USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 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 -150:sc= -0.324 (180deg=-1.78!) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00123 (180deg=-0.177) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.644 F(o=-2.9!,f=-0.64) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0217 USER MOD Single : A 9 GLN : amide:sc= -3.67! C(o=-3.7!,f=-4.1!) USER MOD Single : A 33 ASN : amide:sc= -0.0602 X(o=-0.06,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0106) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -13.3! C(o=-13!,f=-17!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.052 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 162:sc= 0.139 USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= -7.1! (180deg=-7.93!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.672 14.890 1.679 1.00 0.00 N ATOM 2 CA MET A 1 -1.869 13.495 2.164 1.00 0.00 C ATOM 3 C MET A 1 -2.317 13.516 3.625 1.00 0.00 C ATOM 4 O MET A 1 -1.734 14.183 4.456 1.00 0.00 O ATOM 5 CB MET A 1 -0.554 12.721 2.052 1.00 0.00 C ATOM 6 CG MET A 1 -0.222 12.493 0.578 1.00 0.00 C ATOM 7 SD MET A 1 1.265 11.470 0.445 1.00 0.00 S ATOM 8 CE MET A 1 2.385 12.583 1.330 1.00 0.00 C ATOM 0 H1 MET A 1 -1.602 14.890 0.641 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.480 15.476 1.971 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.797 15.278 2.085 1.00 0.00 H new ATOM 0 HA MET A 1 -2.632 13.010 1.555 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.250 13.276 2.535 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.637 11.765 2.569 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.058 12.005 0.077 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.065 13.449 0.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.397 12.463 0.944 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.062 13.614 1.186 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.371 12.344 2.393 1.00 0.00 H new ATOM 20 N GLN A 2 -3.345 12.781 3.944 1.00 0.00 N ATOM 21 CA GLN A 2 -3.827 12.747 5.353 1.00 0.00 C ATOM 22 C GLN A 2 -3.337 11.457 6.010 1.00 0.00 C ATOM 23 O GLN A 2 -3.458 10.384 5.453 1.00 0.00 O ATOM 24 CB GLN A 2 -5.357 12.782 5.370 1.00 0.00 C ATOM 25 CG GLN A 2 -5.846 14.080 4.727 1.00 0.00 C ATOM 26 CD GLN A 2 -7.368 14.171 4.855 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.024 13.188 5.407 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -7.966 15.148 4.448 1.00 0.00 N flip ATOM 0 H GLN A 2 -3.872 12.202 3.290 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.443 13.609 5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.757 11.924 4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.721 12.712 6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.378 14.937 5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.556 14.110 3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.453 15.917 4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.981 15.199 4.538 1.00 0.00 H new ATOM 37 N HIS A 3 -2.779 11.547 7.185 1.00 0.00 N ATOM 38 CA HIS A 3 -2.280 10.317 7.857 1.00 0.00 C ATOM 39 C HIS A 3 -1.343 9.576 6.903 1.00 0.00 C ATOM 40 O HIS A 3 -1.320 8.362 6.854 1.00 0.00 O ATOM 41 CB HIS A 3 -3.463 9.415 8.215 1.00 0.00 C ATOM 42 CG HIS A 3 -4.486 10.208 8.980 1.00 0.00 C ATOM 43 ND1 HIS A 3 -4.265 10.641 10.281 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.740 10.654 8.644 1.00 0.00 C ATOM 45 CE1 HIS A 3 -5.362 11.315 10.675 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.287 11.351 9.715 1.00 0.00 N ATOM 0 H HIS A 3 -2.648 12.414 7.706 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.744 10.585 8.768 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.909 9.005 7.309 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.122 8.570 8.813 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.227 10.489 7.694 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.478 11.770 11.648 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.204 11.797 9.758 1.00 0.00 H new ATOM 55 N ALA A 4 -0.575 10.301 6.136 1.00 0.00 N ATOM 56 CA ALA A 4 0.356 9.647 5.174 1.00 0.00 C ATOM 57 C ALA A 4 1.346 8.759 5.932 1.00 0.00 C ATOM 58 O ALA A 4 1.776 7.735 5.439 1.00 0.00 O ATOM 59 CB ALA A 4 1.124 10.721 4.403 1.00 0.00 C ATOM 0 H ALA A 4 -0.553 11.321 6.135 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.217 9.034 4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.806 10.245 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.421 11.351 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.694 11.333 5.102 1.00 0.00 H new ATOM 65 N SER A 5 1.720 9.144 7.121 1.00 0.00 N ATOM 66 CA SER A 5 2.689 8.319 7.897 1.00 0.00 C ATOM 67 C SER A 5 2.095 6.934 8.165 1.00 0.00 C ATOM 68 O SER A 5 2.797 5.943 8.184 1.00 0.00 O ATOM 69 CB SER A 5 2.996 9.008 9.227 1.00 0.00 C ATOM 70 OG SER A 5 1.833 8.987 10.045 1.00 0.00 O ATOM 0 H SER A 5 1.398 9.992 7.588 1.00 0.00 H new ATOM 0 HA SER A 5 3.608 8.210 7.321 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.819 8.501 9.731 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.314 10.036 9.053 1.00 0.00 H new ATOM 0 HG SER A 5 2.026 9.426 10.899 1.00 0.00 H new ATOM 76 N VAL A 6 0.809 6.855 8.367 1.00 0.00 N ATOM 77 CA VAL A 6 0.181 5.529 8.627 1.00 0.00 C ATOM 78 C VAL A 6 0.290 4.663 7.374 1.00 0.00 C ATOM 79 O VAL A 6 0.531 3.475 7.445 1.00 0.00 O ATOM 80 CB VAL A 6 -1.290 5.715 8.991 1.00 0.00 C ATOM 81 CG1 VAL A 6 -1.986 4.352 9.021 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.393 6.369 10.370 1.00 0.00 C ATOM 0 H VAL A 6 0.168 7.648 8.363 1.00 0.00 H new ATOM 0 HA VAL A 6 0.696 5.042 9.455 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.771 6.351 8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.036 4.485 9.281 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.912 3.884 8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.506 3.715 9.764 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.443 6.503 10.632 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.912 5.731 11.112 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.898 7.340 10.350 1.00 0.00 H new ATOM 92 N ILE A 7 0.108 5.249 6.226 1.00 0.00 N ATOM 93 CA ILE A 7 0.196 4.464 4.966 1.00 0.00 C ATOM 94 C ILE A 7 1.583 3.835 4.839 1.00 0.00 C ATOM 95 O ILE A 7 1.721 2.683 4.478 1.00 0.00 O ATOM 96 CB ILE A 7 -0.053 5.386 3.777 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.465 5.969 3.878 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.083 4.585 2.481 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.650 7.055 2.818 1.00 0.00 C ATOM 0 H ILE A 7 -0.098 6.241 6.106 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.555 3.674 4.983 1.00 0.00 H new ATOM 0 HB ILE A 7 0.675 6.198 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.205 5.181 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.627 6.386 4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.094 5.240 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.088 4.167 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.647 3.776 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.656 7.468 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.919 7.848 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.507 6.624 1.827 1.00 0.00 H new ATOM 111 N ALA A 8 2.614 4.579 5.128 1.00 0.00 N ATOM 112 CA ALA A 8 3.986 4.011 5.016 1.00 0.00 C ATOM 113 C ALA A 8 4.137 2.859 6.005 1.00 0.00 C ATOM 114 O ALA A 8 4.602 1.790 5.665 1.00 0.00 O ATOM 115 CB ALA A 8 5.019 5.094 5.334 1.00 0.00 C ATOM 0 H ALA A 8 2.567 5.550 5.435 1.00 0.00 H new ATOM 0 HA ALA A 8 4.146 3.647 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.022 4.676 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.910 5.918 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.861 5.461 6.348 1.00 0.00 H new ATOM 121 N GLN A 9 3.734 3.063 7.225 1.00 0.00 N ATOM 122 CA GLN A 9 3.842 1.974 8.232 1.00 0.00 C ATOM 123 C GLN A 9 2.843 0.874 7.878 1.00 0.00 C ATOM 124 O GLN A 9 3.100 -0.295 8.066 1.00 0.00 O ATOM 125 CB GLN A 9 3.584 2.540 9.641 1.00 0.00 C ATOM 126 CG GLN A 9 2.146 2.267 10.090 1.00 0.00 C ATOM 127 CD GLN A 9 1.998 0.803 10.515 1.00 0.00 C ATOM 128 OE1 GLN A 9 2.878 0.249 11.143 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.913 0.152 10.197 1.00 0.00 N ATOM 0 H GLN A 9 3.335 3.936 7.569 1.00 0.00 H new ATOM 0 HA GLN A 9 4.845 1.548 8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.281 2.092 10.349 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.772 3.614 9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.885 2.923 10.920 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.454 2.490 9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.175 0.618 9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.803 -0.823 10.476 1.00 0.00 H new ATOM 138 N PHE A 10 1.708 1.245 7.356 1.00 0.00 N ATOM 139 CA PHE A 10 0.688 0.230 6.978 1.00 0.00 C ATOM 140 C PHE A 10 1.237 -0.643 5.851 1.00 0.00 C ATOM 141 O PHE A 10 1.214 -1.853 5.921 1.00 0.00 O ATOM 142 CB PHE A 10 -0.573 0.958 6.507 1.00 0.00 C ATOM 143 CG PHE A 10 -1.684 -0.031 6.249 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.437 -0.533 7.317 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.971 -0.433 4.939 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.478 -1.437 7.075 1.00 0.00 C ATOM 147 CE2 PHE A 10 -3.010 -1.339 4.697 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.763 -1.840 5.765 1.00 0.00 C ATOM 0 H PHE A 10 1.442 2.213 7.174 1.00 0.00 H new ATOM 0 HA PHE A 10 0.449 -0.403 7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.887 1.680 7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.359 1.520 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.215 -0.223 8.327 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.391 -0.044 4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.061 -1.823 7.898 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.230 -1.651 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.565 -2.539 5.578 1.00 0.00 H new ATOM 158 N VAL A 11 1.733 -0.033 4.814 1.00 0.00 N ATOM 159 CA VAL A 11 2.288 -0.819 3.677 1.00 0.00 C ATOM 160 C VAL A 11 3.588 -1.503 4.108 1.00 0.00 C ATOM 161 O VAL A 11 3.826 -2.657 3.812 1.00 0.00 O ATOM 162 CB VAL A 11 2.580 0.128 2.515 1.00 0.00 C ATOM 163 CG1 VAL A 11 3.098 -0.673 1.320 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.297 0.865 2.129 1.00 0.00 C ATOM 0 H VAL A 11 1.779 0.980 4.703 1.00 