USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 716 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.327 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.107 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 17 HIS : no HD1:sc= -0.0378 K(o=-0.038,f=-0.88) USER MOD Single : A 21 GLN : amide:sc= -0.707 X(o=-0.71,f=-0.21) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 55 ASN : amide:sc= -0.97 K(o=-0.97,f=-5.9!) USER MOD Single : A 57 GLN : amide:sc= -1.35 K(o=-1.4,f=-0.76) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00425 USER MOD Single : A 64 HIS : no HD1:sc= -0.0972 K(o=-0.097,f=-1.9!) USER MOD Single : A 72 THR OG1 : rot 80:sc= 1.08 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.024) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00258 USER MOD Single : A 83 MET CE :methyl 171:sc= -0.0319 (180deg=-0.149) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.0401 USER MOD Single : A 92 THR OG1 : rot 10:sc= 0.666 USER MOD Single : A 94 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.729 10.870 -12.555 1.00 0.00 N ATOM 2 CA GLY A 1 -2.531 10.916 -13.764 1.00 0.00 C ATOM 3 C GLY A 1 -1.704 11.224 -14.997 1.00 0.00 C ATOM 4 O GLY A 1 -1.139 12.311 -15.118 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.340 10.656 -11.741 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.004 10.130 -12.647 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.268 11.791 -12.409 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.035 9.959 -13.898 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.307 11.673 -13.653 1.00 0.00 H new ATOM 8 N SER A 2 -1.630 10.264 -15.913 1.00 0.00 N ATOM 9 CA SER A 2 -0.861 10.436 -17.141 1.00 0.00 C ATOM 10 C SER A 2 -1.768 10.361 -18.365 1.00 0.00 C ATOM 11 O SER A 2 -2.521 9.402 -18.535 1.00 0.00 O ATOM 12 CB SER A 2 0.233 9.371 -17.236 1.00 0.00 C ATOM 13 OG SER A 2 -0.326 8.069 -17.280 1.00 0.00 O ATOM 0 H SER A 2 -2.093 9.359 -15.829 1.00 0.00 H new ATOM 0 HA SER A 2 -0.397 11.422 -17.115 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.835 9.542 -18.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.902 9.454 -16.379 1.00 0.00 H new ATOM 0 HG SER A 2 -1.236 8.116 -17.641 1.00 0.00 H new ATOM 19 N SER A 3 -1.690 11.379 -19.215 1.00 0.00 N ATOM 20 CA SER A 3 -2.506 11.432 -20.423 1.00 0.00 C ATOM 21 C SER A 3 -3.916 10.918 -20.148 1.00 0.00 C ATOM 22 O SER A 3 -4.476 10.157 -20.936 1.00 0.00 O ATOM 23 CB SER A 3 -1.859 10.608 -21.537 1.00 0.00 C ATOM 24 OG SER A 3 -0.960 11.396 -22.298 1.00 0.00 O ATOM 0 H SER A 3 -1.070 12.179 -19.090 1.00 0.00 H new ATOM 0 HA SER A 3 -2.573 12.472 -20.742 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.328 9.760 -21.105 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.632 10.201 -22.189 1.00 0.00 H new ATOM 0 HG SER A 3 -0.558 10.846 -23.002 1.00 0.00 H new ATOM 30 N GLY A 4 -4.485 11.341 -19.023 1.00 0.00 N ATOM 31 CA GLY A 4 -5.824 10.914 -18.663 1.00 0.00 C ATOM 32 C GLY A 4 -6.340 11.610 -17.419 1.00 0.00 C ATOM 33 O GLY A 4 -6.479 12.833 -17.397 1.00 0.00 O ATOM 0 H GLY A 4 -4.042 11.972 -18.355 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.501 11.113 -19.494 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.827 9.836 -18.500 1.00 0.00 H new ATOM 37 N SER A 5 -6.626 10.830 -16.381 1.00 0.00 N ATOM 38 CA SER A 5 -7.135 11.379 -15.130 1.00 0.00 C ATOM 39 C SER A 5 -7.212 10.300 -14.055 1.00 0.00 C ATOM 40 O SER A 5 -7.446 9.128 -14.351 1.00 0.00 O ATOM 41 CB SER A 5 -8.517 12.000 -15.345 1.00 0.00 C ATOM 42 OG SER A 5 -9.447 11.029 -15.793 1.00 0.00 O ATOM 0 H SER A 5 -6.514 9.816 -16.382 1.00 0.00 H new ATOM 0 HA SER A 5 -6.445 12.153 -14.795 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.869 12.443 -14.414 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.448 12.806 -16.075 1.00 0.00 H new ATOM 0 HG SER A 5 -10.323 11.450 -15.921 1.00 0.00 H new ATOM 48 N SER A 6 -7.011 10.704 -12.804 1.00 0.00 N ATOM 49 CA SER A 6 -7.054 9.771 -11.684 1.00 0.00 C ATOM 50 C SER A 6 -6.474 8.417 -12.082 1.00 0.00 C ATOM 51 O SER A 6 -6.966 7.371 -11.661 1.00 0.00 O ATOM 52 CB SER A 6 -8.491 9.598 -11.191 1.00 0.00 C ATOM 53 OG SER A 6 -9.356 9.240 -12.255 1.00 0.00 O ATOM 0 H SER A 6 -6.817 11.670 -12.541 1.00 0.00 H new ATOM 0 HA SER A 6 -6.448 10.183 -10.877 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.524 8.830 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.836 10.525 -10.734 1.00 0.00 H new ATOM 0 HG SER A 6 -10.268 9.134 -11.913 1.00 0.00 H new ATOM 59 N GLY A 7 -5.424 8.446 -12.896 1.00 0.00 N ATOM 60 CA GLY A 7 -4.793 7.216 -13.339 1.00 0.00 C ATOM 61 C GLY A 7 -4.342 6.347 -12.181 1.00 0.00 C ATOM 62 O GLY A 7 -4.782 5.206 -12.044 1.00 0.00 O ATOM 0 H GLY A 7 -4.998 9.300 -13.257 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.492 6.655 -13.959 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.934 7.457 -13.965 1.00 0.00 H new ATOM 66 N VAL A 8 -3.461 6.888 -11.346 1.00 0.00 N ATOM 67 CA VAL A 8 -2.949 6.154 -10.195 1.00 0.00 C ATOM 68 C VAL A 8 -3.705 6.528 -8.925 1.00 0.00 C ATOM 69 O VAL A 8 -4.039 7.693 -8.707 1.00 0.00 O ATOM 70 CB VAL A 8 -1.447 6.420 -9.982 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.920 5.603 -8.812 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.667 6.112 -11.251 1.00 0.00 C ATOM 0 H VAL A 8 -3.087 7.832 -11.445 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.096 5.094 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.313 7.476 -9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.143 5.804 -8.677 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.459 5.877 -7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.065 4.542 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.392 6.305 -11.083 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.807 5.065 -11.519 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.027 6.745 -12.062 1.00 0.00 H new ATOM 82 N THR A 9 -3.971 5.531 -8.086 1.00 0.00 N ATOM 83 CA THR A 9 -4.689 5.755 -6.837 1.00 0.00 C ATOM 84 C THR A 9 -3.726 5.836 -5.657 1.00 0.00 C ATOM 85 O THR A 9 -2.840 4.994 -5.506 1.00 0.00 O ATOM 86 CB THR A 9 -5.715 4.638 -6.571 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.667 4.583 -7.640 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.438 4.870 -5.253 1.00 0.00 C ATOM 0 H THR A 9 -3.700 4.561 -8.249 1.00 0.00 H new ATOM 0 HA THR A 9 -5.215 6.704 -6.940 1.00 0.00 H new ATOM 0 HB THR A 9 -5.180 3.690 -6.512 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.315 3.869 -7.464 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.158 4.068 -5.087 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.714 4.883 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.961 5.826 -5.288 1.00 0.00 H new ATOM 96 N THR A 10 -3.906 6.854 -4.822 1.00 0.00 N ATOM 97 CA THR A 10 -3.053 7.045 -3.655 1.00 0.00 C ATOM 98 C THR A 10 -3.853 6.922 -2.363 1.00 0.00 C ATOM 99 O THR A 10 -4.977 7.414 -2.269 1.00 0.00 O ATOM 100 CB THR A 10 -2.358 8.419 -3.687 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.655 8.584 -4.923 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.389 8.562 -2.523 1.00 0.00 C ATOM 0 H THR A 10 -4.635 7.559 -4.932 1.00 0.00 H new ATOM 0 HA THR A 10 -2.295 6.262 -3.685 1.00 0.00 H new ATOM 0 HB THR A 10 -3.123 9.191 -3.599 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.217 9.461 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.910 9.540 -2.566 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.933 8.465 -1.583 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.629 7.783 -2.584 1.00 0.00 H new ATOM 110 N ALA A 11 -3.266 6.263 -1.370 1.00 0.00 N ATOM 111 CA ALA A 11 -3.924 6.078 -0.082 1.00 0.00 C ATOM 112 C ALA A 11 -3.027 6.536 1.063 1.00 0.00 C ATOM 113 O ALA A 11 -1.804 6.402 0.997 1.00 0.00 O ATOM 114 CB ALA A 11 -4.319 4.621 0.104 1.00 0.00 C ATOM 0 H ALA A 11 -2.336 5.848 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.825 6.691 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.809 4.497 1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.004 4.325 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.428 3.995 0.067 1.00 0.00 H new ATOM 120 N ILE A 12 -3.641 7.075 2.111 1.00 0.00 N ATOM 121 CA ILE A 12 -2.897 7.551 3.270 1.00 0.00 C ATOM 122 C ILE A 12 -3.367 6.862 4.546 1.00 0.00 C ATOM 123 O ILE A 12 -4.562 6.830 4.842 1.00 0.00 O ATOM 124 CB ILE A 12 -3.037 9.075 3.442 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.705 9.791 2.130 1.00 0.00 C ATOM 126 CG2 ILE A 12 -2.134 9.567 4.563 1.00 0.00 C ATOM 127 CD1 ILE A 12 -1.298 9.533 1.640 1.00 0.00 C ATOM 0 H ILE A 12 -4.652 7.193 2.181 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.849 7.308 3.093 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.069 9.302 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.412 9.474 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.843 10.864 2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.244 10.646 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.413 9.078 5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.097 9.331 4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.133 10.072 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.583 9.876 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.162 8.465 1.471 1.00 0.00 H new ATOM 139 N ILE A 13 -2.420 6.312 5.299 1.00 0.00 N ATOM 140 CA ILE A 13 -2.737 5.626 6.545 1.00 0.00 C ATOM 141 C ILE A 13 -2.202 6.396 7.748 1.00 0.00 C ATOM 142 O ILE A 13 -1.298 7.221 7.618 1.00 0.00 O ATOM 143 CB ILE A 13 -2.159 4.199 6.564 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.420 3.500 5.228 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.758 3.400 7.712 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.818 2.934 5.106 1.00 0.00 C ATOM 0 H ILE A 13 -1.427 6.328 5.067 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.824 5.570 6.607 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.081 4.262 6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.251 4.209 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.698 2.693 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.340 2.394 7.712 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.525 3.890 8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.840 3.343 7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.932 2.453 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.984 2.201 5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.546 3.740 5.200 1.00 0.00 H new ATOM 158 N HIS A 14 -2.766 6.118 8.919 1.00 0.00 N ATOM 159 CA HIS A 14 -2.344 6.783 10.147 1.00 0.00 C ATOM 160 C HIS A 14 -1.749 5.780 11.131 1.00 0.00 C ATOM 161 O HIS A 14 -2.476 5.039 11.792 1.00 0.00 O ATOM 162 CB HIS A 14 -3.526 7.508 10.792 1.00 0.00 C ATOM 163 CG HIS A 14 -3.702 8.914 10.309 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.685 9.259 8.974 