00 O ATOM 1213 CB ASP A 76 70.319 4.154 -6.875 1.00 0.00 C ATOM 1214 CG ASP A 76 69.019 4.115 -7.669 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.715 3.067 -8.215 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.350 5.133 -7.731 1.00 0.00 O ATOM 0 H ASP A 76 69.672 2.477 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 76 70.881 2.253 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.141 4.585 -5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 76 71.044 4.795 -7.377 1.00 0.00 H new ATOM 1221 N THR A 77 73.239 2.167 -6.900 1.00 0.00 N ATOM 1222 CA THR A 77 74.635 2.167 -6.478 1.00 0.00 C ATOM 1223 C THR A 77 75.265 3.533 -6.729 1.00 0.00 C ATOM 1224 O THR A 77 76.012 3.653 -7.686 1.00 0.00 O ATOM 1225 CB THR A 77 75.403 1.092 -7.249 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.677 -0.128 -7.212 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.784 0.888 -6.623 1.00 0.00 C ATOM 1228 OXT THR A 77 74.986 4.442 -5.965 1.00 0.00 O ATOM 0 H THR A 77 73.052 1.640 -7.753 1.00 0.00 H new ATOM 0 HA THR A 77 74.682 1.952 -5.410 1.00 0.00 H new ATOM 0 HB THR A 77 75.525 1.411 -8.284 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.168 -0.816 -7.707 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.325 0.121 -7.177 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.342 1.824 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.670 0.574 -5.586 1.00 0.00 H new