0.00 H new ATOM 0 HA VAL A 11 1.567 -1.576 3.370 1.00 0.00 H new ATOM 0 HB VAL A 11 3.337 0.853 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.306 0.004 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.013 -1.195 1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.345 -1.399 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.502 1.542 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.539 0.142 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.935 1.437 2.983 1.00 0.00 H new ATOM 174 N VAL A 12 4.431 -0.788 4.798 1.00 0.00 N ATOM 175 CA VAL A 12 5.726 -1.368 5.250 1.00 0.00 C ATOM 176 C VAL A 12 5.475 -2.515 6.236 1.00 0.00 C ATOM 177 O VAL A 12 6.211 -3.480 6.274 1.00 0.00 O ATOM 178 CB VAL A 12 6.559 -0.273 5.917 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.884 -0.855 6.413 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.846 0.835 4.901 1.00 0.00 C ATOM 0 H VAL A 12 4.277 0.183 5.071 1.00 0.00 H new ATOM 0 HA VAL A 12 6.267 -1.764 4.391 1.00 0.00 H new ATOM 0 HB VAL A 12 6.004 0.133 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.472 -0.069 6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.686 -1.646 7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.440 -1.265 5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.440 1.617 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.398 0.421 4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.905 1.257 4.548 1.00 0.00 H new ATOM 190 N GLU A 13 4.453 -2.415 7.040 1.00 0.00 N ATOM 191 CA GLU A 13 4.174 -3.498 8.028 1.00 0.00 C ATOM 192 C GLU A 13 4.063 -4.839 7.306 1.00 0.00 C ATOM 193 O GLU A 13 4.410 -5.873 7.843 1.00 0.00 O ATOM 194 CB GLU A 13 2.861 -3.206 8.753 1.00 0.00 C ATOM 195 CG GLU A 13 2.620 -4.269 9.823 1.00 0.00 C ATOM 196 CD GLU A 13 1.258 -4.033 10.478 1.00 0.00 C ATOM 197 OE1 GLU A 13 0.577 -3.109 10.064 1.00 0.00 O ATOM 198 OE2 GLU A 13 0.918 -4.781 11.380 1.00 0.00 O ATOM 0 H GLU A 13 3.799 -1.632 7.057 1.00 0.00 H new ATOM 0 HA GLU A 13 4.989 -3.540 8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.898 -2.217 9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.035 -3.197 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.654 -5.263 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.409 -4.229 10.574 1.00 0.00 H new ATOM 205 N GLU A 14 3.581 -4.835 6.098 1.00 0.00 N ATOM 206 CA GLU A 14 3.448 -6.117 5.353 1.00 0.00 C ATOM 207 C GLU A 14 4.834 -6.707 5.082 1.00 0.00 C ATOM 208 O GLU A 14 5.005 -7.909 5.029 1.00 0.00 O ATOM 209 CB GLU A 14 2.734 -5.867 4.025 1.00 0.00 C ATOM 210 CG GLU A 14 2.481 -7.204 3.332 1.00 0.00 C ATOM 211 CD GLU A 14 1.828 -6.959 1.972 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.578 -5.807 1.658 1.00 0.00 O ATOM 213 OE2 GLU A 14 1.588 -7.926 1.268 1.00 0.00 O ATOM 0 H GLU A 14 3.274 -4.003 5.594 1.00 0.00 H new ATOM 0 HA GLU A 14 2.868 -6.819 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.791 -5.349 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.340 -5.223 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.420 -7.743 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.836 -7.829 3.949 1.00 0.00 H new ATOM 220 N PHE A 15 5.826 -5.877 4.906 1.00 0.00 N ATOM 221 CA PHE A 15 7.194 -6.404 4.635 1.00 0.00 C ATOM 222 C PHE A 15 8.232 -5.569 5.392 1.00 0.00 C ATOM 223 O PHE A 15 9.260 -5.208 4.856 1.00 0.00 O ATOM 224 CB PHE A 15 7.475 -6.333 3.131 1.00 0.00 C ATOM 225 CG PHE A 15 7.556 -4.889 2.695 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.383 -4.152 2.495 1.00 0.00 C ATOM 227 CD2 PHE A 15 8.804 -4.285 2.495 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.456 -2.813 2.094 1.00 0.00 C ATOM 229 CE2 PHE A 15 8.877 -2.946 2.094 1.00 0.00 C ATOM 230 CZ PHE A 15 7.704 -2.210 1.894 1.00 0.00 C ATOM 0 H PHE A 15 5.749 -4.860 4.938 1.00 0.00 H new ATOM 0 HA PHE A 15 7.256 -7.439 4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.409 -6.845 2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.687 -6.846 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.421 -4.617 2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.710 -4.852 2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.550 -2.245 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 15 9.839 -2.481 1.939 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.761 -1.177 1.585 1.00 0.00 H new ATOM 240 N LEU A 16 7.976 -5.257 6.634 1.00 0.00 N ATOM 241 CA LEU A 16 8.954 -4.446 7.409 1.00 0.00 C ATOM 242 C LEU A 16 10.086 -5.343 7.930 1.00 0.00 C ATOM 243 O LEU A 16 9.837 -6.373 8.523 1.00 0.00 O ATOM 244 CB LEU A 16 8.240 -3.747 8.585 1.00 0.00 C ATOM 245 CG LEU A 16 8.341 -4.553 9.895 1.00 0.00 C ATOM 246 CD1 LEU A 16 7.634 -3.777 11.007 1.00 0.00 C ATOM 247 CD2 LEU A 16 7.662 -5.919 9.741 1.00 0.00 C ATOM 0 H LEU A 16 7.134 -5.528 7.143 1.00 0.00 H new ATOM 0 HA LEU A 16 9.384 -3.686 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.675 -2.759 8.735 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.190 -3.598 8.333 1.00 0.00 H new ATOM 0 HG LEU A 16 9.393 -4.704 10.137 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.699 -4.338 11.940 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.112 -2.806 11.134 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.587 -3.634 10.742 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.744 -6.473 10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.610 -5.777 9.494 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.149 -6.480 8.943 1.00 0.00 H new ATOM 259 N PRO A 17 11.324 -4.954 7.735 1.00 0.00 N ATOM 260 CA PRO A 17 12.484 -5.742 8.229 1.00 0.00 C ATOM 261 C PRO A 17 12.656 -5.548 9.740 1.00 0.00 C ATOM 262 O PRO A 17 11.703 -5.290 10.447 1.00 0.00 O ATOM 263 CB PRO A 17 13.668 -5.153 7.456 1.00 0.00 C ATOM 264 CG PRO A 17 13.280 -3.741 7.175 1.00 0.00 C ATOM 265 CD PRO A 17 11.762 -3.731 7.032 1.00 0.00 C ATOM 0 HA PRO A 17 12.376 -6.816 8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.586 -5.201 8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.850 -5.704 6.533 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.598 -3.083 7.983 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.758 -3.381 6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.326 -2.837 7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.460 -3.744 5.985 1.00 0.00 H new ATOM 273 N ASP A 18 13.851 -5.650 10.243 1.00 0.00 N ATOM 274 CA ASP A 18 14.054 -5.450 11.699 1.00 0.00 C ATOM 275 C ASP A 18 14.045 -3.948 11.994 1.00 0.00 C ATOM 276 O ASP A 18 14.428 -3.510 13.060 1.00 0.00 O ATOM 277 CB ASP A 18 15.399 -6.053 12.107 1.00 0.00 C ATOM 278 CG ASP A 18 16.537 -5.315 11.397 1.00 0.00 C ATOM 279 OD1 ASP A 18 16.276 -4.271 10.821 1.00 0.00 O ATOM 280 OD2 ASP A 18 17.652 -5.809 11.437 1.00 0.00 O ATOM 0 H ASP A 18 14.694 -5.863 9.709 1.00 0.00 H new ATOM 0 HA ASP A 18 13.259 -5.938 12.262 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.526 -5.983 13.187 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.425 -7.112 11.851 1.00 0.00 H new ATOM 285 N VAL A 19 13.614 -3.158 11.044 1.00 0.00 N ATOM 286 CA VAL A 19 13.581 -1.681 11.246 1.00 0.00 C ATOM 287 C VAL A 19 12.130 -1.194 11.265 1.00 0.00 C ATOM 288 O VAL A 19 11.320 -1.596 10.453 1.00 0.00 O ATOM 289 CB VAL A 19 14.319 -1.001 10.092 1.00 0.00 C ATOM 290 CG1 VAL A 19 14.460 0.495 10.382 1.00 0.00 C ATOM 291 CG2 VAL A 19 15.709 -1.624 9.939 1.00 0.00 C ATOM 0 H VAL A 19 13.282 -3.476 10.133 1.00 0.00 H new ATOM 0 HA VAL A 19 14.060 -1.435 12.194 1.00 0.00 H new ATOM 0 HB VAL A 19 13.754 -1.139 9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.986 0.977 9.558 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.471 0.939 10.490 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.024 0.635 11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.236 -1.140 9.117 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.273 -1.487 10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.609 -2.689 9.729 1.00 0.00 H new ATOM 301 N ALA A 20 11.796 -0.323 12.178 1.00 0.00 N ATOM 302 CA ALA A 20 10.400 0.194 12.234 1.00 0.00 C ATOM 303 C ALA A 20 10.175 1.155 11.053 1.00 0.00 C ATOM 304 O ALA A 20 11.028 1.967 10.755 1.00 0.00 O ATOM 305 CB ALA A 20 10.194 0.951 13.548 1.00 0.00 C ATOM 0 H ALA A 20 12.428 0.052 12.886 1.00 0.00 H new ATOM 0 HA ALA A 20 9.695 -0.635 12.176 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.173 1.331 13.593 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.368 0.277 14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.894 1.785 13.601 1.00 0.00 H new ATOM 311 N PRO A 21 9.045 1.083 10.381 1.00 0.00 N ATOM 312 CA PRO A 21 8.756 1.989 9.230 1.00 0.00 C ATOM 313 C PRO A 21 9.036 3.455 9.570 1.00 0.00 C ATOM 314 O PRO A 21 9.440 4.233 8.729 1.00 0.00 O ATOM 315 CB PRO A 21 7.265 1.791 8.962 1.00 0.00 C ATOM 316 CG PRO A 21 6.920 0.452 9.526 1.00 0.00 C ATOM 317 CD PRO A 21 7.934 0.146 10.629 1.00 0.00 C ATOM 0 HA PRO A 21 9.386 1.757 8.371 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.676 2.577 9.434 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.052 1.831 7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.906 0.454 9.926 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.955 -0.312 8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.502 0.296 11.618 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.271 -0.890 10.582 1.00 0.00 H new ATOM 325 N ALA A 22 8.829 3.835 10.800 1.00 0.00 N ATOM 326 CA ALA A 22 9.087 5.246 11.200 1.00 0.00 C ATOM 327 C ALA A 22 10.584 5.537 11.081 1.00 0.00 C ATOM 328 O ALA A 22 10.997 6.663 10.885 1.00 0.00 O ATOM 329 CB ALA A 22 8.640 5.454 12.648 1.00 0.00 C ATOM 0 H ALA A 22 8.492 3.228 11.547 1.00 0.00 H new ATOM 0 HA ALA A 22 8.530 5.920 10.549 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.828 6.487 12.942 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.575 5.241 12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.198 4.783 13.301 1.00 0.00 H new ATOM 335 N ASP A 23 11.398 4.525 11.195 1.00 0.00 N ATOM 336 CA ASP A 23 12.870 4.728 11.088 1.00 0.00 C ATOM 337 C ASP A 23 13.322 4.359 9.677 1.00 0.00 C ATOM 338 O ASP A 23 14.496 4.374 9.363 1.00 0.00 O ATOM 339 CB ASP A 23 13.585 3.837 12.106 1.00 0.00 C ATOM 340 CG ASP A 23 13.250 4.307 13.522 1.00 0.00 C ATOM 341 OD1 ASP A 23 12.712 5.395 13.652 1.00 0.00 O ATOM 342 OD2 ASP A 23 13.536 3.572 14.453 1.00 0.00 O ATOM 0 H ASP A 23 11.106 3.562 11.358 1.00 0.00 H new ATOM 0 HA ASP A 23 13.114 5.771 