1.00 0.00 N ATOM 165 CD2 HIS A 14 -3.901 10.066 10.991 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.864 10.563 8.856 1.00 0.00 C ATOM 167 NE2 HIS A 14 -3.998 11.076 10.066 1.00 0.00 N ATOM 0 H HIS A 14 -3.516 5.438 9.044 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.576 7.513 9.890 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.439 6.947 10.592 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.389 7.519 11.873 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.971 10.171 12.064 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.895 11.115 7.928 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.149 12.062 10.279 1.00 0.00 H new ATOM 175 N ARG A 15 -0.423 5.763 11.221 1.00 0.00 N ATOM 176 CA ARG A 15 0.269 4.849 12.123 1.00 0.00 C ATOM 177 C ARG A 15 0.960 5.615 13.247 1.00 0.00 C ATOM 178 O ARG A 15 2.139 5.962 13.162 1.00 0.00 O ATOM 179 CB ARG A 15 1.295 4.018 11.351 1.00 0.00 C ATOM 180 CG ARG A 15 0.699 3.238 10.191 1.00 0.00 C ATOM 181 CD ARG A 15 1.781 2.662 9.291 1.00 0.00 C ATOM 182 NE ARG A 15 2.230 1.349 9.746 1.00 0.00 N ATOM 183 CZ ARG A 15 3.130 1.172 10.707 1.00 0.00 C ATOM 184 NH1 ARG A 15 3.675 2.219 11.311 1.00 0.00 N ATOM 185 NH2 ARG A 15 3.487 -0.055 11.065 1.00 0.00 N ATOM 0 H ARG A 15 0.193 6.371 10.681 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.472 4.181 12.564 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.074 4.679 10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.776 3.321 12.037 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.077 2.430 10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.049 3.891 9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.401 2.582 8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.630 3.345 9.262 1.00 0.00 H new ATOM 0 HE ARG A 15 1.831 0.522 9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.403 3.164 11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.366 2.080 12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.070 -0.863 10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.178 -0.190 11.803 1.00 0.00 H new ATOM 199 N PRO A 16 0.212 5.887 14.326 1.00 0.00 N ATOM 200 CA PRO A 16 0.732 6.614 15.488 1.00 0.00 C ATOM 201 C PRO A 16 1.748 5.796 16.277 1.00 0.00 C ATOM 202 O PRO A 16 2.661 6.347 16.892 1.00 0.00 O ATOM 203 CB PRO A 16 -0.518 6.874 16.333 1.00 0.00 C ATOM 204 CG PRO A 16 -1.467 5.792 15.948 1.00 0.00 C ATOM 205 CD PRO A 16 -1.200 5.504 14.496 1.00 0.00 C ATOM 0 HA PRO A 16 1.262 7.521 15.197 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.290 6.840 17.398 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.937 7.859 16.128 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.312 4.902 16.557 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.500 6.106 16.100 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.363 4.453 14.258 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.855 6.083 13.845 1.00 0.00 H new ATOM 213 N HIS A 17 1.583 4.477 16.256 1.00 0.00 N ATOM 214 CA HIS A 17 2.487 3.582 16.970 1.00 0.00 C ATOM 215 C HIS A 17 3.136 2.588 16.011 1.00 0.00 C ATOM 216 O HIS A 17 2.530 2.178 15.022 1.00 0.00 O ATOM 217 CB HIS A 17 1.734 2.831 18.068 1.00 0.00 C ATOM 218 CG HIS A 17 2.581 2.503 19.259 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.979 1.219 19.568 1.00 0.00 N ATOM 220 CD2 HIS A 17 3.109 3.300 20.217 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.713 1.241 20.666 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.808 2.492 21.080 1.00 0.00 N ATOM 0 H HIS A 17 0.832 4.005 15.753 1.00 0.00 H new ATOM 0 HA HIS A 17 3.271 4.186 17.426 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.885 3.433 18.391 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.331 1.907 17.654 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.001 4.372 20.289 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.160 0.382 21.144 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.317 2.806 21.906 1.00 0.00 H new ATOM 230 N ALA A 18 4.373 2.206 16.311 1.00 0.00 N ATOM 231 CA ALA A 18 5.104 1.259 15.477 1.00 0.00 C ATOM 232 C ALA A 18 4.794 -0.179 15.878 1.00 0.00 C ATOM 233 O ALA A 18 4.742 -1.072 15.033 1.00 0.00 O ATOM 234 CB ALA A 18 6.599 1.524 15.565 1.00 0.00 C ATOM 0 H ALA A 18 4.890 2.538 17.125 1.00 0.00 H new ATOM 0 HA ALA A 18 4.782 1.397 14.445 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.133 0.810 14.938 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.810 2.537 15.222 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.928 1.415 16.599 1.00 0.00 H new ATOM 240 N ARG A 19 4.591 -0.396 17.174 1.00 0.00 N ATOM 241 CA ARG A 19 4.289 -1.727 17.687 1.00 0.00 C ATOM 242 C ARG A 19 2.802 -2.038 17.549 1.00 0.00 C ATOM 243 O ARG A 19 2.251 -2.832 18.311 1.00 0.00 O ATOM 244 CB ARG A 19 4.711 -1.839 19.153 1.00 0.00 C ATOM 245 CG ARG A 19 6.012 -1.120 19.470 1.00 0.00 C ATOM 246 CD ARG A 19 7.209 -2.048 19.335 1.00 0.00 C ATOM 247 NE ARG A 19 7.480 -2.775 20.573 1.00 0.00 N ATOM 248 CZ ARG A 19 8.632 -3.384 20.830 1.00 0.00 C ATOM 249 NH1 ARG A 19 9.615 -3.353 19.941 1.00 0.00 N ATOM 250 NH2 ARG A 19 8.803 -4.025 21.979 1.00 0.00 N ATOM 0 H ARG A 19 4.630 0.332 17.887 1.00 0.00 H new ATOM 0 HA ARG A 19 4.850 -2.452 17.098 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.919 -1.433 19.782 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.816 -2.892 19.412 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.132 -0.270 18.799 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.971 -0.722 20.484 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.027 -2.759 18.529 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.088 -1.467 19.056 1.00 0.00 H new ATOM 0 HE ARG A 19 6.744 -2.817 21.278 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.488 -2.861 19.057 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.499 -3.822 20.141 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.049 -4.050 22.666 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.688 -4.492 22.175 1.00 0.00 H new ATOM 264 N GLU A 20 2.159 -1.407 16.572 1.00 0.00 N ATOM 265 CA GLU A 20 0.735 -1.616 16.336 1.00 0.00 C ATOM 266 C GLU A 20 0.487 -2.119 14.917 1.00 0.00 C ATOM 267 O GLU A 20 1.037 -1.586 13.954 1.00 0.00 O ATOM 268 CB GLU A 20 -0.040 -0.318 16.571 1.00 0.00 C ATOM 269 CG GLU A 20 -0.149 0.069 18.037 1.00 0.00 C ATOM 270 CD GLU A 20 -1.104 -0.823 18.806 1.00 0.00 C ATOM 271 OE1 GLU A 20 -2.223 -1.065 18.308 1.00 0.00 O ATOM 272 OE2 GLU A 20 -0.731 -1.280 19.907 1.00 0.00 O ATOM 0 H GLU A 20 2.601 -0.747 15.932 1.00 0.00 H new ATOM 0 HA GLU A 20 0.384 -2.372 17.038 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.448 0.490 16.026 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.042 -0.423 16.156 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.838 0.019 18.496 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.484 1.104 18.112 1.00 0.00 H new ATOM 279 N GLN A 21 -0.344 -3.149 14.797 1.00 0.00 N ATOM 280 CA GLN A 21 -0.664 -3.725 13.496 1.00 0.00 C ATOM 281 C GLN A 21 -1.320 -2.690 12.589 1.00 0.00 C ATOM 282 O GLN A 21 -1.626 -1.577 13.019 1.00 0.00 O ATOM 283 CB GLN A 21 -1.588 -4.933 13.663 1.00 0.00 C ATOM 284 CG GLN A 21 -0.987 -6.047 14.504 1.00 0.00 C ATOM 285 CD GLN A 21 0.278 -6.620 13.896 1.00 0.00 C ATOM 286 OE1 GLN A 21 0.249 -7.660 13.238 1.00 0.00 O ATOM 287 NE2 GLN A 21 1.400 -5.943 14.114 1.00 0.00 N ATOM 0 H GLN A 21 -0.808 -3.602 15.584 1.00 0.00 H new ATOM 0 HA GLN A 21 0.267 -4.050 13.032 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.521 -4.606 14.122 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.838 -5.327 12.678 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.766 -5.666 15.501 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.721 -6.844 14.623 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.379 -5.085 14.665 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.282 -6.281 13.730 1.00 0.00 H new ATOM 296 N LEU A 22 -1.534 -3.062 11.332 1.00 0.00 N ATOM 297 CA LEU A 22 -2.154 -2.166 10.363 1.00 0.00 C ATOM 298 C LEU A 22 -3.593 -2.582 10.079 1.00 0.00 C ATOM 299 O LEU A 22 -4.520 -1.785 10.219 1.00 0.00 O ATOM 300 CB LEU A 22 -1.349 -2.153 9.062 1.00 0.00 C ATOM 301 CG LEU A 22 -0.229 -1.115 8.976 1.00 0.00 C ATOM 302 CD1 LEU A 22 0.850 -1.573 8.007 1.00 0.00 C ATOM 303 CD2 LEU A 22 -0.787 0.237 8.556 1.00 0.00 C ATOM 0 H LEU A 22 -1.287 -3.979 10.960 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.163 -1.162 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.913 -3.142 8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.037 -1.985 8.234 1.00 0.00 H new ATOM 0 HG LEU A 22 0.220 -1.010 9.964 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.638 -0.822 7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.270 -2.518 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.416 -1.707 7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.024 0.964 8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.262 0.147 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.523 0.570 9.288 1.00 0.00 H new ATOM 315 N GLY A 23 -3.773 -3.838 9.680 1.00 0.00 N ATOM 316 CA GLY A 23 -5.103 -4.339 9.385 1.00 0.00 C ATOM 317 C GLY A 23 -5.183 -5.005 8.026 1.00 0.00 C ATOM 318 O GLY A 23 -5.875 -6.009 7.859 1.00 0.00 O ATOM 0 H GLY A 23 -3.022 -4.517 9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.398 -5.053 10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.815 -3.515 9.425 1.00 0.00 H new ATOM 322 N PHE A 24 -4.474 -4.445 7.052 1.00 0.00 N ATOM 323 CA PHE A 24 -4.470 -4.990 5.699 1.00 0.00 C ATOM 324 C PHE A 24 -3.322 -5.978 5.514 1.00 0.00 C ATOM 325 O PHE A 24 -2.182 -5.698 5.886 1.00 0.00 O ATOM 326 CB PHE A 24 -4.356 -3.861 4.672 1.00 0.00 C ATOM 327 CG PHE A 24 -3.044 -3.131 4.727 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.851 -2.093 5.623 1.00 0.00 C ATOM 329 CD2 PHE A 24 -2.004 -3.485 3.882 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.645 -1.419 5.675 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.796 -2.815 3.929 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.616 -1.782 4.828 1.00 0.00 C ATOM 0 H PHE A 24 -3.895 -3.614 7.174 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.410 -5.519 5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.491 -4.275 3.673 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.166 -3.150 4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.652 -1.807 6.289 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.139 -4.294 3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.508 -0.610 6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.006 -3.099 3.264 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.328 -1.259 4.869 1.00 0.00 H new ATOM 342 N CYS A 25 -3.632 -7.135 4.939 1.00 0.00 N ATOM 343 CA CYS A 25 -2.628 -8.166 4.706 1.00 0.00 C ATOM 344 C CYS A 25 -2.114 -8.111 