11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.279 2.799 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.662 3.875 11.945 1.00 0.00 H new ATOM 347 N VAL A 24 12.392 4.033 8.823 1.00 0.00 N ATOM 348 CA VAL A 24 12.752 3.667 7.427 1.00 0.00 C ATOM 349 C VAL A 24 12.373 4.823 6.505 1.00 0.00 C ATOM 350 O VAL A 24 11.323 5.418 6.642 1.00 0.00 O ATOM 351 CB VAL A 24 11.988 2.409 7.011 1.00 0.00 C ATOM 352 CG1 VAL A 24 12.416 1.992 5.603 1.00 0.00 C ATOM 353 CG2 VAL A 24 12.299 1.276 7.993 1.00 0.00 C ATOM 0 H VAL A 24 11.394 4.005 9.034 1.00 0.00 H new ATOM 0 HA VAL A 24 13.822 3.471 7.359 1.00 0.00 H new ATOM 0 HB VAL A 24 10.918 2.616 7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.871 1.095 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.196 2.798 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.486 1.785 5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.755 0.379 7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.369 1.071 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.994 1.571 8.997 1.00 0.00 H new ATOM 363 N ASP A 25 13.219 5.154 5.573 1.00 0.00 N ATOM 364 CA ASP A 25 12.899 6.281 4.658 1.00 0.00 C ATOM 365 C ASP A 25 11.697 5.909 3.790 1.00 0.00 C ATOM 366 O ASP A 25 11.829 5.246 2.781 1.00 0.00 O ATOM 367 CB ASP A 25 14.106 6.569 3.762 1.00 0.00 C ATOM 368 CG ASP A 25 15.262 7.093 4.615 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.020 7.436 5.760 1.00 0.00 O ATOM 370 OD2 ASP A 25 16.371 7.143 4.108 1.00 0.00 O ATOM 0 H ASP A 25 14.114 4.695 5.406 1.00 0.00 H new ATOM 0 HA ASP A 25 12.662 7.168 5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.408 5.662 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.840 7.303 3.001 1.00 0.00 H new ATOM 375 N VAL A 26 10.524 6.338 4.172 1.00 0.00 N ATOM 376 CA VAL A 26 9.313 6.013 3.364 1.00 0.00 C ATOM 377 C VAL A 26 9.470 6.600 1.958 1.00 0.00 C ATOM 378 O VAL A 26 8.574 6.527 1.141 1.00 0.00 O ATOM 379 CB VAL A 26 8.078 6.617 4.033 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.029 6.186 5.500 1.00 0.00 C ATOM 381 CG2 VAL A 26 8.151 8.144 3.954 1.00 0.00 C ATOM 0 H VAL A 26 10.352 6.898 5.007 1.00 0.00 H new ATOM 0 HA VAL A 26 9.197 4.931 3.297 1.00 0.00 H new ATOM 0 HB VAL A 26 7.181 6.268 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.148 6.617 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.978 5.099 5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.926 6.535 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.271 8.575 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.048 8.492 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.186 8.453 2.909 1.00 0.00 H new ATOM 391 N ASP A 27 10.608 7.171 1.667 1.00 0.00 N ATOM 392 CA ASP A 27 10.831 7.750 0.313 1.00 0.00 C ATOM 393 C ASP A 27 11.474 6.687 -0.578 1.00 0.00 C ATOM 394 O ASP A 27 11.929 6.966 -1.670 1.00 0.00 O ATOM 395 CB ASP A 27 11.761 8.960 0.421 1.00 0.00 C ATOM 396 CG ASP A 27 11.061 10.075 1.200 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.861 9.974 1.391 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.738 11.012 1.592 1.00 0.00 O ATOM 0 H ASP A 27 11.394 7.261 2.311 1.00 0.00 H new ATOM 0 HA ASP A 27 9.881 8.067 -0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.686 8.677 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.033 9.313 -0.574 1.00 0.00 H new ATOM 403 N LEU A 28 11.517 5.468 -0.113 1.00 0.00 N ATOM 404 CA LEU A 28 12.131 4.377 -0.920 1.00 0.00 C ATOM 405 C LEU A 28 11.090 3.806 -1.876 1.00 0.00 C ATOM 406 O LEU A 28 9.982 3.491 -1.489 1.00 0.00 O ATOM 407 CB LEU A 28 12.617 3.267 0.017 1.00 0.00 C ATOM 408 CG LEU A 28 13.375 2.198 -0.781 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.819 2.650 -1.013 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.373 0.884 0.004 1.00 0.00 C ATOM 0 H LEU A 28 11.152 5.180 0.795 1.00 0.00 H new ATOM 0 HA LEU A 28 12.972 4.773 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.266 3.687 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.768 2.815 0.530 1.00 0.00 H new ATOM 0 HG LEU A 28 12.886 2.052 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.352 1.887 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.822 3.586 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.312 2.799 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.911 0.122 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.861 1.035 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.345 0.558 0.165 1.00 0.00 H new ATOM 422 N ASP A 29 11.439 3.659 -3.122 1.00 0.00 N ATOM 423 CA ASP A 29 10.469 3.096 -4.093 1.00 0.00 C ATOM 424 C ASP A 29 10.247 1.622 -3.761 1.00 0.00 C ATOM 425 O ASP A 29 11.173 0.835 -3.746 1.00 0.00 O ATOM 426 CB ASP A 29 11.029 3.226 -5.511 1.00 0.00 C ATOM 427 CG ASP A 29 11.101 4.704 -5.899 1.00 0.00 C ATOM 428 OD1 ASP A 29 10.524 5.511 -5.188 1.00 0.00 O ATOM 429 OD2 ASP A 29 11.731 5.004 -6.900 1.00 0.00 O ATOM 0 H ASP A 29 12.351 3.904 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 29 9.524 3.637 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.021 2.777 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.396 2.685 -6.214 1.00 0.00 H new ATOM 434 N LEU A 30 9.032 1.240 -3.490 1.00 0.00 N ATOM 435 CA LEU A 30 8.767 -0.184 -3.155 1.00 0.00 C ATOM 436 C LEU A 30 8.937 -1.034 -4.415 1.00 0.00 C ATOM 437 O LEU A 30 8.637 -2.211 -4.427 1.00 0.00 O ATOM 438 CB LEU A 30 7.338 -0.333 -2.624 1.00 0.00 C ATOM 439 CG LEU A 30 6.362 0.283 -3.625 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.208 -0.689 -3.879 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.810 1.593 -3.060 1.00 0.00 C ATOM 0 H LEU A 30 8.214 1.850 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 30 9.468 -0.516 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.103 -1.386 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.244 0.160 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 30 6.882 0.482 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.512 -0.249 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.601 -1.622 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.688 -0.889 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.114 2.032 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.291 1.395 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.631 2.287 -2.880 1.00 0.00 H new ATOM 453 N VAL A 31 9.418 -0.445 -5.479 1.00 0.00 N ATOM 454 CA VAL A 31 9.604 -1.223 -6.735 1.00 0.00 C ATOM 455 C VAL A 31 10.416 -2.479 -6.427 1.00 0.00 C ATOM 456 O VAL A 31 10.133 -3.551 -6.923 1.00 0.00 O ATOM 457 CB VAL A 31 10.348 -0.367 -7.762 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.828 -0.285 -7.385 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.211 -1.001 -9.148 1.00 0.00 C ATOM 0 H VAL A 31 9.688 0.537 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 31 8.633 -1.505 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 31 9.921 0.636 -7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.357 0.325 -8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.928 0.166 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.256 -1.287 -7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.741 -0.392 -9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.638 -2.004 -9.133 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.157 -1.059 -9.419 1.00 0.00 H new ATOM 469 N ASP A 32 11.413 -2.359 -5.596 1.00 0.00 N ATOM 470 CA ASP A 32 12.225 -3.555 -5.240 1.00 0.00 C ATOM 471 C ASP A 32 11.291 -4.603 -4.641 1.00 0.00 C ATOM 472 O ASP A 32 11.421 -5.787 -4.881 1.00 0.00 O ATOM 473 CB ASP A 32 13.292 -3.167 -4.214 1.00 0.00 C ATOM 474 CG ASP A 32 14.261 -4.334 -4.018 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.131 -5.313 -4.734 1.00 0.00 O ATOM 476 OD2 ASP A 32 15.117 -4.229 -3.155 1.00 0.00 O ATOM 0 H ASP A 32 11.700 -1.488 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 32 12.720 -3.953 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.834 -2.284 -4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.822 -2.908 -3.265 1.00 0.00 H new ATOM 481 N ASN A 33 10.334 -4.161 -3.873 1.00 0.00 N ATOM 482 CA ASN A 33 9.360 -5.100 -3.259 1.00 0.00 C ATOM 483 C ASN A 33 8.209 -5.312 -4.241 1.00 0.00 C ATOM 484 O ASN A 33 7.153 -5.798 -3.887 1.00 0.00 O ATOM 485 CB ASN A 33 8.826 -4.502 -1.960 1.00 0.00 C ATOM 486 CG ASN A 33 9.990 -4.234 -1.007 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.526 -5.146 -0.410 1.00 0.00 O ATOM 488 ND2 ASN A 33 10.412 -3.011 -0.845 1.00 0.00 N ATOM 0 H ASN A 33 10.186 -3.178 -3.644 1.00 0.00 H new ATOM 0 HA ASN A 33 9.842 -6.053 -3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.290 -3.575 -2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.114 -5.186 -1.498 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.193 -2.820 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.962 -2.245 -1.347 1.00 0.00 H new ATOM 495 N GLY A 34 8.411 -4.932 -5.474 1.00 0.00 N ATOM 496 CA GLY A 34 7.342 -5.086 -6.500 1.00 0.00 C ATOM 497 C GLY A 34 6.666 -6.448 -6.351 1.00 0.00 C ATOM 498 O GLY A 34 5.598 -6.677 -6.877 1.00 0.00 O ATOM 0 H GLY A 34 9.278 -4.518 -5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.604 -4.291 -6.391 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.768 -4.990 -7.498 1.00 0.00 H new ATOM 502 N VAL A 35 7.267 -7.356 -5.636 1.00 0.00 N ATOM 503 CA VAL A 35 6.631 -8.690 -5.469 1.00 0.00 C ATOM 504 C VAL A 35 5.188 -8.484 -5.011 1.00 0.00 C ATOM 505 O VAL A 35 4.302 -9.249 -5.338 1.00 0.00 O ATOM 506 CB VAL A 35 7.391 -9.495 -4.418 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.997 -9.000 -3.032 1.00 0.00 C ATOM 508 CG2 VAL A 35 7.034 -10.977 -4.552 1.00 0.00 C ATOM 0 H VAL A 35 8.163 -7.234 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 35 6.651 -9.234 -6.413 1.00 0.00 H new ATOM 0 HB VAL A 35 8.464 -9.369 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.536 -9.570 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.249 -7.944 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.924 -9.132 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.577 -11.551 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.962 -11.108 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.308 -11.329 -5.546 1.00 0.00 H new ATOM 518 N ILE A 36 4.950 -7.447 -4.259 1.00 0.00 N ATOM 519 CA ILE A 36 3.570 -7.165 -3.774 1.00 0.00 C ATOM 520 C ILE A 36 2.694 -6.700 -4.938 1.00 0.00 C ATOM 521 O ILE A 36 1.488 -6.785 -4.890 1.00 0.00 O ATOM 522 CB ILE A 36 3.622 -6.038 -2.745 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.350 -6.065 -1.894 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.706 -4.702 -3.484 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.430 -4.996 -0.801 1.00 0.00 C ATOM 0 H ILE A 36 5.657 -6.777 -3.957 1.00 0.00 H new ATOM 0 HA ILE A 36 3.157 -8.073 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 36 4.491 -6.165 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.478 -5.889 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.225 -7.049 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.744 -3.888 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.605 -4.683 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.829 -4.582 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.521 -5.022 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.292 -5.191 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.534 -4.013 -1.260 1.00 0.00 H new ATOM 537 N ASP A 37 3.298 -6.166 -5.961 1.00 0.00 N ATOM 538 CA ASP A 37 2.515 -5.638 -7.118 1.00 0.00 C ATOM 539 C ASP A 37 1.614 -6.710 -7.740 1.00 0.00 C ATOM 540 O ASP A 37 0.552 -6.400 -8.243 1.00 0.00 O ATOM 541 CB ASP A 37 3.477 -5.116 -8.187 1.00 0.00 C ATOM 542 CG ASP A 37 4.243 -3.911 -7.640 1.00 0.00 C ATOM 543 OD1 ASP A 37 3.834 -3.389 -6.616 1.00 0.00 O ATOM 544 OD2 ASP A 37 5.226 -3.530 -8.253 1.00 0.00 O ATOM 0 H ASP A 37 4.310 -6.071 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 37 1.878 -4.835 -6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.174 -5.902 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.923 -4.833 -9.082 1.00 0.00 H new ATOM 549 N SER A 38 2.027 -7.951 -7.753 1.00 0.00 N ATOM 550 CA SER A 38 1.178 -9.004 -8.392 1.00 0.00 C ATOM 551 C SER A 38 0.668 -10.016 -7.363 1.00 0.00 C ATOM 552 O SER A 38 -0.520 -10.137 -7.138 1.00 0.00 O ATOM 553 CB SER A 38 2.001 -9.735 -9.451 1.00 0.00 C ATOM 554 OG SER A 38 2.392 -8.804 -10.468 1.00 0.00 O ATOM 0 H SER A 38 2.906 -8.280 -7.354 1.00 0.00 H new ATOM 0 HA SER A 38 0.315 -8.517 -8.846 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.883 -10.187 -8.996 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.417 -10.545 -9.888 1.00 0.00 H new ATOM 559 N LEU A 39 1.545 -10.765 -6.759 1.00 0.00 N ATOM 560 CA LEU A 39 1.091 -11.787 -5.776 1.00 0.00 C ATOM 561 C LEU A 39 0.437 -11.108 -4.577 1.00 0.00 C ATOM 562 O LEU A 39 -0.667 -11.436 -4.190 1.00 0.00 O ATOM 563 CB LEU A 39 2.293 -12.610 -5.308 1.00 0.00 C ATOM 564 CG LEU A 39 1.820 -13.772 -4.430 1.00 0.00 C ATOM 565 CD1 LEU A 39 2.660 -15.013 -4.735 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.988 -13.402 -2.954 1.00 0.00 C ATOM 0 H LEU A 39 2.554 -10.715 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 39 0.361 -12.442 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.840 -12.993 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.982 -11.977 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 39 0.770 -13.977 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.325 -15.842 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.546 -15.281 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.709 -14.803 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.651 -14.230 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.038 -13.197 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.394 -12.515 -2.731 1.00 0.00 H new ATOM 578 N GLY A 40 1.107 -10.166 -3.988 1.00 0.00 N ATOM 579 CA GLY A 40 0.526 -9.465 -2.813 1.00 0.00 C ATOM 580 C GLY A 40 -0.630 -8.573 -3.260 1.00 0.00 C ATOM 581 O GLY A 40 -1.638 -8.463 -2.590 1.00 0.00 O ATOM 0 H GLY A 40 2.035 -9.848 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.174 -10.193 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.291 -8.864 -2.322 1.00 0.00 H new ATOM 585 N LEU A 41 -0.490 -7.926 -4.384 1.00 0.00 N ATOM 586 CA LEU A 41 -1.579 -7.031 -4.865 1.00 0.00 C ATOM 587 C LEU A 41 -2.861 -7.839 -5.039 1.00 0.00 C ATOM 588 O LEU A 41 -3.941 -7.390 -4.712 1.00 0.00 O ATOM 589 CB LEU A 41 -1.181 -6.425 -6.214 1.00 0.00 C ATOM 590 CG LEU A 41 -2.210 -5.377 -6.639 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.845 -4.023 -6.028 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.216 -5.262 -8.165 1.00 0.00 C ATOM 0 H LEU A 41 0.330 -7.978 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.742 -6.236 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.194 -5.969 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.114 -7.209 -6.969 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.199 -5.676 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.579 -3.277 -6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.839 -4.104 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.857 -3.722 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.949 -4.515 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.227 -4.962 -8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.477 -6.226 -8.602 1.00 0.00 H new ATOM 604 N LEU A 42 -2.753 -9.028 -5.559 1.00 0.00 N ATOM 605 CA LEU A 42 -3.973 -9.858 -5.758 1.00 0.00 C ATOM 606 C LEU A 42 -4.614 -10.148 -4.400 1.00 0.00 C ATOM 607 O LEU A 42 -5.814 -10.051 -4.236 1.00 0.00 O ATOM 608 CB LEU A 42 -3.587 -11.176 -6.436 1.00 0.00 C ATOM 609 CG LEU A 42 -4.847 -11.961 -6.799 1.00 0.00 C ATOM 610 CD1 LEU A 42 -5.394 -11.450 -8.129 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.503 -13.446 -6.927 1.00 0.00 C ATOM 0 H LEU A 42 -1.877 -9.460 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.683 -9.322 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.001 -10.976 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.958 -11.767 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.597 -11.828 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.293 -12.008 -8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.637 -10.391 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.643 -11.585 -8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.401 -14.007 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.754 -13.580 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.108 -13.811 -5.979 1.00 0.00 H new ATOM 623 N LYS A 43 -3.823 -10.498 -3.424 1.00 0.00 N ATOM 624 CA LYS A 43 -4.385 -10.788 -2.078 1.00 0.00 C ATOM 625 C LYS A 43 -4.935 -9.502 -1.456 1.00 0.00 C ATOM 626 O LYS A 43 -5.984 -9.495 -0.843 1.00 0.00 O ATOM 627 CB LYS A 43 -3.282 -11.355 -1.188 1.00 0.00 C ATOM 628 CG LYS A 43 -2.819 -12.703 -1.742 1.00 0.00 C ATOM 629 CD LYS A 43 -1.799 -13.325 -0.786 1.00 0.00 C ATOM 630 CE LYS A 43 -1.246 -14.614 -1.397 1.00 0.00 C ATOM 631 NZ LYS A 43 -2.255 -15.702 -1.258 1.00 0.00 N ATOM 0 H LYS A 43 -2.811 -10.595 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.194 -11.513 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.443 -10.661 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.649 -11.476 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.672 -13.370 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.375 -12.569 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.987 -12.623 -0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.268 -13.537 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.007 -14.457 -2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.319 -14.897 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.854 -16.594 -1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.512 -15.811 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.103 -15.461 -1.809 1.00 0.00 H new ATOM 645 N VAL A 44 -4.226 -8.415 -1.601 1.00 0.00 N ATOM 646 CA VAL A 44 -4.695 -7.129 -1.011 1.00 0.00 C ATOM 647 C VAL A 44 -5.956 -6.646 -1.727 1.00 0.00 C ATOM 648 O VAL A 44 -6.883 -6.166 -1.111 1.00 0.00 O ATOM 649 CB VAL A 44 -3.596 -6.077 -1.153 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.118 -4.725 -0.666 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.389 -6.492 -0.310 1.00 0.00 C ATOM 0 H VAL A 44 -3.340 -8.363 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.925 -7.285 0.043 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.301 -5.995 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.334 -3.974 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.981 -4.431 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.412 -4.804 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.602 -5.744 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.686 -6.571 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.018 -7.457 -0.656 1.00 0.00 H new ATOM 661 N ILE A 45 -5.999 -6.758 -3.022 1.00 0.00 N ATOM 662 CA ILE A 45 -7.200 -6.296 -3.765 1.00 0.00 C ATOM 663 C ILE A 45 -8.425 -7.088 -3.305 1.00 0.00 C ATOM 664 O ILE A 45 -9.476 -6.535 -3.065 1.00 0.00 O ATOM 665 CB ILE A 45 -6.971 -6.499 -5.266 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.518 -5.179 -5.900 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.266 -6.961 -5.939 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.402 -4.548 -5.064 1.00 0.00 C ATOM 0 H ILE A 45 -5.254 -7.150 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.373 -5.238 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.202 -7.259 -5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.165 -5.357 -6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.362 -4.493 -5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.091 -7.102 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.590 -7.903 -5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.040 -6.207 -5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.088 -3.611 -5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.768 -4.353 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.553 -5.230 -5.016 1.00 0.00 H new ATOM 680 N ALA A 46 -8.307 -8.378 -3.188 1.00 0.00 N ATOM 681 CA ALA A 46 -9.480 -9.186 -2.754 1.00 0.00 C ATOM 682 C ALA A 46 -9.892 -8.796 -1.331 1.00 0.00 C ATOM 683 O ALA A 46 -11.058 -8.617 -1.039 1.00 0.00 O ATOM 684 CB ALA A 46 -9.101 -10.667 -2.780 1.00 0.00 C ATOM 0 H ALA A 46 -7.455 -8.907 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.315 -8.999 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.954 -11.267 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.813 -10.951 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.265 -10.840 -2.103 1.00 0.00 H new ATOM 690 N TRP A 47 -8.946 -8.668 -0.442 1.00 0.00 N ATOM 691 CA TRP A 47 -9.282 -8.296 0.961 1.00 0.00 C ATOM 692 C TRP A 47 -9.546 -6.792 1.073 1.00 0.00 C ATOM 693 O TRP A 47 -10.524 -6.362 1.652 1.00 0.00 O ATOM 694 CB TRP A 47 -8.121 -8.686 1.871 1.00 0.00 C ATOM 695 CG TRP A 47 -8.059 -7.755 3.035 1.00 0.00 C ATOM 696 CD1 TRP A 47 -9.100 -7.423 3.833 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.908 -7.033 3.542 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.653 -6.539 4.800 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.306 -6.270 4.661 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.568 -6.973 3.137 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.399 -5.470 5.358 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -4.650 -6.171 3.832 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.065 -5.420 4.942 1.00 0.00 C ATOM 0 H TRP A 47 -7.952 -8.805 -0.627 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.186 -8.826 1.263 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.248 -9.711 2.219 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.184 -8.652 1.316 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.112 -7.787 3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.246 -6.136 5.526 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.239 -7.548 2.