3.271 1.00 0.00 C ATOM 345 O CYS A 25 -2.897 -8.063 2.321 1.00 0.00 O ATOM 346 CB CYS A 25 -3.211 -9.550 4.998 1.00 0.00 C ATOM 347 SG CYS A 25 -1.983 -10.877 5.026 1.00 0.00 S ATOM 0 H CYS A 25 -4.571 -7.382 4.626 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.791 -7.982 5.380 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.722 -9.522 5.961 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.964 -9.782 4.244 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.571 -12.007 5.283 1.00 0.00 H new ATOM 353 N VAL A 26 -0.794 -8.115 3.120 1.00 0.00 N ATOM 354 CA VAL A 26 -0.175 -8.064 1.801 1.00 0.00 C ATOM 355 C VAL A 26 0.435 -9.411 1.428 1.00 0.00 C ATOM 356 O VAL A 26 1.053 -10.075 2.259 1.00 0.00 O ATOM 357 CB VAL A 26 0.920 -6.982 1.736 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.663 -7.053 0.410 1.00 0.00 C ATOM 359 CG2 VAL A 26 0.316 -5.602 1.944 1.00 0.00 C ATOM 0 H VAL A 26 -0.132 -8.153 3.895 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.964 -7.816 1.091 1.00 0.00 H new ATOM 0 HB VAL A 26 1.636 -7.165 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.432 -6.281 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.128 -8.033 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.961 -6.895 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.103 -4.849 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.422 -5.407 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.167 -5.559 2.920 1.00 0.00 H new ATOM 369 N GLU A 27 0.256 -9.808 0.171 1.00 0.00 N ATOM 370 CA GLU A 27 0.788 -11.076 -0.312 1.00 0.00 C ATOM 371 C GLU A 27 1.421 -10.911 -1.690 1.00 0.00 C ATOM 372 O GLU A 27 0.722 -10.781 -2.695 1.00 0.00 O ATOM 373 CB GLU A 27 -0.319 -12.131 -0.370 1.00 0.00 C ATOM 374 CG GLU A 27 -0.909 -12.469 0.989 1.00 0.00 C ATOM 375 CD GLU A 27 -0.015 -13.385 1.802 1.00 0.00 C ATOM 376 OE1 GLU A 27 -0.004 -14.602 1.526 1.00 0.00 O ATOM 377 OE2 GLU A 27 0.674 -12.882 2.714 1.00 0.00 O ATOM 0 H GLU A 27 -0.253 -9.270 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 27 1.558 -11.406 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.115 -11.775 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.080 -13.040 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.081 -11.548 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.880 -12.944 0.851 1.00 0.00 H new ATOM 384 N ASP A 28 2.749 -10.916 -1.729 1.00 0.00 N ATOM 385 CA ASP A 28 3.478 -10.767 -2.983 1.00 0.00 C ATOM 386 C ASP A 28 3.375 -9.337 -3.505 1.00 0.00 C ATOM 387 O ASP A 28 3.459 -9.097 -4.709 1.00 0.00 O ATOM 388 CB ASP A 28 2.940 -11.745 -4.029 1.00 0.00 C ATOM 389 CG ASP A 28 4.004 -12.178 -5.019 1.00 0.00 C ATOM 390 OD1 ASP A 28 4.716 -11.298 -5.547 1.00 0.00 O ATOM 391 OD2 ASP A 28 4.125 -13.396 -5.265 1.00 0.00 O ATOM 0 H ASP A 28 3.343 -11.022 -0.906 1.00 0.00 H new ATOM 0 HA ASP A 28 4.528 -10.991 -2.794 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.536 -12.624 -3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.115 -11.279 -4.568 1.00 0.00 H new ATOM 396 N GLY A 29 3.193 -8.390 -2.590 1.00 0.00 N ATOM 397 CA GLY A 29 3.080 -6.996 -2.977 1.00 0.00 C ATOM 398 C GLY A 29 1.663 -6.611 -3.353 1.00 0.00 C ATOM 399 O GLY A 29 1.435 -5.553 -3.939 1.00 0.00 O ATOM 0 H GLY A 29 3.122 -8.563 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.418 -6.365 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.742 -6.802 -3.821 1.00 0.00 H new ATOM 403 N ILE A 30 0.709 -7.472 -3.016 1.00 0.00 N ATOM 404 CA ILE A 30 -0.693 -7.217 -3.323 1.00 0.00 C ATOM 405 C ILE A 30 -1.585 -7.545 -2.131 1.00 0.00 C ATOM 406 O ILE A 30 -1.570 -8.666 -1.622 1.00 0.00 O ATOM 407 CB ILE A 30 -1.161 -8.035 -4.541 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.175 -7.875 -5.700 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.558 -7.604 -4.963 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.296 -8.957 -6.750 1.00 0.00 C ATOM 0 H ILE A 30 0.881 -8.352 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.777 -6.155 -3.555 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.196 -9.088 -4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.334 -6.904 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.841 -7.875 -5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.875 -8.191 -5.825 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.253 -7.765 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.548 -6.547 -5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.433 -8.780 -7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.108 -9.929 -6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.301 -8.943 -7.173 1.00 0.00 H new ATOM 422 N ILE A 31 -2.362 -6.561 -1.691 1.00 0.00 N ATOM 423 CA ILE A 31 -3.263 -6.746 -0.561 1.00 0.00 C ATOM 424 C ILE A 31 -4.367 -7.744 -0.896 1.00 0.00 C ATOM 425 O ILE A 31 -4.889 -7.756 -2.011 1.00 0.00 O ATOM 426 CB ILE A 31 -3.905 -5.414 -0.128 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.830 -4.341 0.056 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.699 -5.602 1.156 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.343 -2.932 -0.139 1.00 0.00 C ATOM 0 H ILE A 31 -2.385 -5.627 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.662 -7.134 0.261 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.589 -5.086 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.407 -4.430 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.020 -4.525 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.147 -4.652 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.485 -6.339 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.035 -5.950 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.527 -2.224 0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.740 -2.826 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.133 -2.729 0.584 1.00 0.00 H new ATOM 441 N CYS A 32 -4.718 -8.577 0.078 1.00 0.00 N ATOM 442 CA CYS A 32 -5.761 -9.579 -0.113 1.00 0.00 C ATOM 443 C CYS A 32 -6.930 -9.333 0.836 1.00 0.00 C ATOM 444 O CYS A 32 -8.066 -9.145 0.401 1.00 0.00 O ATOM 445 CB CYS A 32 -5.195 -10.982 0.108 1.00 0.00 C ATOM 446 SG CYS A 32 -6.045 -12.276 -0.827 1.00 0.00 S ATOM 0 H CYS A 32 -4.296 -8.578 1.007 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.125 -9.500 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.140 -10.984 -0.166 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.249 -11.221 1.170 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.493 -13.426 -0.576 1.00 0.00 H new ATOM 452 N SER A 33 -6.643 -9.338 2.133 1.00 0.00 N ATOM 453 CA SER A 33 -7.672 -9.122 3.144 1.00 0.00 C ATOM 454 C SER A 33 -7.463 -7.788 3.855 1.00 0.00 C ATOM 455 O SER A 33 -6.356 -7.247 3.872 1.00 0.00 O ATOM 456 CB SER A 33 -7.663 -10.262 4.164 1.00 0.00 C ATOM 457 OG SER A 33 -6.546 -10.164 5.030 1.00 0.00 O ATOM 0 H SER A 33 -5.707 -9.489 2.509 1.00 0.00 H new ATOM 0 HA SER A 33 -8.640 -9.100 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.583 -10.238 4.748 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.640 -11.219 3.643 1.00 0.00 H new ATOM 0 HG SER A 33 -6.565 -10.903 5.673 1.00 0.00 H new ATOM 463 N LEU A 34 -8.533 -7.263 4.441 1.00 0.00 N ATOM 464 CA LEU A 34 -8.469 -5.992 5.154 1.00 0.00 C ATOM 465 C LEU A 34 -9.186 -6.084 6.497 1.00 0.00 C ATOM 466 O LEU A 34 -10.308 -6.586 6.581 1.00 0.00 O ATOM 467 CB LEU A 34 -9.088 -4.878 4.308 1.00 0.00 C ATOM 468 CG LEU A 34 -8.531 -3.472 4.537 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.970 -2.536 3.422 1.00 0.00 C ATOM 470 CD2 LEU A 34 -8.975 -2.937 5.891 1.00 0.00 C ATOM 0 H LEU A 34 -9.456 -7.698 4.437 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.420 -5.760 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.956 -5.132 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.161 -4.858 4.499 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.442 -3.527 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.564 -1.540 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.602 -2.911 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.059 -2.485 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.570 -1.936 6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.064 -2.897 5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.610 -3.595 6.680 1.00 0.00 H new ATOM 482 N LEU A 35 -8.533 -5.595 7.545 1.00 0.00 N ATOM 483 CA LEU A 35 -9.109 -5.620 8.885 1.00 0.00 C ATOM 484 C LEU A 35 -10.316 -4.693 8.977 1.00 0.00 C ATOM 485 O LEU A 35 -10.358 -3.647 8.329 1.00 0.00 O ATOM 486 CB LEU A 35 -8.059 -5.213 9.921 1.00 0.00 C ATOM 487 CG LEU A 35 -8.528 -5.181 11.376 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.534 -6.582 11.966 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.645 -4.256 12.201 1.00 0.00 C ATOM 0 H LEU A 35 -7.604 -5.176 7.493 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.440 -6.638 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.218 -5.902 9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.684 -4.224 9.659 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.547 -4.795 11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.870 -6.539 13.002 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.209 -7.216 11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.527 -6.997 11.929 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.994 -4.246 13.234 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.615 -4.612 12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.693 -3.247 11.792 1.00 0.00 H new ATOM 501 N ARG A 36 -11.295 -5.082 9.786 1.00 0.00 N ATOM 502 CA ARG A 36 -12.503 -4.285 9.963 1.00 0.00 C ATOM 503 C ARG A 36 -12.281 -3.184 10.995 1.00 0.00 C ATOM 504 O ARG A 36 -11.546 -3.366 11.965 1.00 0.00 O ATOM 505 CB ARG A 36 -13.669 -5.176 10.396 1.00 0.00 C ATOM 506 CG ARG A 36 -13.505 -5.760 11.789 1.00 0.00 C ATOM 507 CD ARG A 36 -14.442 -6.937 12.014 1.00 0.00 C ATOM 508 NE ARG A 36 -15.745 -6.511 12.516 1.00 0.00 N ATOM 509 CZ ARG A 36 -16.751 -7.346 12.751 1.00 0.00 C ATOM 510 NH1 ARG A 36 -16.603 -8.645 12.532 1.00 0.00 N ATOM 511 NH2 ARG A 36 -17.908 -6.882 13.208 1.00 0.00 N ATOM 0 H ARG A 36 -11.276 -5.945 10.330 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.745 -3.821 9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.591 -4.596 10.361 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.778 -5.991 9.680 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.473 -6.083 11.930 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.703 -4.989 12.534 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.574 -7.479 11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.989 -7.630 12.723 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.891 -5.518 12.696 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.715 -9.005 12.182 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.377 -9.284 12.713 