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.725 -4.894 6.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.620 -6.132 3.511 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.355 -4.804 5.474 1.00 0.00 H new ATOM 714 N LEU A 48 -8.665 -5.991 0.544 1.00 0.00 N ATOM 715 CA LEU A 48 -8.835 -4.513 0.636 1.00 0.00 C ATOM 716 C LEU A 48 -10.159 -4.081 0.001 1.00 0.00 C ATOM 717 O LEU A 48 -10.879 -3.269 0.547 1.00 0.00 O ATOM 718 CB LEU A 48 -7.681 -3.838 -0.105 1.00 0.00 C ATOM 719 CG LEU A 48 -7.693 -2.342 0.176 1.00 0.00 C ATOM 720 CD1 LEU A 48 -6.937 -2.076 1.472 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.010 -1.604 -0.977 1.00 0.00 C ATOM 0 H LEU A 48 -7.828 -6.298 0.048 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.839 -4.221 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.731 -4.269 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.771 -4.017 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.720 -1.990 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.940 -1.006 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.421 -2.608 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.909 -2.423 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.017 -0.532 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.980 -1.949 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.545 -1.804 -1.905 1.00 0.00 H new ATOM 733 N GLU A 49 -10.490 -4.609 -1.145 1.00 0.00 N ATOM 734 CA GLU A 49 -11.766 -4.213 -1.796 1.00 0.00 C ATOM 735 C GLU A 49 -12.937 -4.653 -0.918 1.00 0.00 C ATOM 736 O GLU A 49 -13.913 -3.947 -0.763 1.00 0.00 O ATOM 737 CB GLU A 49 -11.860 -4.889 -3.162 1.00 0.00 C ATOM 738 CG GLU A 49 -10.821 -4.283 -4.106 1.00 0.00 C ATOM 739 CD GLU A 49 -11.124 -2.801 -4.336 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.231 -2.502 -4.751 1.00 0.00 O ATOM 741 OE2 GLU A 49 -10.241 -1.993 -4.104 1.00 0.00 O ATOM 0 H GLU A 49 -9.933 -5.295 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.799 -3.131 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.693 -5.961 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.861 -4.760 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.823 -4.397 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.827 -4.816 -5.057 1.00 0.00 H new ATOM 748 N ASP A 50 -12.840 -5.816 -0.335 1.00 0.00 N ATOM 749 CA ASP A 50 -13.936 -6.309 0.543 1.00 0.00 C ATOM 750 C ASP A 50 -14.024 -5.442 1.801 1.00 0.00 C ATOM 751 O ASP A 50 -15.095 -5.134 2.285 1.00 0.00 O ATOM 752 CB ASP A 50 -13.643 -7.751 0.946 1.00 0.00 C ATOM 753 CG ASP A 50 -14.861 -8.344 1.656 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.878 -7.671 1.706 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.757 -9.460 2.137 1.00 0.00 O ATOM 0 H ASP A 50 -12.045 -6.448 -0.430 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.882 -6.258 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.400 -8.343 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.774 -7.786 1.603 1.00 0.00 H new ATOM 760 N ARG A 51 -12.899 -5.065 2.342 1.00 0.00 N ATOM 761 CA ARG A 51 -12.898 -4.237 3.582 1.00 0.00 C ATOM 762 C ARG A 51 -13.649 -2.922 3.355 1.00 0.00 C ATOM 763 O ARG A 51 -14.379 -2.464 4.213 1.00 0.00 O ATOM 764 CB ARG A 51 -11.454 -3.931 3.982 1.00 0.00 C ATOM 765 CG ARG A 51 -11.440 -3.183 5.317 1.00 0.00 C ATOM 766 CD ARG A 51 -9.999 -2.828 5.688 1.00 0.00 C ATOM 767 NE ARG A 51 -9.973 -2.211 7.044 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.835 -1.873 7.585 1.00 0.00 C ATOM 769 NH1 ARG A 51 -7.719 -2.076 6.938 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.812 -1.332 8.772 1.00 0.00 N ATOM 0 H ARG A 51 -11.975 -5.296 1.977 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.398 -4.793 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.885 -4.857 4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.972 -3.330 3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.042 -2.277 5.245 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.886 -3.801 6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.377 -3.723 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.583 -2.137 4.954 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.845 -2.053 7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.737 -2.499 6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.829 -1.812 7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.684 -1.173 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.922 -1.068 9.195 1.00 0.00 H new ATOM 784 N PHE A 52 -13.470 -2.300 2.220 1.00 0.00 N ATOM 785 CA PHE A 52 -14.165 -1.009 1.965 1.00 0.00 C ATOM 786 C PHE A 52 -15.355 -1.221 1.027 1.00 0.00 C ATOM 787 O PHE A 52 -16.079 -0.296 0.716 1.00 0.00 O ATOM 788 CB PHE A 52 -13.175 -0.034 1.330 1.00 0.00 C ATOM 789 CG PHE A 52 -12.137 0.359 2.353 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.396 1.409 3.243 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.918 -0.326 2.415 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.436 1.774 4.193 1.00 0.00 C ATOM 793 CE2 PHE A 52 -9.958 0.039 3.366 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.217 1.089 4.255 1.00 0.00 C ATOM 0 H PHE A 52 -12.874 -2.631 1.461 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.536 -0.605 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.695 -0.495 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.699 0.851 0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.337 1.937 3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.718 -1.136 1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.636 2.584 4.879 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.017 -0.489 3.414 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.476 1.370 4.989 1.00 0.00 H new ATOM 804 N GLY A 53 -15.568 -2.424 0.572 1.00 0.00 N ATOM 805 CA GLY A 53 -16.717 -2.670 -0.344 1.00 0.00 C ATOM 806 C GLY A 53 -16.474 -1.929 -1.658 1.00 0.00 C ATOM 807 O GLY A 53 -17.386 -1.403 -2.266 1.00 0.00 O ATOM 0 H GLY A 53 -15.001 -3.243 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.828 -3.738 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.644 -2.328 0.115 1.00 0.00 H new ATOM 811 N ILE A 54 -15.247 -1.874 -2.095 1.00 0.00 N ATOM 812 CA ILE A 54 -14.935 -1.157 -3.364 1.00 0.00 C ATOM 813 C ILE A 54 -14.825 -2.166 -4.508 1.00 0.00 C ATOM 814 O ILE A 54 -14.362 -3.271 -4.330 1.00 0.00 O ATOM 815 CB ILE A 54 -13.605 -0.420 -3.206 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.698 0.553 -2.030 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.296 0.359 -4.486 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.295 1.041 -1.662 1.00 0.00 C ATOM 0 H ILE A 54 -14.444 -2.295 -1.627 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.728 -0.444 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.811 -1.143 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.332 1.400 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.161 0.063 -1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.348 0.884 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.229 -0.333 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.091 1.081 -4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.359 1.735 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.675 0.189 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.850 1.547 -2.518 1.00 0.00 H new ATOM 830 N ALA A 55 -15.252 -1.797 -5.683 1.00 0.00 N ATOM 831 CA ALA A 55 -15.169 -2.741 -6.834 1.00 0.00 C ATOM 832 C ALA A 55 -13.703 -2.923 -7.234 1.00 0.00 C ATOM 833 O ALA A 55 -12.945 -1.975 -7.299 1.00 0.00 O ATOM 834 CB ALA A 55 -15.954 -2.173 -8.017 1.00 0.00 C ATOM 0 H ALA A 55 -15.654 -0.884 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.592 -3.704 -6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.894 -2.863 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.997 -2.040 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.531 -1.211 -8.306 1.00 0.00 H new ATOM 840 N ALA A 56 -13.296 -4.133 -7.503 1.00 0.00 N ATOM 841 CA ALA A 56 -11.879 -4.373 -7.897 1.00 0.00 C ATOM 842 C ALA A 56 -11.599 -3.706 -9.245 1.00 0.00 C ATOM 843 O ALA A 56 -10.505 -3.246 -9.505 1.00 0.00 O ATOM 844 CB ALA A 56 -11.630 -5.879 -8.012 1.00 0.00 C ATOM 0 H ALA A 56 -13.884 -4.966 -7.467 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.218 -3.950 -7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.594 -6.055 -8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.825 -6.355 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.293 -6.301 -8.767 1.00 0.00 H new ATOM 850 N ASP A 57 -12.576 -3.655 -10.107 1.00 0.00 N ATOM 851 CA ASP A 57 -12.363 -3.023 -11.440 1.00 0.00 C ATOM 852 C ASP A 57 -12.749 -1.543 -11.383 1.00 0.00 C ATOM 853 O ASP A 57 -12.746 -0.854 -12.383 1.00 0.00 O ATOM 854 CB ASP A 57 -13.224 -3.733 -12.483 1.00 0.00 C ATOM 855 CG ASP A 57 -12.726 -5.167 -12.668 1.00 0.00 C ATOM 856 OD1 ASP A 57 -11.642 -5.462 -12.193 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.437 -5.946 -13.281 1.00 0.00 O ATOM 0 H ASP A 57 -13.513 -4.024 -9.946 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.311 -3.109 -11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.267 -3.737 -12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.181 -3.197 -13.431 1.00 0.00 H new ATOM 862 N ASP A 58 -13.084 -1.048 -10.223 1.00 0.00 N ATOM 863 CA ASP A 58 -13.470 0.386 -10.114 1.00 0.00 C ATOM 864 C ASP A 58 -12.348 1.264 -10.671 1.00 0.00 C ATOM 865 O ASP A 58 -12.591 2.260 -11.322 1.00 0.00 O ATOM 866 CB ASP A 58 -13.712 0.739 -8.647 1.00 0.00 C ATOM 867 CG ASP A 58 -14.334 2.133 -8.551 1.00 0.00 C ATOM 868 OD1 ASP A 58 -14.635 2.698 -9.590 1.00 0.00 O ATOM 869 OD2 ASP A 58 -14.499 2.612 -7.441 1.00 0.00 O ATOM 0 H ASP A 58 -13.107 -1.573 -9.349 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.382 0.559 -10.685 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.373 0.003 -8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.772 0.710 -8.096 1.00 0.00 H new ATOM 874 N VAL A 59 -11.121 0.899 -10.420 1.00 0.00 N ATOM 875 CA VAL A 59 -9.977 1.707 -10.933 1.00 0.00 C ATOM 876 C VAL A 59 -8.954 0.780 -11.594 1.00 0.00 C ATOM 877 O VAL A 59 -8.916 -0.405 -11.331 1.00 0.00 O ATOM 878 CB VAL A 59 -9.315 2.449 -9.771 1.00 0.00 C ATOM 879 CG1 VAL A 59 -10.353 3.326 -9.068 1.00 0.00 C ATOM 880 CG2 VAL A 59 -8.748 1.434 -8.776 1.00 0.00 C ATOM 0 H VAL A 59 -10.860 0.074 -9.880 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.341 2.428 -11.665 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.508 3.075 -10.152 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.881 3.855 -8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.758 4.049 -9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.160 2.700 -8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.276 1.962 -7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.555 0.808 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.009 0.808 -9.276 1.00 0.00 H new ATOM 890 N GLU A 60 -8.120 1.311 -12.448 1.00 0.00 N ATOM 891 CA GLU A 60 -7.100 0.456 -13.118 1.00 0.00 C ATOM 892 C GLU A 60 -5.768 0.581 -12.377 1.00 0.00 C ATOM 893 O GLU A 60 -5.368 1.656 -11.977 1.00 0.00 O ATOM 894 CB GLU A 60 -6.920 0.908 -14.567 1.00 0.00 C ATOM 895 CG GLU A 60 -5.956 -0.037 -15.274 1.00 0.00 C ATOM 896 CD GLU A 60 -5.717 0.448 -16.705 1.00 0.00 C ATOM 897 OE1 GLU A 60 -6.265 1.479 -17.060 1.00 0.00 O ATOM 898 OE2 GLU A 60 -4.989 -0.219 -17.422 1.00 0.00 O ATOM 0 H GLU A 60 -8.102 2.297 -12.709 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.432 -0.582 -13.103 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.882 0.915 -15.080 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.535 1.927 -14.597 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.011 -0.081 -14.732 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.365 -1.047 -15.285 1.00 0.00 H new ATOM 905 N LEU A 61 -5.083 -0.513 -12.183 1.00 0.00 N ATOM 906 CA LEU A 61 -3.783 -0.462 -11.461 1.00 0.00 C ATOM 907 C LEU A 61 -2.630 -0.611 -12.457 1.00 0.00 C ATOM 908 O LEU A 61 -2.670 -1.436 -13.349 1.00 0.00 O ATOM 909 CB LEU A 61 -3.732 -1.604 -10.444 1.00 0.00 C ATOM 910 CG LEU A 61 -5.002 -1.581 -9.596 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.886 -2.603 -8.465 1.00 0.00 C ATOM 912 CD2 LEU A 61 -5.197 -0.183 -9.006 1.00 0.00 C ATOM 0 H LEU A 61 -5.369 -1.441 -12.495 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.688 0.495 -10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.642 -2.561 -10.958 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.854 -1.500 -9.807 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.858 -1.834 -10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.794 -2.583 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.752 -3.599 -8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.029 -2.356 -7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.103 -0.167 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.340 0.072 -8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.287 0.543 -9.814 1.00 0.00 H new ATOM 924 N SER A 62 -1.601 0.180 -12.308 1.00 0.00 N ATOM 925 CA SER A 62 -0.442 0.092 -13.235 1.00 0.00 C ATOM 926 C SER A 62 0.851 0.021 -12.419 1.00 0.00 C ATOM 927 O SER A 62 0.892 0.424 -11.274 1.00 0.00 O ATOM 928 CB SER A 62 -0.417 1.334 -14.122 1.00 0.00 C ATOM 929 OG SER A 62 -1.155 2.374 -13.492 1.00 0.00 O ATOM 0 H SER A 62 -1.516 0.887 -11.578 1.00 0.00 H new ATOM 0 HA SER A 62 -0.530 -0.800 -13.856 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.611 1.653 -14.292 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.846 1.107 -15.098 1.00 0.00 H new ATOM 0 HG SER A 62 -1.140 3.174 -14.057 1.00 0.00 H new ATOM 935 N PRO A 63 1.902 -0.487 -13.007 1.00 0.00 N ATOM 936 CA PRO A 63 3.223 -0.611 -12.326 1.00 0.00 C ATOM 937 C PRO A 63 3.778 0.751 -11.905 1.00 0.00 C ATOM 938 O PRO A 63 4.429 0.883 -10.888 1.00 0.00 O ATOM 939 CB PRO A 63 4.133 -1.261 -13.376 1.00 0.00 C ATOM 940 CG PRO A 63 3.437 -1.090 -14.687 1.00 0.00 C ATOM 941 CD PRO A 63 1.945 -0.992 -14.384 1.00 0.00 C ATOM 0 HA PRO A 63 3.149 -1.194 -11.408 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.114 -0.786 -13.390 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.293 -2.316 -13.154 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.788 -0.193 -15.197 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.643 -1.933 -15.347 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.440 -0.316 -15.074 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.454 -1.961 -14.470 1.00 0.00 H new ATOM 949 N GLU A 64 3.514 1.766 -12.679 1.00 0.00 N ATOM 950 CA GLU A 64 4.012 3.124 -12.328 1.00 0.00 C ATOM 951 C GLU A 64 3.334 3.589 -11.039 1.00 0.00 C ATOM 952 O GLU A 64 3.873 4.373 -10.283 1.00 0.00 O ATOM 953 CB GLU A 64 3.680 4.096 -13.458 1.00 0.00 C ATOM 954 CG GLU A 64 4.438 3.695 -14.719 1.00 0.00 C ATOM 955 CD GLU A 64 4.160 4.709 -15.829 1.00 0.00 C ATOM 956 OE1 GLU A 64 3.294 5.546 -15.637 1.00 0.00 O ATOM 957 OE2 GLU A 64 4.818 4.631 -16.854 1.00 0.00 O ATOM 0 H GLU A 64 2.973 1.713 -13.542 1.00 0.00 H new ATOM 0 HA GLU A 64 5.092 3.093 -12.184 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.607 4.093 -13.650 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.949 5.112 -13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.508 3.650 -14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.132 2.699 -15.038 1.00 0.00 H new ATOM 964 N HIS A 65 2.145 3.113 -10.795 1.00 0.00 N ATOM 965 CA HIS A 65 1.399 3.518 -9.571 1.00 0.00 C ATOM 966 C HIS A 65 2.081 2.956 -8.318 1.00 0.00 C ATOM 967 O HIS A 65 1.942 3.489 -7.235 1.00 0.00 O ATOM 968 CB HIS A 65 -0.027 2.968 -9.660 1.00 0.00 C ATOM 969 CG HIS A 65 -0.851 3.492 -8.517 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.844 2.895 -7.264 1.00 0.00 N ATOM 971 CD2 HIS A 65 -1.724 4.547 -8.426 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.690 3.589 -6.480 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.250 4.604 -7.141 1.00 0.00 N ATOM 0 H HIS A 65 1.653 2.454 -11.398 1.00 0.00 H new ATOM 0 HA HIS A 65 1.384 4.606 -9.503 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.479 3.258 -10.608 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.008 1.878 -9.636 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.298 2.079 -6.988 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.965 5.228 -9.229 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.891 3.354 -5.445 1.00 0.00 H new ATOM 982 N PHE A 66 2.794 1.871 -8.448 1.00 0.00 N ATOM 983 CA PHE A 66 3.453 1.264 -7.254 1.00 0.00 C ATOM 984 C PHE A 66 4.924 1.688 -7.166 1.00 0.00 C ATOM 985 O PHE A 66 5.669 1.177 -6.356 1.00 0.00 O ATOM 986 CB PHE A 66 3.374 -0.259 -7.367 1.00 0.00 C ATOM 987 CG PHE A 66 1.926 -0.675 -7.452 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.173 -0.841 -6.283 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.335 -0.889 -8.702 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.172 -1.221 -6.367 1.00 0.00 C ATOM 991 CE2 PHE A 66 -0.009 -1.268 -8.786 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.762 -1.434 -7.619 1.00 0.00 C ATOM 0 H PHE A 66 2.949 1.378 -9.327 1.00 0.00 H new ATOM 0 HA PHE A 66 2.940 1.608 -6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.915 -0.599 -8.250 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.849 -0.725 -6.504 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.629 -0.676 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.917 -0.761 -9.603 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.754 -1.350 -5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.465 -1.432 -9.751 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.800 -1.727 -7.684 1.00 0.00 H new ATOM 1002 N ARG A 67 5.358 2.602 -7.988 1.00 0.00 N ATOM 1003 CA ARG A 67 6.790 3.024 -7.928 1.00 0.00 C ATOM 1004 C ARG A 67 7.132 3.590 -6.547 1.00 0.00 C ATOM 1005 O ARG A 67 8.196 3.341 -6.018 1.00 0.00 O ATOM 1006 CB ARG A 67 7.058 4.089 -8.992 1.00 0.00 C ATOM 1007 CG ARG A 67 7.062 3.440 -10.373 1.00 0.00 C ATOM 1008 CD ARG A 67 8.466 2.917 -10.688 1.00 0.00 C ATOM 1009 NE ARG A 67 9.383 4.068 -10.920 1.00 0.00 N ATOM 1010 CZ ARG A 67 9.433 4.636 -12.094 1.00 0.00 C ATOM 1011 NH1 ARG A 67 8.678 4.198 -13.064 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.238 5.643 -12.297 1.00 0.00 N ATOM 0 H ARG A 67 4.791 3.073 -8.693 1.00 0.00 H new ATOM 0 HA ARG A 67 7.414 2.150 -8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.294 4.865 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.016 4.573 -8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.342 2.622 -10.404 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.754 4.164 -11.128 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.832 2.307 -9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.438 2.277 -11.570 1.00 0.00 H new ATOM 0 HE ARG A 67 9.972 4.412 -10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.048 3.411 -12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.717 4.642 -13.981 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.828 5.986 -11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.278 6.087 -13.214 1.00 0.00 H new ATOM 1026 N SER A 68 6.254 4.352 -5.958 1.00 0.00 N ATOM 1027 CA SER A 68 6.564 4.926 -4.615 1.00 0.00 C ATOM 1028 C SER A 68 5.313 4.926 -3.734 1.00 0.00 C ATOM 1029 O SER A 68 4.200 5.001 -4.214 1.00 0.00 O ATOM 1030 CB SER A 68 7.066 6.360 -4.781 1.00 0.00 C ATOM 1031 OG SER A 68 6.002 7.178 -5.249 1.00 0.00 O ATOM 0 H SER A 68 5.343 4.602 -6.342 1.00 0.00 H new ATOM 0 HA SER A 68 7.332 4.316 -4.139 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.440 6.739 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.898 6.387 -5.485 1.00 0.00 H new ATOM 0 HG SER A 68 6.320 8.099 -5.355 1.00 0.00 H new ATOM 1037 