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.025 -5.883 13.379 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.680 -7.524 13.388 1.00 0.00 H new ATOM 525 N GLY A 37 -12.922 -2.039 10.779 1.00 0.00 N ATOM 526 CA GLY A 37 -12.781 -0.924 11.698 1.00 0.00 C ATOM 527 C GLY A 37 -11.335 -0.655 12.065 1.00 0.00 C ATOM 528 O GLY A 37 -11.013 -0.448 13.234 1.00 0.00 O ATOM 0 H GLY A 37 -13.536 -1.864 9.984 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.211 -0.029 11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.351 -1.130 12.604 1.00 0.00 H new ATOM 532 N GLY A 38 -10.461 -0.660 11.063 1.00 0.00 N ATOM 533 CA GLY A 38 -9.051 -0.415 11.308 1.00 0.00 C ATOM 534 C GLY A 38 -8.583 0.904 10.727 1.00 0.00 C ATOM 535 O GLY A 38 -9.396 1.732 10.316 1.00 0.00 O ATOM 0 H GLY A 38 -10.704 -0.829 10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.865 -0.422 12.382 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.464 -1.227 10.878 1.00 0.00 H new ATOM 539 N ILE A 39 -7.269 1.102 10.695 1.00 0.00 N ATOM 540 CA ILE A 39 -6.695 2.330 10.162 1.00 0.00 C ATOM 541 C ILE A 39 -6.703 2.324 8.637 1.00 0.00 C ATOM 542 O ILE A 39 -6.990 3.339 8.003 1.00 0.00 O ATOM 543 CB ILE A 39 -5.250 2.537 10.655 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.112 2.074 12.106 1.00 0.00 C ATOM 545 CG2 ILE A 39 -4.848 3.998 10.518 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.768 2.398 12.719 1.00 0.00 C ATOM 0 H ILE A 39 -6.583 0.427 11.032 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.315 3.150 10.524 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.581 1.937 10.037 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.896 2.539 12.703 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.273 0.997 12.152 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.825 4.128 10.870 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.912 4.296 9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.519 4.617 11.114 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.742 2.041 13.748 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.980 1.911 12.146 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.613 3.477 12.706 1.00 0.00 H new ATOM 558 N ALA A 40 -6.389 1.172 8.053 1.00 0.00 N ATOM 559 CA ALA A 40 -6.364 1.032 6.603 1.00 0.00 C ATOM 560 C ALA A 40 -7.696 1.449 5.988 1.00 0.00 C ATOM 561 O ALA A 40 -7.785 2.474 5.314 1.00 0.00 O ATOM 562 CB ALA A 40 -6.028 -0.401 6.216 1.00 0.00 C ATOM 0 H ALA A 40 -6.148 0.322 8.563 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.590 1.693 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.013 -0.491 5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.049 -0.666 6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.781 -1.074 6.625 1.00 0.00 H new ATOM 568 N GLU A 41 -8.729 0.646 6.226 1.00 0.00 N ATOM 569 CA GLU A 41 -10.056 0.933 5.693 1.00 0.00 C ATOM 570 C GLU A 41 -10.333 2.433 5.702 1.00 0.00 C ATOM 571 O GLU A 41 -10.928 2.971 4.767 1.00 0.00 O ATOM 572 CB GLU A 41 -11.125 0.201 6.507 1.00 0.00 C ATOM 573 CG GLU A 41 -12.527 0.345 5.939 1.00 0.00 C ATOM 574 CD GLU A 41 -13.553 -0.469 6.704 1.00 0.00 C ATOM 575 OE1 GLU A 41 -13.737 -1.657 6.367 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.172 0.082 7.638 1.00 0.00 O ATOM 0 H GLU A 41 -8.673 -0.207 6.783 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.090 0.581 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.870 -0.857 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.115 0.581 7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.816 1.396 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.526 0.032 4.895 1.00 0.00 H new ATOM 583 N ARG A 42 -9.899 3.104 6.764 1.00 0.00 N ATOM 584 CA ARG A 42 -10.101 4.541 6.895 1.00 0.00 C ATOM 585 C ARG A 42 -9.244 5.305 5.891 1.00 0.00 C ATOM 586 O ARG A 42 -9.730 6.195 5.194 1.00 0.00 O ATOM 587 CB ARG A 42 -9.767 4.997 8.317 1.00 0.00 C ATOM 588 CG ARG A 42 -10.836 4.640 9.338 1.00 0.00 C ATOM 589 CD ARG A 42 -10.330 4.820 10.760 1.00 0.00 C ATOM 590 NE ARG A 42 -10.451 6.204 11.213 1.00 0.00 N ATOM 591 CZ ARG A 42 -10.247 6.587 12.468 1.00 0.00 C ATOM 592 NH1 ARG A 42 -9.913 5.695 13.391 1.00 0.00 N ATOM 593 NH2 ARG A 42 -10.377 7.864 12.803 1.00 0.00 N ATOM 0 H ARG A 42 -9.405 2.675 7.546 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.150 4.755 6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.822 4.548 8.621 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.621 6.077 8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.714 5.266 9.181 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.151 3.607 9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.892 4.169 11.430 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.286 4.510 10.815 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.706 6.915 10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.812 4.712 13.138 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.757 5.992 14.354 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.634 8.553 12.096 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.220 8.157 13.767 1.00 0.00 H new ATOM 607 N GLY A 43 -7.964 4.951 5.822 1.00 0.00 N ATOM 608 CA GLY A 43 -7.059 5.614 4.901 1.00 0.00 C ATOM 609 C GLY A 43 -7.542 5.546 3.466 1.00 0.00 C ATOM 610 O GLY A 43 -7.505 6.542 2.744 1.00 0.00 O ATOM 0 H GLY A 43 -7.538 4.217 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.947 6.658 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.073 5.155 4.972 1.00 0.00 H new ATOM 614 N GLY A 44 -7.994 4.367 3.050 1.00 0.00 N ATOM 615 CA GLY A 44 -8.478 4.195 1.692 1.00 0.00 C ATOM 616 C GLY A 44 -7.859 2.995 1.004 1.00 0.00 C ATOM 617 O GLY A 44 -7.756 2.959 -0.222 1.00 0.00 O ATOM 0 H GLY A 44 -8.034 3.528 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.562 4.082 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.259 5.094 1.115 1.00 0.00 H new ATOM 621 N ILE A 45 -7.445 2.010 1.795 1.00 0.00 N ATOM 622 CA ILE A 45 -6.833 0.803 1.254 1.00 0.00 C ATOM 623 C ILE A 45 -7.887 -0.145 0.694 1.00 0.00 C ATOM 624 O ILE A 45 -8.903 -0.410 1.338 1.00 0.00 O ATOM 625 CB ILE A 45 -6.008 0.062 2.323 1.00 0.00 C ATOM 626 CG1 ILE A 45 -4.870 0.952 2.828 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.460 -1.240 1.760 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.712 1.059 1.860 1.00 0.00 C ATOM 0 H ILE A 45 -7.522 2.025 2.812 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.169 1.120 0.450 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.659 -0.175 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.261 1.950 3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.505 0.558 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.879 -1.752 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.287 -1.877 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.821 -1.026 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.943 1.705 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.295 0.068 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.063 1.481 0.918 1.00 0.00 H new ATOM 640 N ARG A 46 -7.639 -0.654 -0.508 1.00 0.00 N ATOM 641 CA ARG A 46 -8.567 -1.574 -1.155 1.00 0.00 C ATOM 642 C ARG A 46 -7.847 -2.838 -1.617 1.00 0.00 C ATOM 643 O ARG A 46 -6.943 -2.780 -2.450 1.00 0.00 O ATOM 644 CB ARG A 46 -9.244 -0.895 -2.347 1.00 0.00 C ATOM 645 CG ARG A 46 -10.494 -0.114 -1.974 1.00 0.00 C ATOM 646 CD ARG A 46 -11.694 -1.033 -1.803 1.00 0.00 C ATOM 647 NE ARG A 46 -12.340 -1.333 -3.078 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.164 -0.496 -3.699 1.00 0.00 C ATOM 649 NH1 ARG A 46 -13.440 0.686 -3.165 1.00 0.00 N ATOM 650 NH2 ARG A 46 -13.713 -0.841 -4.857 1.00 0.00 N ATOM 0 H ARG A 46 -6.803 -0.445 -1.054 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.327 -1.856 -0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.532 -0.220 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.506 -1.653 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.319 0.434 -1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.707 0.625 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.375 -1.962 -1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.415 -0.566 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.148 -2.234 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.019 0.954 -2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.073 1.327 -3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.502 -1.749 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.346 -0.198 -5.333 1.00 0.00 H new ATOM 664 N VAL A 47 -8.255 -3.979 -1.069 1.00 0.00 N ATOM 665 CA VAL A 47 -7.650 -5.256 -1.425 1.00 0.00 C ATOM 666 C VAL A 47 -7.656 -5.466 -2.935 1.00 0.00 C ATOM 667 O VAL A 47 -8.342 -4.755 -3.668 1.00 0.00 O ATOM 668 CB VAL A 47 -8.383 -6.432 -0.752 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.436 -6.235 0.755 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.783 -6.586 -1.327 1.00 0.00 C ATOM 0 H VAL A 47 -9.002 -4.044 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.620 -5.227 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.828 -7.348 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.957 -7.075 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.422 -6.178 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.967 -5.311 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.286 -7.421 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.350 -5.671 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.717 -6.776 -2.398 1.00 0.00 H new ATOM 680 N GLY A 48 -6.886 -6.448 -3.394 1.00 0.00 N ATOM 681 CA GLY A 48 -6.818 -6.735 -4.815 1.00 0.00 C ATOM 682 C GLY A 48 -5.837 -5.835 -5.541 1.00 0.00 C ATOM 683 O GLY A 48 -5.181 -6.260 -6.493 1.00 0.00 O ATOM 0 H GLY A 48 -6.308 -7.050 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.527 -7.776 -4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.809 -6.617 -5.254 1.00 0.00 H new ATOM 687 N HIS A 49 -5.737 -4.588 -5.094 1.00 0.00 N ATOM 688 CA HIS A 49 -4.830 -3.625 -5.708 1.00 0.00 C ATOM 689 C HIS A 49 -3.379 -3.951 -5.366 1.00 0.00 C ATOM 690 O HIS A 49 -3.078 -4.399 -4.260 1.00 0.00 O ATOM 691 CB HIS A 49 -5.168 -2.207 -5.248 1.00 0.00 C ATOM 692 CG HIS A 49 -6.318 -1.595 -5.988 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.356 -0.266 -6.353 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.474 -2.139 -6.433 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.487 -0.019 -6.989 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.183 -1.139 -7.051 1.00 0.00 N ATOM 0 H HIS A 49 -6.273 -4.220 -4.308 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.953 -3.686 -6.789 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.400 -2.225 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.289 -1.574 -5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.782 -3.168 -6.323 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.791 