N ILE A 69 5.495 4.848 -2.442 1.00 0.00 N ATOM 1038 CA ILE A 69 4.336 4.849 -1.516 1.00 0.00 C ATOM 1039 C ILE A 69 3.626 6.205 -1.572 1.00 0.00 C ATOM 1040 O ILE A 69 2.418 6.289 -1.475 1.00 0.00 O ATOM 1041 CB ILE A 69 4.840 4.599 -0.097 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.544 3.249 -0.034 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.666 4.587 0.863 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.221 3.087 1.329 1.00 0.00 C ATOM 0 H ILE A 69 6.407 4.783 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 69 3.634 4.068 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 69 5.536 5.391 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.825 2.445 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.285 3.176 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.026 4.408 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.154 5.549 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.972 3.795 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.724 2.121 1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.952 3.883 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.470 3.141 2.117 1.00 0.00 H new ATOM 1056 N ARG A 70 4.370 7.269 -1.712 1.00 0.00 N ATOM 1057 CA ARG A 70 3.739 8.620 -1.755 1.00 0.00 C ATOM 1058 C ARG A 70 2.784 8.715 -2.946 1.00 0.00 C ATOM 1059 O ARG A 70 1.716 9.287 -2.848 1.00 0.00 O ATOM 1060 CB ARG A 70 4.830 9.684 -1.894 1.00 0.00 C ATOM 1061 CG ARG A 70 5.717 9.673 -0.648 1.00 0.00 C ATOM 1062 CD ARG A 70 6.729 10.817 -0.731 1.00 0.00 C ATOM 1063 NE ARG A 70 7.519 10.691 -1.987 1.00 0.00 N ATOM 1064 CZ ARG A 70 8.203 11.709 -2.434 1.00 0.00 C ATOM 1065 NH1 ARG A 70 8.196 12.837 -1.779 1.00 0.00 N ATOM 1066 NH2 ARG A 70 8.894 11.598 -3.535 1.00 0.00 N ATOM 0 H ARG A 70 5.386 7.261 -1.798 1.00 0.00 H new ATOM 0 HA ARG A 70 3.179 8.782 -0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.431 9.490 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.379 10.668 -2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.105 9.779 0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.237 8.719 -0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.212 11.776 -0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.393 10.793 0.133 1.00 0.00 H new ATOM 0 HE ARG A 70 7.526 9.809 -2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.656 12.923 -0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.730 13.633 -2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.900 10.716 -4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.428 12.394 -3.884 1.00 0.00 H new ATOM 1080 N SER A 71 3.151 8.161 -4.068 1.00 0.00 N ATOM 1081 CA SER A 71 2.249 8.230 -5.252 1.00 0.00 C ATOM 1082 C SER A 71 0.928 7.535 -4.920 1.00 0.00 C ATOM 1083 O SER A 71 -0.139 8.035 -5.211 1.00 0.00 O ATOM 1084 CB SER A 71 2.911 7.529 -6.439 1.00 0.00 C ATOM 1085 OG SER A 71 2.139 7.760 -7.610 1.00 0.00 O ATOM 0 H SER A 71 4.031 7.666 -4.216 1.00 0.00 H new ATOM 0 HA SER A 71 2.060 9.272 -5.508 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.925 7.904 -6.578 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.990 6.459 -6.247 1.00 0.00 H new ATOM 0 HG SER A 71 2.561 7.313 -8.373 1.00 0.00 H new ATOM 1091 N ILE A 72 0.997 6.386 -4.305 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.240 5.650 -3.942 1.00 0.00 C ATOM 1093 C ILE A 72 -1.058 6.483 -2.955 1.00 0.00 C ATOM 1094 O ILE A 72 -2.271 6.518 -3.010 1.00 0.00 O ATOM 1095 CB ILE A 72 0.151 4.326 -3.288 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.014 3.512 -4.254 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.110 3.540 -2.949 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.516 2.250 -3.551 1.00 0.00 C ATOM 0 H ILE A 72 1.866 5.924 -4.038 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.837 5.463 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 72 0.716 4.523 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.435 3.243 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.858 4.110 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.835 2.594 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.726 4.119 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.673 3.344 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.131 1.670 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.110 2.530 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.665 1.649 -3.230 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.399 7.147 -2.047 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.125 7.972 -1.047 1.00 0.00 C ATOM 1112 C ASP A 73 -2.004 8.999 -1.761 1.00 0.00 C ATOM 1113 O ASP A 73 -3.107 9.285 -1.340 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.107 8.701 -0.171 1.00 0.00 C ATOM 1115 CG ASP A 73 0.683 7.683 0.652 1.00 0.00 C ATOM 1116 OD1 ASP A 73 0.293 6.528 0.659 1.00 0.00 O ATOM 1117 OD2 ASP A 73 1.664 8.076 1.262 1.00 0.00 O ATOM 0 H ASP A 73 0.617 7.152 -1.956 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.754 7.328 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.571 9.286 -0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.617 9.402 0.490 1.00 0.00 H new ATOM 1122 N ALA A 74 -1.522 9.567 -2.832 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.332 10.584 -3.558 1.00 0.00 C ATOM 1124 C ALA A 74 -3.576 9.933 -4.161 1.00 0.00 C ATOM 1125 O ALA A 74 -4.666 10.463 -4.073 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.491 11.207 -4.673 1.00 0.00 C ATOM 0 H ALA A 74 -0.605 9.371 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.641 11.358 -2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.085 11.951 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.611 11.685 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.177 10.430 -5.369 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.432 8.791 -4.772 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.619 8.125 -5.371 1.00 0.00 C ATOM 1134 C PHE A 75 -5.591 7.724 -4.262 1.00 0.00 C ATOM 1135 O PHE A 75 -6.780 7.962 -4.346 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.172 6.883 -6.142 1.00 0.00 C ATOM 1137 CG PHE A 75 -3.412 7.306 -7.377 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -4.103 7.820 -8.481 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -2.019 7.190 -7.416 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -3.399 8.217 -9.625 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -1.314 7.588 -8.558 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.004 8.101 -9.663 1.00 0.00 C ATOM 0 H PHE A 75 -2.549 8.293 -4.882 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.117 8.812 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.542 6.257 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.038 6.284 -6.422 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.179 7.910 -8.450 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.487 6.793 -6.564 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.932 8.612 -10.477 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.238 7.499 -8.587 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.460 8.407 -10.545 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.095 7.122 -3.216 1.00 0.00 N ATOM 1153 CA VAL A 76 -5.986 6.715 -2.104 1.00 0.00 C ATOM 1154 C VAL A 76 -6.567 7.962 -1.435 1.00 0.00 C ATOM 1155 O VAL A 76 -7.745 8.033 -1.152 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.177 5.912 -1.087 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.021 5.679 0.160 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.788 4.563 -1.697 1.00 0.00 C ATOM 0 H VAL A 76 -4.109 6.896 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.802 6.102 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.276 6.464 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.445 5.106 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.301 6.639 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.921 5.125 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.211 3.989 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.689 4.010 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.187 4.728 -2.591 1.00 0.00 H new ATOM 1168 N VAL A 77 -5.752 8.954 -1.191 1.00 0.00 N ATOM 1169 CA VAL A 77 -6.259 10.193 -0.550 1.00 0.00 C ATOM 1170 C VAL A 77 -7.306 10.841 -1.455 1.00 0.00 C ATOM 1171 O VAL A 77 -8.296 11.374 -0.995 1.00 0.00 O ATOM 1172 CB VAL A 77 -5.095 11.157 -0.342 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -5.637 12.524 0.057 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -4.184 10.627 0.768 1.00 0.00 C ATOM 0 H VAL A 77 -4.756 8.956 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.713 9.953 0.411 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.526 11.245 -1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.807 13.215 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.287 12.902 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.205 12.434 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.352 11.316 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.752 10.539 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.798 9.648 0.485 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.090 10.802 -2.739 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.066 11.418 -3.678 1.00 0.00 C ATOM 1186 C GLY A 78 -9.448 10.793 -3.480 1.00 0.00 C ATOM 1187 O GLY A 78 -10.458 11.447 -3.644 1.00 0.00 O ATOM 0 H GLY A 78 -6.278 10.369 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.117 12.494 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.736 11.272 -4.706 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.506 9.532 -3.135 1.00 0.00 N ATOM 1192 CA ALA A 79 -10.835 8.882 -2.941 1.00 0.00 C ATOM 1193 C ALA A 79 -11.132 8.718 -1.449 1.00 0.00 C ATOM 1194 O ALA A 79 -12.182 9.101 -0.971 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.827 7.505 -3.609 1.00 0.00 C ATOM 0 H ALA A 79 -8.698 8.930 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.605 9.509 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.797 7.027 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.629 7.619 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.050 6.887 -3.159 1.00 0.00 H new ATOM 1201 N THR A 80 -10.220 8.155 -0.708 1.00 0.00 N ATOM 1202 CA THR A 80 -10.457 7.972 0.753 1.00 0.00 C ATOM 1203 C THR A 80 -9.125 7.721 1.462 1.00 0.00 C ATOM 1204 O THR A 80 -8.211 7.155 0.899 1.00 0.00 O ATOM 1205 CB THR A 80 -11.392 6.779 0.971 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.850 