0.937 -7.390 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.099 -1.244 -7.487 1.00 0.00 H new ATOM 704 N ARG A 50 -2.485 -3.724 -6.323 1.00 0.00 N ATOM 705 CA ARG A 50 -1.067 -3.996 -6.124 1.00 0.00 C ATOM 706 C ARG A 50 -0.310 -2.714 -5.785 1.00 0.00 C ATOM 707 O ARG A 50 -0.656 -1.633 -6.262 1.00 0.00 O ATOM 708 CB ARG A 50 -0.468 -4.638 -7.376 1.00 0.00 C ATOM 709 CG ARG A 50 1.028 -4.890 -7.275 1.00 0.00 C ATOM 710 CD ARG A 50 1.632 -5.207 -8.634 1.00 0.00 C ATOM 711 NE ARG A 50 3.012 -5.673 -8.525 1.00 0.00 N ATOM 712 CZ ARG A 50 3.818 -5.835 -9.568 1.00 0.00 C ATOM 713 NH1 ARG A 50 3.385 -5.569 -10.792 1.00 0.00 N ATOM 714 NH2 ARG A 50 5.061 -6.263 -9.387 1.00 0.00 N ATOM 0 H ARG A 50 -2.718 -3.352 -7.244 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.970 -4.688 -5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.975 -5.584 -7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.662 -3.993 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.518 -4.013 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.213 -5.718 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.030 -5.969 -9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.599 -4.317 -9.262 1.00 0.00 H new ATOM 0 HE ARG A 50 3.377 -5.886 -7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.431 -5.239 -10.935 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.006 -5.694 -11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.398 -6.468 -8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.679 -6.387 -10.189 1.00 0.00 H new ATOM 728 N ILE A 51 0.722 -2.844 -4.959 1.00 0.00 N ATOM 729 CA ILE A 51 1.527 -1.697 -4.557 1.00 0.00 C ATOM 730 C ILE A 51 2.704 -1.492 -5.505 1.00 0.00 C ATOM 731 O ILE A 51 3.446 -2.430 -5.801 1.00 0.00 O ATOM 732 CB ILE A 51 2.061 -1.859 -3.122 1.00 0.00 C ATOM 733 CG1 ILE A 51 1.022 -2.560 -2.244 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.428 -0.503 -2.537 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.199 -1.715 -1.961 1.00 0.00 C ATOM 0 H ILE A 51 1.021 -3.732 -4.555 1.00 0.00 H new ATOM 0 HA ILE A 51 0.875 -0.825 -4.597 1.00 0.00 H new ATOM 0 HB ILE A 51 2.960 -2.475 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.710 -3.483 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.487 -2.840 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.804 -0.634 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.198 -0.038 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.545 0.136 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.892 -2.276 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.101 -0.803 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.688 -1.456 -2.900 1.00 0.00 H new ATOM 747 N ILE A 52 2.870 -0.261 -5.976 1.00 0.00 N ATOM 748 CA ILE A 52 3.958 0.067 -6.889 1.00 0.00 C ATOM 749 C ILE A 52 4.952 1.023 -6.237 1.00 0.00 C ATOM 750 O ILE A 52 6.105 1.115 -6.657 1.00 0.00 O ATOM 751 CB ILE A 52 3.431 0.700 -8.190 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.565 1.921 -7.874 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.642 -0.322 -8.994 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.202 2.737 -9.095 1.00 0.00 C ATOM 0 H ILE A 52 2.265 0.526 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 52 4.461 -0.869 -7.130 1.00 0.00 H new ATOM 0 HB ILE A 52 4.281 1.026 -8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.650 1.590 -7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.094 2.558 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.276 0.140 -9.911 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.287 -1.164 -9.245 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.797 -0.676 -8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.588 3.586 -8.796 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.112 3.098 -9.575 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.645 2.115 -9.796 1.00 0.00 H new ATOM 766 N GLU A 53 4.496 1.731 -5.209 1.00 0.00 N ATOM 767 CA GLU A 53 5.346 2.680 -4.499 1.00 0.00 C ATOM 768 C GLU A 53 4.793 2.969 -3.106 1.00 0.00 C ATOM 769 O GLU A 53 3.579 2.995 -2.901 1.00 0.00 O ATOM 770 CB GLU A 53 5.467 3.983 -5.292 1.00 0.00 C ATOM 771 CG GLU A 53 6.765 4.731 -5.039 1.00 0.00 C ATOM 772 CD GLU A 53 6.721 6.161 -5.541 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.677 6.821 -5.360 1.00 0.00 O ATOM 774 OE2 GLU A 53 7.731 6.620 -6.115 1.00 0.00 O ATOM 0 H GLU A 53 3.544 1.666 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 53 6.335 2.234 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.388 3.760 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.628 4.632 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.977 4.731 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.585 4.204 -5.527 1.00 0.00 H new ATOM 781 N ILE A 54 5.693 3.184 -2.152 1.00 0.00 N ATOM 782 CA ILE A 54 5.296 3.471 -0.779 1.00 0.00 C ATOM 783 C ILE A 54 6.205 4.523 -0.153 1.00 0.00 C ATOM 784 O ILE A 54 7.429 4.397 -0.181 1.00 0.00 O ATOM 785 CB ILE A 54 5.324 2.201 0.092 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.761 1.864 0.495 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.688 1.035 -0.651 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.211 2.556 1.762 1.00 0.00 C ATOM 0 H ILE A 54 6.701 3.165 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 54 4.276 3.852 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 54 4.747 2.387 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.849 0.786 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.432 2.140 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.715 0.145 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.653 1.278 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.240 0.846 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.239 2.271 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.156 3.636 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.563 2.261 2.588 1.00 0.00 H new ATOM 800 N ASN A 55 5.598 5.561 0.413 1.00 0.00 N ATOM 801 CA ASN A 55 6.352 6.635 1.048 1.00 0.00 C ATOM 802 C ASN A 55 7.373 7.228 0.082 1.00 0.00 C ATOM 803 O ASN A 55 8.422 7.719 0.495 1.00 0.00 O ATOM 804 CB ASN A 55 7.060 6.117 2.302 1.00 0.00 C ATOM 805 CG ASN A 55 6.090 5.781 3.417 1.00 0.00 C ATOM 806 OD1 ASN A 55 5.847 4.610 3.712 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.528 6.809 4.043 1.00 0.00 N ATOM 0 H ASN A 55 4.586 5.681 0.445 1.00 0.00 H new ATOM 0 HA ASN A 55 5.650 7.419 1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.639 5.229 2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.767 6.869 2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.866 6.644 4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.759 7.763 3.765 1.00 0.00 H new ATOM 814 N GLY A 56 7.057 7.178 -1.209 1.00 0.00 N ATOM 815 CA GLY A 56 7.956 7.713 -2.214 1.00 0.00 C ATOM 816 C GLY A 56 9.081 6.756 -2.554 1.00 0.00 C ATOM 817 O GLY A 56 10.126 7.170 -3.056 1.00 0.00 O ATOM 0 H GLY A 56 6.194 6.776 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.391 7.941 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.378 8.652 -1.857 1.00 0.00 H new ATOM 821 N GLN A 57 8.868 5.473 -2.279 1.00 0.00 N ATOM 822 CA GLN A 57 9.875 4.455 -2.558 1.00 0.00 C ATOM 823 C GLN A 57 9.333 3.403 -3.520 1.00 0.00 C ATOM 824 O GLN A 57 8.334 2.743 -3.235 1.00 0.00 O ATOM 825 CB GLN A 57 10.330 3.789 -1.258 1.00 0.00 C ATOM 826 CG GLN A 57 11.373 4.591 -0.497 1.00 0.00 C ATOM 827 CD GLN A 57 11.640 4.035 0.888 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.700 3.465 1.147 1.00 0.00 O ATOM 829 NE2 GLN A 57 10.676 4.197 1.787 1.00 0.00 N ATOM 0 H GLN A 57 8.008 5.114 -1.864 1.00 0.00 H new ATOM 0 HA GLN A 57 10.730 4.943 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.463 3.634 -0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.737 2.804 -1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.303 4.602 -1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.039 5.625 -0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.813 4.676 1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.798 3.843 2.736 1.00 0.00 H new ATOM 838 N SER A 58 9.999 3.252 -4.660 1.00 0.00 N ATOM 839 CA SER A 58 9.582 2.283 -5.667 1.00 0.00 C ATOM 840 C SER A 58 9.653 0.863 -5.115 1.00 0.00 C ATOM 841 O SER A 58 10.730 0.362 -4.794 1.00 0.00 O ATOM 842 CB SER A 58 10.459 2.402 -6.915 1.00 0.00 C ATOM 843 OG SER A 58 10.430 3.720 -7.435 1.00 0.00 O ATOM 0 H SER A 58 10.830 3.788 -4.910 1.00 0.00 H new ATOM 0 HA SER A 58 8.548 2.499 -5.937 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.485 2.127 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.114 1.700 -7.674 1.00 0.00 H new ATOM 0 HG SER A 58 11.000 3.770 -8.231 1.00 0.00 H new ATOM 849 N VAL A 59 8.495 0.218 -5.008 1.00 0.00 N ATOM 850 CA VAL A 59 8.424 -1.146 -4.496 1.00 0.00 C ATOM 851 C VAL A 59 8.134 -2.139 -5.616 1.00 0.00 C ATOM 852 O VAL A 59 8.276 -3.349 -5.440 1.00 0.00 O ATOM 853 CB VAL A 59 7.340 -1.282 -3.411 1.00 0.00 C ATOM 854 CG1 VAL A 59 7.665 -0.396 -2.218 1.00 0.00 C ATOM 855 CG2 VAL A 59 5.971 -0.944 -3.980 1.00 0.00 C ATOM 0 H VAL A 59 7.594 0.618 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 59 9.396 -1.371 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 59 7.320 -2.317 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.888 -0.505 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.626 -0.691 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.714 0.644 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.217 -1.046 -3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.974 0.081 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.739 -1.625 -4.799 1.00 0.00 H new ATOM 865 N VAL A 60 7.726 -1.619 -6.770 1.00 0.00 N ATOM 866 CA VAL A 60 7.417 -2.459 -7.921 1.00 0.00 C ATOM 867 C VAL A 60 8.492 -3.520 -8.130 1.00 0.00 C ATOM 868 O VAL A 60 8.236 -4.568 -8.723 1.00 0.00 O ATOM 869 CB VAL A 60 7.280 -1.622 -9.206 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.486 -0.712 -9.383 1.00 0.00 C ATOM 871 CG2 VAL A 60 7.103 -2.528 -10.415 1.00 0.00 C ATOM 0 H VAL A 60 7.602 -0.620 -6.932 1.00 0.00 H new ATOM 0 HA VAL A 60 6.465 -2.946 -7.711 1.00 0.00 H new ATOM 0 HB VAL A 60 6.393 -0.995 -9.117 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.371 -0.129 -10.297 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.562 -0.038 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.391 -1.316 -9.450 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.008 -1.920 -11.315 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.970 -3.182 -10.509 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.205 -3.132 -10.289 1.00 0.00 H new ATOM 881 N ALA A 61 9.695 -3.241 -7.639 1.00 0.00 N ATOM 882 CA ALA A 61 10.808 -4.173 -7.771 1.00 0.00 C ATOM 883 C ALA A 61 11.231 -4.718 -6.411 1.00 0.00 C ATOM 884 O ALA A 61 11.656 -5.868 -6.296 1.00 0.00 O ATOM 885 CB ALA A 61 11.984 -3.497 -8.459 1.00 0.00 C ATOM 0 H ALA A 61 9.924 -2.378 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 61 10.477 -5.012 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.808 -4.205 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.681 -3.162 -9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.307 -2.639 -7.869 1.00 0.00 H new ATOM 891 N THR A 62 11.112 -3.885 -5.381 1.00 0.00 N ATOM 892 CA THR A 62 11.484 -4.283 -4.030 1.00 0.00 C ATOM 893 C THR A 62 10.859 -5.623 -3.659 1.00 0.00 C ATOM 894 O THR A 62 9.700 -5.902 -3.970 1.00 0.00 O ATOM 895 CB THR A 62 11.055 -3.226 -2.995 1.00 0.00 C ATOM 896 OG1 THR A 62 11.733 -1.990 -3.247 1.00 0.00 O ATOM 897 CG2 THR A 62 11.359 -3.698 -1.581 1.00 0.00 C ATOM 0 H THR A 62 10.761 -2.930 -5.458 1.00 0.00 H new ATOM 0 HA THR A 62 12.570 -4.376 -4.016 1.00 0.00 H new ATOM 0 HB THR A 62 9.979 -3.075 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.453 -1.323 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.047 -2.935 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.818 -4.623 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.430 -3.875 -1.479 1.00 0.00 H new ATOM 905 N PRO A 63 11.641 -6.474 -2.978 1.00 0.00 N ATOM 906 CA PRO A 63 11.183 -7.799 -2.550 1.00 0.00 C ATOM 907 C PRO A 63 10.137 -7.722 -1.443 1.00 0.00 C ATOM 908 O PRO A 63 10.229 -6.883 -0.546 1.00 0.00 O ATOM 909 CB PRO A 63 12.461 -8.465 -2.032 1.00 0.00 C ATOM 910 CG PRO A 63 13.340 -7.333 -1.625 1.00 0.00 C ATOM 911 CD PRO A 63 13.031 -6.208 -2.574 1.00 0.00 C ATOM 0 HA PRO A 63 10.699 -8.344 -3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.250 -9.125 -1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.931 -9.074 -2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.145 -7.039 -0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.391 -7.615 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.130 -5.236 -2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.705 -6.208 -3.430 1.00 0.00 H new ATOM 919 N HIS A 64 9.143 -8.601 -1.512 1.00 0.00 N ATOM 920 CA HIS A 64 8.079 -8.632 -0.515 1.00 0.00 C ATOM 921 C HIS A 64 8.628 -8.327 0.875 1.00 0.00 C ATOM 922 O HIS A 64 8.115 -7.458 1.579 1.00 0.00 O ATOM 923 CB HIS A 64 7.390 -9.997 -0.515 1.00 0.00 C ATOM 924 CG HIS A 64 6.292 -10.115 0.496 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.961 -9.940 0.185 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.334 -10.393 1.820 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.231 -10.104 1.274 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.041 -10.380 2.280 1.00 0.00 N ATOM 0 H HIS A 64 9.052 -9.301 -2.248 1.00 0.00 H new ATOM 0 HA HIS A 64 7.349 -7.865 -0.775 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.981 -10.188 -1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.134 -10.770 -0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.220 -10.589 2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.155 -10.026 1.332 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.752 -10.555 3.243 1.00 0.00 H new ATOM 936 N ALA A 65 9.675 -9.048 1.264 1.00 0.00 N ATOM 937 CA ALA A 65 10.295 -8.853 2.569 1.00 0.00 C ATOM 938 C ALA A 65 10.389 -7.371 2.916 1.00 0.00 C ATOM 939 O ALA A 65 9.744 -6.901 3.853 1.00 0.00 O ATOM 940 CB ALA A 65 11.675 -9.493 2.599 1.00 0.00 C ATOM 0 H ALA A 65 10.111 -9.772 0.694 1.00 0.00 H new ATOM 0 HA ALA A 65 9.667 -9.335 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.126 -9.340 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.585 -10.562 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.304 -9.037 1.835 1.00 0.00 H new ATOM 946 N ARG A 66 11.197 -6.640 2.155 1.00 0.00 N ATOM 947 CA ARG A 66 11.377 -5.211 2.384 1.00 0.00 C ATOM 948 C ARG A 66 10.031 -4.496 2.438 1.00 0.00 C ATOM 949 O ARG A 66 9.728 -3.794 3.404 1.00 0.00 O ATOM 950 CB ARG A 66 12.247 -4.602 1.282 1.00 0.00 C ATOM 951 CG ARG A 66 13.734 -4.627 1.596 1.00 0.00 C ATOM 952 CD ARG A 66 14.058 -3.789 2.823 1.00 0.00 C ATOM 953 NE ARG A 66 15.441 -3.319 2.815 1.00 0.00 N ATOM 954 CZ ARG A 66 16.468 -4.051 3.232 1.00 0.00 C ATOM 955 NH1 ARG A 66 16.269 -5.280 3.688 1.00 0.00 N ATOM 956 NH2 ARG A 66 17.698 -3.553 3.194 1.00 0.00 N ATOM 0 H ARG A 66 11.737 -7.013 1.375 1.00 0.00 H new ATOM 0 HA ARG A 66 11.876 -5.082 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.072 -5.143 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.937 -3.571 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.055 -5.655 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.294 -4.252 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.384 -2.933 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.881 -4.379 3.722 1.00 0.00 H new ATOM 0 HE ARG A 66 15.628 -2.377 2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.325 -5.666 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.060 -5.840 4.007 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.855 -2.608 2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.486 -4.116 3.514 1.00 0.00 H new ATOM 970 N ILE A 67 9.228 -4.677 1.395 1.00 0.00 N ATOM 971 CA ILE A 67 7.914 -4.049 1.324 1.00 0.00 C ATOM 972 C ILE A 67 7.238 -4.035 2.691 1.00 0.00 C ATOM 973 O ILE A 67 6.513 -3.098 3.026 1.00 0.00 O ATOM 974 CB ILE A 67 6.999 -4.771 0.318 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.545 -4.617 -1.103 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.581 -4.227 0.408 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.889 -5.541 -2.105 1.00 0.00 C ATOM 0 H ILE A 67 9.464 -5.253 0.587 1.00 0.00 H new ATOM 0 HA ILE A 67 8.071 -3.024 0.988 1.00 0.00 H new ATOM 0 HB ILE A 67 6.977 -5.832 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.407 -3.586 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.618 -4.807 -1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.946 -4.747 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.195 -4.383 1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.585 -3.161 0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.325 -5.377 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.050 -6.576 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.819 -5.336 -2.143 1.00 0.00 H new ATOM 989 N ILE A 68 7.481 -5.078 3.476 1.00 0.00 N ATOM 990 CA ILE A 68 6.898 -5.184 4.808 1.00 0.00 C ATOM 991 C ILE A 68 7.627 -4.286 5.801 1.00 0.00 C ATOM 992 O ILE A 68 7.007 -3.488 6.502 1.00 0.00 O ATOM 993 CB ILE A 68 6.933 -6.635 5.324 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.194 -7.562 4.356 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.322 -6.717 6.715 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.706 -7.297 4.283 1.00 0.00 C ATOM 0 H ILE A 68 8.078 -5.862 3.213 1.00 0.00 H new ATOM 0 HA ILE A 68 5.860 -4.861 4.724 1.00 0.00 H new ATOM 0 HB ILE A 68 7.972 -6.958 5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.624 -7.452 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.356 -8.596 4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.354 -7.748 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.887 -6.083 7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.287 -6.378 6.678 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.247 -7.990 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.263 -7.436 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.535 -6.274 3.949 1.00 0.00 H new ATOM 1008 N GLU A 69 8.949 -4.421 5.852 1.00 0.00 N ATOM 1009 CA GLU A 69 9.763 -3.620 6.759 1.00 0.00 C ATOM 1010 C GLU A 69 9.555 -2.129 6.504 1.00 0.00 C ATOM 1011 O GLU A 69 9.332 -1.354 7.434 1.00 0.00 O ATOM 1012 CB GLU A 69 11.243 -3.974 6.599 1.00 0.00 C ATOM 1013 CG GLU A 69 11.699 -5.106 7.505 1.00 0.00 C ATOM 1014 CD GLU A 69 12.013 -4.636 8.912 1.00 0.00 C ATOM 1015 OE1 GLU A 69 12.709 -3.609 9.054 1.00 0.00 O ATOM 1016 OE2 GLU A 69 11.562 -5.296 9.872 1.00 0.00 O ATOM 0 H GLU A 69 9.478 -5.076 5.277 1.00 0.00 H new ATOM 0 HA GLU A 69 9.451 -3.844 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.432 -4.251 5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.844 -3.089 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.922 -5.869 7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.585 -5.575 7.076 1.00 0.00 H new ATOM 1023 N LEU A 70 9.631 -1.736 5.237 1.00 0.00 N ATOM 1024 CA LEU A 70 9.452 -0.339 4.858 1.00 0.00 C ATOM 1025 C LEU A 70 8.118 0.197 5.369 1.00 0.00 C ATOM 1026 O LEU A 70 8.079 1.112 6.193 1.00 0.00 O ATOM 1027 CB LEU A 70 9.527 -0.189 3.338 1.00 0.00 C ATOM 1028 CG LEU A 70 10.931 -0.094 2.741 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.874 -0.193 1.224 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.605 1.202 3.167 1.00 0.00 C ATOM 0 H LEU A 70 9.815 -2.365 4.455 1.00 0.00 H new ATOM 0 HA LEU A 70 10.254 0.241 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.018 -1.039 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.972 0.705 3.053 1.00 0.00 H new ATOM 0 HG LEU A 70 11.522 -0.929 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.883 -0.123 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.432 -1.148 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.266 0.621 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.604 1.253 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.015 2.050 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.680 1.233 4.254 1.00 0.00 H new ATOM 1042 N LEU A 71 7.027 -0.378 4.875 1.00 0.00 N ATOM 1043 CA LEU A 71 5.691 0.040 5.283 1.00 0.00 C ATOM 1044 C LEU A 71 5.590 0.135 6.802 1.00 0.00 C ATOM 1045 O LEU A 71 5.158 1.153 7.344 1.00 0.00 O ATOM 1046 CB LEU A 71 4.644 -0.941 4.751 1.00 0.00 C ATOM 1047 CG LEU A 71 4.091 -0.641 3.358 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.286 -1.822 2.838 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.238 0.619 3.381 1.00 0.00 C ATOM 0 H LEU A 71 7.042 -1.135 4.191 1.00 0.00 H new ATOM 0 HA LEU A 71 5.502 1.028 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.083 -1.939 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.811 -0.968 5.453 1.00 0.00 H new ATOM 0 HG LEU A 71 4.931 -0.474 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.900 -1.590 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.926 -2.702 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.454 -2.021 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.853 0.816 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.404 0.482 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.845 1.463 3.709 1.00 0.00 H new ATOM 1061 N THR A 72 5.993 -0.932 7.485 1.00 0.00 N ATOM 1062 CA THR A 72 5.949 -0.969 8.941 1.00 0.00 C ATOM 1063 C THR A 72 6.740 0.186 9.545 1.00 0.00 C ATOM 1064 O THR A 72 6.258 0.880 10.439 1.00 0.00 O ATOM 1065 CB THR A 72 6.506 -2.297 9.487 1.00 0.00 C ATOM 1066 OG1 THR A 72 5.752 -3.396 8.962 1.00 0.00 O ATOM 1067 CG2 THR A 72 6.455 -2.322 