6.780 2.316 1.00 0.00 O ATOM 1207 CG2 THR A 80 -10.644 5.476 0.684 1.00 0.00 C ATOM 0 H THR A 80 -9.321 7.814 -1.049 1.00 0.00 H new ATOM 0 HA THR A 80 -10.916 8.871 1.163 1.00 0.00 H new ATOM 0 HB THR A 80 -12.244 6.858 0.295 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.450 6.018 2.458 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.313 4.630 0.841 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.295 5.477 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.790 5.392 1.355 1.00 0.00 H new ATOM 1215 N THR A 81 -9.010 8.130 2.697 1.00 0.00 N ATOM 1216 CA THR A 81 -7.740 7.908 3.441 1.00 0.00 C ATOM 1217 C THR A 81 -8.050 7.296 4.812 1.00 0.00 C ATOM 1218 O THR A 81 -8.214 8.000 5.789 1.00 0.00 O ATOM 1219 CB THR A 81 -7.028 9.250 3.625 1.00 0.00 C ATOM 1220 OG1 THR A 81 -5.949 9.092 4.535 1.00 0.00 O ATOM 1221 CG2 THR A 81 -8.016 10.281 4.173 1.00 0.00 C ATOM 0 H THR A 81 -9.742 8.608 3.222 1.00 0.00 H new ATOM 0 HA THR A 81 -7.099 7.227 2.882 1.00 0.00 H new ATOM 0 HB THR A 81 -6.644 9.593 2.665 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.325 9.841 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.509 11.237 4.304 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.842 10.402 3.472 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.402 9.940 5.134 1.00 0.00 H new ATOM 1229 N PRO A 82 -8.130 5.991 4.882 1.00 0.00 N ATOM 1230 CA PRO A 82 -8.423 5.259 6.138 1.00 0.00 C ATOM 1231 C PRO A 82 -7.146 4.807 6.867 1.00 0.00 C ATOM 1232 O PRO A 82 -6.474 3.897 6.423 1.00 0.00 O ATOM 1233 CB PRO A 82 -9.183 4.041 5.624 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.593 3.751 4.276 1.00 0.00 C ATOM 1235 CD PRO A 82 -7.961 5.055 3.764 1.00 0.00 C ATOM 0 HA PRO A 82 -8.963 5.870 6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.066 3.191 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.251 4.245 5.551 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.844 2.962 4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.362 3.400 3.587 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.909 4.918 3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.459 5.414 2.863 1.00 0.00 H new ATOM 1243 N PRO A 83 -6.808 5.424 7.975 1.00 0.00 N ATOM 1244 CA PRO A 83 -5.592 5.050 8.747 1.00 0.00 C ATOM 1245 C PRO A 83 -5.814 3.796 9.599 1.00 0.00 C ATOM 1246 O PRO A 83 -6.787 3.691 10.319 1.00 0.00 O ATOM 1247 CB PRO A 83 -5.339 6.265 9.636 1.00 0.00 C ATOM 1248 CG PRO A 83 -6.673 6.914 9.821 1.00 0.00 C ATOM 1249 CD PRO A 83 -7.536 6.535 8.612 1.00 0.00 C ATOM 0 HA PRO A 83 -4.753 4.809 8.094 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -4.912 5.968 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.631 6.951 9.170 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.139 6.577 10.747 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.567 7.996 9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.537 6.230 8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.654 7.376 7.929 1.00 0.00 H new ATOM 1257 N VAL A 84 -4.917 2.849 9.524 1.00 0.00 N ATOM 1258 CA VAL A 84 -5.072 1.603 10.330 1.00 0.00 C ATOM 1259 C VAL A 84 -3.792 1.351 11.129 1.00 0.00 C ATOM 1260 O VAL A 84 -2.698 1.411 10.602 1.00 0.00 O ATOM 1261 CB VAL A 84 -5.331 0.421 9.395 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -5.641 -0.829 10.221 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -6.522 0.741 8.489 1.00 0.00 C ATOM 0 H VAL A 84 -4.083 2.885 8.939 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.912 1.715 11.016 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.446 0.241 8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.825 -1.670 9.553 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.793 -1.058 10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -6.526 -0.651 10.833 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.708 -0.101 7.822 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.406 0.922 9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.301 1.630 7.899 1.00 0.00 H new ATOM 1273 N GLU A 85 -3.917 1.068 12.397 1.00 0.00 N ATOM 1274 CA GLU A 85 -2.706 0.811 13.225 1.00 0.00 C ATOM 1275 C GLU A 85 -2.013 -0.467 12.745 1.00 0.00 C ATOM 1276 O GLU A 85 -0.803 -0.571 12.758 1.00 0.00 O ATOM 1277 CB GLU A 85 -3.116 0.650 14.690 1.00 0.00 C ATOM 1278 CG GLU A 85 -3.695 1.968 15.207 1.00 0.00 C ATOM 1279 CD GLU A 85 -4.043 1.828 16.690 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -3.985 0.716 17.189 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -4.360 2.834 17.301 1.00 0.00 O ATOM 0 H GLU A 85 -4.805 1.004 12.895 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.018 1.651 13.128 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.854 -0.146 14.786 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.254 0.359 15.290 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.974 2.774 15.067 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.585 2.234 14.638 1.00 0.00 H new ATOM 1288 N ALA A 86 -2.772 -1.444 12.325 1.00 0.00 N ATOM 1289 CA ALA A 86 -2.154 -2.715 11.850 1.00 0.00 C ATOM 1290 C ALA A 86 -3.091 -3.403 10.854 1.00 0.00 C ATOM 1291 O ALA A 86 -4.273 -3.124 10.806 1.00 0.00 O ATOM 1292 CB ALA A 86 -1.911 -3.640 13.044 1.00 0.00 C ATOM 0 H ALA A 86 -3.791 -1.417 12.291 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.206 -2.495 11.360 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.459 -4.570 12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.241 -3.152 13.752 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.860 -3.858 13.534 1.00 0.00 H new ATOM 1298 N LYS A 87 -2.576 -4.303 10.060 1.00 0.00 N ATOM 1299 CA LYS A 87 -3.442 -5.008 9.073 1.00 0.00 C ATOM 1300 C LYS A 87 -4.234 -6.105 9.786 1.00 0.00 C ATOM 1301 O LYS A 87 -3.751 -6.737 10.705 1.00 0.00 O ATOM 1302 CB LYS A 87 -2.571 -5.639 7.983 1.00 0.00 C ATOM 1303 CG LYS A 87 -1.859 -4.540 7.192 1.00 0.00 C ATOM 1304 CD LYS A 87 -1.099 -5.165 6.020 1.00 0.00 C ATOM 1305 CE LYS A 87 -0.278 -4.087 5.310 1.00 0.00 C ATOM 1306 NZ LYS A 87 -0.926 -2.760 5.508 1.00 0.00 N ATOM 0 H LYS A 87 -1.594 -4.580 10.053 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.130 -4.294 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.839 -6.310 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.187 -6.241 7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.584 -3.815 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.169 -4.000 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.444 -5.958 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.799 -5.623 5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.738 -4.070 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.204 -4.313 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.517 -2.072 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.948 -2.843 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.765 -2.437 6.484 1.00 0.00 H new ATOM 1320 N LEU A 88 -5.450 -6.337 9.371 1.00 0.00 N ATOM 1321 CA LEU A 88 -6.273 -7.392 10.026 1.00 0.00 C ATOM 1322 C LEU A 88 -5.539 -8.732 9.948 1.00 0.00 C ATOM 1323 O LEU A 88 -5.578 -9.526 10.867 1.00 0.00 O ATOM 1324 CB LEU A 88 -7.621 -7.504 9.309 1.00 0.00 C ATOM 1325 CG LEU A 88 -8.513 -8.508 10.044 1.00 0.00 C ATOM 1326 CD1 LEU A 88 -8.923 -7.940 11.406 1.00 0.00 C ATOM 1327 CD2 LEU A 88 -9.767 -8.778 9.209 1.00 0.00 C ATOM 0 H LEU A 88 -5.908 -5.841 8.607 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.438 -7.130 11.071 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.107 -6.529 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.470 -7.823 8.278 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.962 -9.437 10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -9.558 -8.659 11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.032 -7.747 12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -9.472 -7.009 11.262 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -10.404 -9.493 9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -10.313 -7.846 9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.478 -9.188 8.241 1.00 0.00 H new ATOM 1339 N GLN A 89 -4.870 -8.991 8.858 1.00 0.00 N ATOM 1340 CA GLN A 89 -4.136 -10.281 8.722 1.00 0.00 C ATOM 1341 C GLN A 89 -5.093 -11.443 8.994 1.00 0.00 C ATOM 1342 O GLN A 89 -4.704 -12.348 9.714 1.00 0.00 O ATOM 1343 CB GLN A 89 -2.985 -10.322 9.730 1.00 0.00 C ATOM 1344 CG GLN A 89 -1.972 -9.225 9.393 1.00 0.00 C ATOM 1345 CD GLN A 89 -0.846 -9.234 10.429 1.00 0.00 C ATOM 1346 OE1 GLN A 89 -0.984 -9.814 11.488 1.00 0.00 O ATOM 1347 NE2 GLN A 89 0.270 -8.612 10.166 1.00 0.00 N ATOM 1348 OXT GLN A 89 -6.198 -11.408 8.478 1.00 0.00 O ATOM 0 H GLN A 89 -4.800 -8.365 8.056 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.737 -10.367 7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.368 -10.180 10.741 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -2.501 -11.298 9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.564 -9.386 8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.463 -8.252 9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.385 -8.125 9.277 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.027 -8.612 10.849 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 1.579 -5.746 -14.153 1.00 0.00 O HETATM 1359 O4 PN7 A 101 3.642 -6.516 -12.529 1.00 0.00 O HETATM 1360 C2 PN7 A 101 0.858 -5.132 -11.942 1.00 0.00 C HETATM 1361 C1 PN7 A 101 1.020 -6.520 -11.318 1.00 0.00 C HETATM 1362 P PN7 A 101 1.332 -8.930 -11.675 1.00 0.00 P HETATM 1363 O1P PN7 A 101 -0.014 -9.137 -11.096 1.00 0.00 O HETATM 1364 O2P PN7 A 101 1.867 -9.895 -12.661 1.00 0.00 O HETATM 1365 O3P PN7 A 101 1.375 -7.461 -12.336 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 1.038 -4.061 -10.864 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 -0.537 -5.005 -12.557 1.00 0.00 C HETATM 1368 C3 PN7 A 101 1.912 -4.939 -13.031 1.00 0.00 C HETATM 1369 C4 PN7 A 101 3.282 -5.356 -12.499 1.00 0.00 C HETATM 1370 N5 PN7 A 101 4.093 -4.407 -12.116 1.00 0.00 N HETATM 1371 C6 PN7 A 101 5.566 -4.627 -12.167 1.00 0.00 C HETATM 1372 C7 PN7 A 101 6.018 -5.358 -10.901 1.00 0.00 C HETATM 1373 C8 PN7 A 101 5.679 -6.845 -11.019 1.00 0.00 C HETATM 1374 O8 PN7 A 101 6.205 -7.545 -11.862 1.00 0.00 O HETATM 1375 N9 PN7 A 101 4.725 -7.308 -10.257 1.00 0.00 N HETATM 1376 C10 PN7 A 101 5.035 -8.318 -9.205 1.00 0.00 C HETATM 1377 C11 PN7 A 101 5.234 -9.688 -9.856 1.00 0.00 C HETATM 1378 S12 PN7 A 101 6.878 -9.766 -10.609 1.00 0.00 S