11.007 1.00 0.00 C ATOM 0 H THR A 72 6.354 -1.782 7.052 1.00 0.00 H new ATOM 0 HA THR A 72 4.901 -0.878 9.227 1.00 0.00 H new ATOM 0 HB THR A 72 7.546 -2.386 9.173 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.056 -3.596 8.052 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.854 -3.270 11.369 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.052 -1.502 11.405 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.422 -2.213 11.338 1.00 0.00 H new ATOM 1075 N GLU A 73 7.957 0.387 9.048 1.00 0.00 N ATOM 1076 CA GLU A 73 8.814 1.459 9.540 1.00 0.00 C ATOM 1077 C GLU A 73 8.111 2.810 9.434 1.00 0.00 C ATOM 1078 O GLU A 73 8.284 3.680 10.287 1.00 0.00 O ATOM 1079 CB GLU A 73 10.128 1.493 8.756 1.00 0.00 C ATOM 1080 CG GLU A 73 11.137 0.453 9.214 1.00 0.00 C ATOM 1081 CD GLU A 73 12.563 0.831 8.866 1.00 0.00 C ATOM 1082 OE1 GLU A 73 12.873 0.934 7.661 1.00 0.00 O ATOM 1083 OE2 GLU A 73 13.370 1.025 9.799 1.00 0.00 O ATOM 0 H GLU A 73 8.371 -0.178 8.306 1.00 0.00 H new ATOM 0 HA GLU A 73 9.031 1.263 10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.914 1.339 7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.572 2.484 8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.053 0.321 10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.897 -0.507 8.756 1.00 0.00 H new ATOM 1090 N ALA A 74 7.320 2.977 8.380 1.00 0.00 N ATOM 1091 CA ALA A 74 6.590 4.220 8.162 1.00 0.00 C ATOM 1092 C ALA A 74 5.701 4.551 9.356 1.00 0.00 C ATOM 1093 O ALA A 74 4.822 3.771 9.723 1.00 0.00 O ATOM 1094 CB ALA A 74 5.758 4.127 6.891 1.00 0.00 C ATOM 0 H ALA A 74 7.168 2.267 7.663 1.00 0.00 H new ATOM 0 HA ALA A 74 7.317 5.025 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.218 5.062 6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.414 3.945 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.045 3.307 6.982 1.00 0.00 H new ATOM 1100 N TYR A 75 5.935 5.711 9.959 1.00 0.00 N ATOM 1101 CA TYR A 75 5.158 6.143 11.113 1.00 0.00 C ATOM 1102 C TYR A 75 4.255 7.320 10.753 1.00 0.00 C ATOM 1103 O TYR A 75 4.371 7.898 9.673 1.00 0.00 O ATOM 1104 CB TYR A 75 6.087 6.533 12.264 1.00 0.00 C ATOM 1105 CG TYR A 75 7.363 5.722 12.313 1.00 0.00 C ATOM 1106 CD1 TYR A 75 8.485 6.112 11.593 1.00 0.00 C ATOM 1107 CD2 TYR A 75 7.445 4.567 13.080 1.00 0.00 C ATOM 1108 CE1 TYR A 75 9.652 5.374 11.635 1.00 0.00 C ATOM 1109 CE2 TYR A 75 8.608 3.823 13.129 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.709 4.231 12.404 1.00 0.00 C ATOM 1111 OH TYR A 75 10.870 3.493 12.449 1.00 0.00 O ATOM 0 H TYR A 75 6.657 6.369 9.667 1.00 0.00 H new ATOM 0 HA TYR A 75 4.530 5.309 11.428 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.341 7.589 12.173 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.554 6.413 13.207 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.444 7.007 10.990 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.585 4.245 13.648 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.515 5.691 11.068 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.655 2.928 13.731 1.00 0.00 H new ATOM 0 HH TYR A 75 10.743 2.719 13.037 1.00 0.00 H new ATOM 1121 N GLY A 76 3.355 7.669 11.668 1.00 0.00 N ATOM 1122 CA GLY A 76 2.446 8.775 11.429 1.00 0.00 C ATOM 1123 C GLY A 76 1.833 8.732 10.044 1.00 0.00 C ATOM 1124 O GLY A 76 1.142 7.777 9.694 1.00 0.00 O ATOM 0 H GLY A 76 3.239 7.206 12.569 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.652 8.756 12.175 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.982 9.716 11.557 1.00 0.00 H new ATOM 1128 N GLU A 77 2.085 9.772 9.255 1.00 0.00 N ATOM 1129 CA GLU A 77 1.550 9.850 7.901 1.00 0.00 C ATOM 1130 C GLU A 77 2.270 8.875 6.974 1.00 0.00 C ATOM 1131 O GLU A 77 3.473 8.996 6.741 1.00 0.00 O ATOM 1132 CB GLU A 77 1.678 11.275 7.359 1.00 0.00 C ATOM 1133 CG GLU A 77 0.619 11.633 6.330 1.00 0.00 C ATOM 1134 CD GLU A 77 0.610 13.111 5.992 1.00 0.00 C ATOM 1135 OE1 GLU A 77 0.912 13.926 6.888 1.00 0.00 O ATOM 1136 OE2 GLU A 77 0.301 13.453 4.831 1.00 0.00 O ATOM 0 H GLU A 77 2.656 10.571 9.530 1.00 0.00 H new ATOM 0 HA GLU A 77 0.495 9.577 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.617 11.978 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.664 11.397 6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.792 11.057 5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.362 11.345 6.708 1.00 0.00 H new ATOM 1143 N VAL A 78 1.525 7.907 6.448 1.00 0.00 N ATOM 1144 CA VAL A 78 2.091 6.911 5.547 1.00 0.00 C ATOM 1145 C VAL A 78 1.470 7.011 4.158 1.00 0.00 C ATOM 1146 O VAL A 78 0.248 7.006 4.010 1.00 0.00 O ATOM 1147 CB VAL A 78 1.885 5.484 6.087 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.503 4.461 5.145 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.471 5.354 7.485 1.00 0.00 C ATOM 0 H VAL A 78 0.528 7.792 6.631 1.00 0.00 H new ATOM 0 HA VAL A 78 3.160 7.116 5.480 1.00 0.00 H new ATOM 0 HB VAL A 78 0.814 5.288 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.347 3.459 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.033 4.539 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.572 4.652 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.317 4.339 7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.539 5.570 7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.978 6.060 8.153 1.00 0.00 H new ATOM 1159 N HIS A 79 2.321 7.102 3.140 1.00 0.00 N ATOM 1160 CA HIS A 79 1.856 7.202 1.762 1.00 0.00 C ATOM 1161 C HIS A 79 1.940 5.850 1.060 1.00 0.00 C ATOM 1162 O HIS A 79 2.978 5.187 1.091 1.00 0.00 O ATOM 1163 CB HIS A 79 2.681 8.238 0.997 1.00 0.00 C ATOM 1164 CG HIS A 79 2.235 9.649 1.230 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.840 10.491 0.213 1.00 0.00 N ATOM 1166 CD2 HIS A 79 2.122 10.364 2.374 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.505 11.664 0.720 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.666 11.613 2.030 1.00 0.00 N ATOM 0 H HIS A 79 3.336 7.108 3.244 1.00 0.00 H new ATOM 0 HA HIS A 79 0.813 7.519 1.779 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.727 8.144 1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.625 8.019 -0.069 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.348 10.017 3.371 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.158 12.519 0.159 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.482 12.377 2.680 1.00 0.00 H new ATOM 1176 N ILE A 80 0.842 5.446 0.431 1.00 0.00 N ATOM 1177 CA ILE A 80 0.792 4.173 -0.278 1.00 0.00 C ATOM 1178 C ILE A 80 0.148 4.333 -1.651 1.00 0.00 C ATOM 1179 O ILE A 80 -1.018 4.710 -1.762 1.00 0.00 O ATOM 1180 CB ILE A 80 0.012 3.114 0.522 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.798 2.703 1.769 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.281 1.902 -0.349 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.048 2.015 2.818 1.00 0.00 C ATOM 0 H ILE A 80 -0.025 5.982 0.398 1.00 0.00 H new ATOM 0 HA ILE A 80 1.822 3.839 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.937 3.547 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.609 2.037 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.257 3.589 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.833 1.162 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.877 2.207 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.657 1.467 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.575 1.752 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.844 2.686 3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.486 1.110 2.396 1.00 0.00 H new ATOM 1195 N LYS A 81 0.916 4.042 -2.696 1.00 0.00 N ATOM 1196 CA LYS A 81 0.421 4.149 -4.063 1.00 0.00 C ATOM 1197 C LYS A 81 -0.097 2.804 -4.561 1.00 0.00 C ATOM 1198 O LYS A 81 0.682 1.900 -4.863 1.00 0.00 O ATOM 1199 CB LYS A 81 1.529 4.657 -4.989 1.00 0.00 C ATOM 1200 CG LYS A 81 1.017 5.179 -6.320 1.00 0.00 C ATOM 1201 CD LYS A 81 1.987 6.170 -6.941 1.00 0.00 C ATOM 1202 CE LYS A 81 1.740 7.584 -6.436 1.00 0.00 C ATOM 1203 NZ LYS A 81 2.826 8.517 -6.845 1.00 0.00 N ATOM 0 H LYS A 81 1.884 3.730 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.405 4.860 -4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.078 5.452 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.236 3.848 -5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.861 4.344 -7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.049 5.658 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.010 5.873 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.887 6.147 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.787 7.946 -6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.661 7.573 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.621 9.470 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.732 8.186 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.885 8.548 -7.883 1.00 0.00 H new ATOM 1217 N THR A 82 -1.418 2.679 -4.648 1.00 0.00 N ATOM 1218 CA THR A 82 -2.040 1.445 -5.110 1.00 0.00 C ATOM 1219 C THR A 82 -2.338 1.506 -6.604 1.00 0.00 C ATOM 1220 O THR A 82 -2.604 2.576 -7.150 1.00 0.00 O ATOM 1221 CB THR A 82 -3.347 1.155 -4.349 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.175 2.324 -4.334 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.056 0.715 -2.922 1.00 0.00 C ATOM 0 H THR A 82 -2.077 3.418 -4.404 1.00 0.00 H new ATOM 0 HA THR A 82 -1.330 0.641 -4.916 1.00 0.00 H new ATOM 0 HB THR A 82 -3.869 0.347 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.005 2.131 -3.850 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.994 0.516 -2.404 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.450 -0.191 -2.937 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.515 1.505 -2.401 1.00 0.00 H new ATOM 1231 N MET A 83 -2.292 0.350 -7.259 1.00 0.00 N ATOM 1232 CA MET A 83 -2.559 0.273 -8.691 1.00 0.00 C ATOM 1233 C MET A 83 -3.086 -1.107 -9.071 1.00 0.00 C ATOM 1234 O MET A 83 -2.590 -2.136 -8.611 1.00 0.00 O ATOM 1235 CB MET A 83 -1.290 0.584 -9.486 1.00 0.00 C ATOM 1236 CG MET A 83 -1.488 0.529 -10.992 1.00 0.00 C ATOM 1237 SD MET A 83 -1.965 2.122 -11.689 1.00 0.00 S ATOM 1238 CE MET A 83 -0.732 2.313 -12.973 1.00 0.00 C ATOM 0 H MET A 83 -2.073 -0.545 -6.822 1.00 0.00 H new ATOM 0 HA MET A 83 -3.321 1.014 -8.934 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.933 1.576 -9.211 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.511 -0.125 -9.204 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.565 0.192 -11.464 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.254 -0.210 -11.227 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.987 3.169 -13.597 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.245 2.473 -12.518 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.703 1.413 -13.587 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.115 -1.132 -9.932 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.730 -2.380 -10.393 1.00 0.00 C ATOM 1250 C PRO A 84 -3.812 -3.173 -11.316 1.00 0.00 C ATOM 1251 O PRO A 84 -3.453 -2.709 -12.398 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.971 -1.904 -11.154 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.636 -0.521 -11.595 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.756 0.055 -10.521 1.00 0.00 C ATOM 0 HA PRO A 84 -4.952 -3.054 -9.566 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.186 -2.550 -12.005 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.855 -1.913 -10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.122 -0.532 -12.556 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.538 0.077 -11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.020 0.746 -10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.335 0.608 -9.781 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.435 -4.371 -10.882 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.560 -5.229 -11.671 1.00 0.00 C ATOM 1264 C ALA A 85 -2.926 -5.175 -13.151 1.00 0.00 C ATOM 1265 O ALA A 85 -2.051 -5.120 -14.014 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.626 -6.662 -11.162 1.00 0.00 C ATOM 0 H ALA A 85 -3.722 -4.769 -9.988 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.539 -4.862 -11.562 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.968 -7.291 -11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.309 -6.693 -10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.649 -7.029 -11.241 1.00 0.00 H new ATOM 1272 N ALA A 86 -4.224 -5.190 -13.435 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.705 -5.141 -14.810 1.00 0.00 C ATOM 1274 C ALA A 86 -4.043 -4.005 -15.583 1.00 0.00 C ATOM 1275 O ALA A 86 -3.273 -4.240 -16.515 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.218 -4.987 -14.835 1.00 0.00 C ATOM 0 H ALA A 86 -4.961 -5.236 -12.731 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.438 -6.080 -15.295 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.563 -4.952 -15.868 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.678 -5.835 -14.327 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.498 -4.064 -14.327 1.00 0.00 H new ATOM 1282 N THR A 87 -4.347 -2.772 -15.191 1.00 0.00 N ATOM 1283 CA THR A 87 -3.784 -1.599 -15.847 1.00 0.00 C ATOM 1284 C THR A 87 -2.262 -1.670 -15.887 1.00 0.00 C ATOM 1285 O THR A 87 -1.660 -1.698 -16.961 1.00 0.00 O ATOM 1286 CB THR A 87 -4.207 -0.300 -15.137 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.599 -0.354 -14.805 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.938 0.911 -16.019 1.00 0.00 C ATOM 0 H THR A 87 -4.981 -2.560 -14.421 1.00 0.00 H new ATOM 0 HA THR A 87 -4.172 -1.590 -16.865 1.00 0.00 H new ATOM 0 HB THR A 87 -3.619 -0.203 -14.224 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.860 0.475 -14.352 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.245 1.817 -15.496 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.873 0.966 -16.247 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.503 0.818 -16.947 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.644 -1.700 -14.712 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.191 -1.766 -14.613 1.00 0.00 C ATOM 1298 C TYR A 88 0.381 -2.739 -15.638 1.00 0.00 C ATOM 1299 O TYR A 88 1.061 -2.335 -16.582 1.00 0.00 O ATOM 1300 CB TYR A 88 0.226 -2.189 -13.203 1.00 0.00 C ATOM 1301 CG TYR A 88 1.571 -1.643 -12.780 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.881 -0.298 -12.948 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.533 -2.470 -12.214 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.109 0.205 -12.564 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.763 -1.975 -11.826 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.046 -0.637 -12.003 1.00 0.00 C ATOM 1307 OH TYR A 88 5.270 -0.140 -11.619 1.00 0.00 O ATOM 0 H TYR A 88 -2.127 -1.680 -13.814 1.00 0.00 H new ATOM 0 HA TYR A 88 0.208 -0.773 -14.820 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.531 -1.855 -12.494 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.253 -3.277 -13.152 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.149 0.365 -13.386 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.315 -3.519 -12.075 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.334 1.252 -12.702 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.499 -2.632 -11.387 1.00 0.00 H new ATOM 0 HH TYR A 88 5.174 0.799 -11.356 1.00 0.00 H new ATOM 1317 N ARG A 89 0.100 -4.024 -15.446 1.00 0.00 N ATOM 1318 CA ARG A 89 0.586 -5.056 -16.353 1.00 0.00 C ATOM 1319 C ARG A 89 0.322 -4.672 -17.806 1.00 0.00 C ATOM 1320 O ARG A 89 1.179 -4.850 -18.673 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.081 -6.397 -16.039 1.00 0.00 C ATOM 1322 CG ARG A 89 0.276 -6.948 -14.669 1.00 0.00 C ATOM 1323 CD ARG A 89 -0.147 -8.402 -14.526 1.00 0.00 C ATOM 1324 NE ARG A 89 -1.532 -8.528 -14.081 1.00 0.00 N ATOM 1325 CZ ARG A 89 -2.576 -8.470 -14.900 1.00 0.00 C ATOM 1326 NH1 ARG A 89 -2.393 -8.289 -16.201 1.00 0.00 N ATOM 1327 NH2 ARG A 89 -3.807 -8.593 -14.419 1.00 0.00 N ATOM 0 H ARG A 89 -0.462 -4.375 -14.670 1.00 0.00 H new ATOM 0 HA ARG A 89 1.662 -5.151 -16.211 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.163 -6.279 -16.103 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.206 -7.123 -16.800 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.351 -6.863 -14.510 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.208 -6.349 -13.897 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.026 -8.910 -15.483 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.509 -8.902 -13.814 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.707 -8.668 -13.086 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.449 -8.194 -16.575 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.197 -8.245 -16.828 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.952 -8.732 -13.419 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.608 -8.548 -15.049 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.870 -4.146 -18.066 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.249 -3.737 -19.414 1.00 0.00 C ATOM 1343 C LEU A 90 -0.330 -2.632 -19.926 1.00 0.00 C ATOM 1344 O LEU A 90 0.000 -2.584 -21.112 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.701 -3.258 -19.434 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.769 -4.350 -19.361 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.055 -3.800 -18.765 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -4.027 -4.937 -20.741 1.00 0.00 C ATOM 0 H LEU A 90 -1.591 -3.993 -17.361 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.149 -4.601 -20.071 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.849 -2.576 -18.597 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.860 -2.682 -20.346 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.403 -5.146 -18.712 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.803 -4.591 -18.721 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.860 -3.429 -17.759 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.425 -2.985 -19.387 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.790 -5.712 -20.670 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.371 -4.150 -21.413 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.105 -5.369 -21.131 1.00 0.00 H new ATOM 1360 N LEU A 91 0.081 -1.747 -19.025 1.00 0.00 N ATOM 1361 CA LEU A 91 0.965 -0.643 -19.384 1.00 0.00 C ATOM 1362 C LEU A 91 2.367 -1.150 -19.705 1.00 0.00 C ATOM 1363 O LEU A 91 2.983 -0.729 -20.685 1.00 0.00 O ATOM 1364 CB LEU A 91 1.027 0.378 -18.246 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.310 0.980 -17.812 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.237 1.457 -16.369 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.704 2.125 -18.734 1.00 0.00 C ATOM 0 H LEU A 91 -0.184 -1.772 -18.040 1.00 0.00 H new ATOM 0 HA LEU A 91 0.561 -0.161 -20.274 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.486 -0.100 -17.380 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.687 1.190 -18.549 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.074 0.206 -17.880 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.197 1.882 -16.077 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.001 0.615 -15.719 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.540 2.216 -16.276 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.658 2.541 -18.410 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.061 2.901 -18.698 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.798 1.754 -19.755 1.00 0.00 H new ATOM 1379 N THR A 92 2.867 -2.059 -18.873 1.00 0.00 N ATOM 1380 CA THR A 92 4.196 -2.624 -19.068 1.00 0.00 C ATOM 1381 C THR A 92 4.233 -3.533 -20.291 1.00 0.00 C ATOM 1382 O THR A 92 5.292 -3.765 -20.873 1.00 0.00 O ATOM 1383 CB THR A 92 4.652 -3.425 -17.834 1.00 0.00 C ATOM 1384 OG1 THR A 92 3.620 -4.331 -17.429 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.997 -2.494 -16.682 1.00 0.00 C ATOM 0 H THR A 92 2.371 -2.419 -18.058 1.00 0.00 H new ATOM 0 HA THR A 92 4.876 -1.786 -19.221 1.00 0.00 H new ATOM 0 HB THR A 92 5.545 -3.989 -18.104 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.916 -4.351 -18.111 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.316 -3.082 -15.822 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.803 -1.825 -16.984 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.119 -1.906 -16.414 1.00 0.00 H new ATOM 1393 N GLY A 93 3.068 -4.045 -20.678 1.00 0.00 N ATOM 1394 CA GLY A 93 2.990 -4.922 -21.832 1.00 0.00 C ATOM 1395 C GLY A 93 2.169 -4.326 -22.959 1.00 0.00 C ATOM 1396 O GLY A 93 2.153 -3.110 -23.146 1.00 0.00 O ATOM 0 H GLY A 93 2.178 -3.868 -20.213 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.997 -5.133 -22.192 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.552 -5.874 -21.532 1.00 0.00 H new ATOM 1400 N GLN A 94 1.489 -5.185 -23.711 1.00 0.00 N ATOM 1401 CA GLN A 94 0.665 -4.736 -24.827 1.00 0.00 C ATOM 1402 C GLN A 94 -0.711 -4.291 -24.343 1.00 0.00 C ATOM 1403 O GLN A 94 -1.119 -3.150 -24.561 1.00 0.00 O ATOM 1404 CB GLN A 94 0.519 -5.852 -25.862 1.00 0.00 C ATOM 1405 CG GLN A 94 -0.281 -7.044 -25.363 1.00 0.00 C ATOM 1406 CD GLN A 94 0.143 -8.346 -26.013 1.00 0.00 C ATOM 1407 OE1 GLN A 94 1.333 -8.599 -26.202 1.00 0.00 O ATOM 1408 NE2 GLN A 94 -0.830 -9.180 -26.359 1.00 0.00 N ATOM 0 H GLN A 94 1.492 -6.195 -23.568 1.00 0.00 H new ATOM 0 HA GLN A 94 1.160 -3.883 -25.291 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.037 -5.449 -26.753 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.511 -6.190 -26.161 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.165 -7.127 -24.282 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.340 -6.873 -25.558 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.803 -8.929 -26.183 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.605 -10.071 -26.800 1.00 0.00 H new TER 1417 GLN A 94