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 Set 1.1: A 5 SER OG : rot -16:sc= -0.145 USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=-0.14) USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0.928 USER MOD Set 2.2: A 71 SER OG : rot 79:sc= 1.02 USER MOD Single : A 1 MET CE :methyl -109:sc= -0.972 (180deg=-2.62!) USER MOD Single : A 1 MET N :NH3+ -142:sc= -0.025 (180deg=-0.557) USER MOD Single : A 2 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.36) USER MOD Single : A 3 HIS : no HD1:sc= -9.03! C(o=-9!,f=-12!) USER MOD Single : A 9 GLN : amide:sc= -0.0418 X(o=-0.042,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= -4.36! (180deg=-8.43!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.565 USER MOD Single : A 65 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-2.9) USER MOD Single : A 80 THR OG1 : rot 150:sc= 0.033 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -120:sc= 0.354 (180deg=-4.78!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.531 11.587 5.255 1.00 0.00 N ATOM 2 CA MET A 1 -0.380 12.092 4.193 1.00 0.00 C ATOM 3 C MET A 1 -1.822 11.768 4.578 1.00 0.00 C ATOM 4 O MET A 1 -2.139 11.580 5.737 1.00 0.00 O ATOM 5 CB MET A 1 -0.045 11.404 2.868 1.00 0.00 C ATOM 6 CG MET A 1 1.414 11.681 2.505 1.00 0.00 C ATOM 7 SD MET A 1 1.776 10.977 0.877 1.00 0.00 S ATOM 8 CE MET A 1 3.549 11.335 0.866 1.00 0.00 C ATOM 0 H1 MET A 1 1.310 12.262 5.394 1.00 0.00 H new ATOM 0 H2 MET A 1 0.002 11.480 6.144 1.00 0.00 H new ATOM 0 H3 MET A 1 0.919 10.665 4.970 1.00 0.00 H new ATOM 0 HA MET A 1 -0.259 13.170 4.085 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.213 10.330 2.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.703 11.770 2.080 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.600 12.755 2.498 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.075 11.248 3.255 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.755 12.130 0.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.862 11.653 1.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.100 10.438 0.582 1.00 0.00 H new ATOM 20 N GLN A 2 -2.699 11.693 3.618 1.00 0.00 N ATOM 21 CA GLN A 2 -4.117 11.368 3.933 1.00 0.00 C ATOM 22 C GLN A 2 -4.170 10.002 4.619 1.00 0.00 C ATOM 23 O GLN A 2 -4.983 9.761 5.489 1.00 0.00 O ATOM 24 CB GLN A 2 -4.932 11.323 2.638 1.00 0.00 C ATOM 25 CG GLN A 2 -4.904 12.698 1.966 1.00 0.00 C ATOM 26 CD GLN A 2 -5.520 13.740 2.901 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.600 13.542 3.422 1.00 0.00 O ATOM 28 NE2 GLN A 2 -4.875 14.850 3.138 1.00 0.00 N ATOM 0 H GLN A 2 -2.496 11.842 2.630 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.534 12.130 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.523 10.570 1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.960 11.033 2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.878 12.974 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.456 12.666 1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.969 15.016 2.701 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.277 15.551 3.760 1.00 0.00 H new ATOM 37 N HIS A 3 -3.300 9.111 4.232 1.00 0.00 N ATOM 38 CA HIS A 3 -3.277 7.758 4.854 1.00 0.00 C ATOM 39 C HIS A 3 -2.045 7.003 4.358 1.00 0.00 C ATOM 40 O HIS A 3 -2.025 5.790 4.304 1.00 0.00 O ATOM 41 CB HIS A 3 -4.541 6.988 4.463 1.00 0.00 C ATOM 42 CG HIS A 3 -4.937 7.347 3.059 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.695 8.475 2.769 1.00 0.00 N ATOM 44 CD2 HIS A 3 -4.695 6.738 1.852 1.00 0.00 C ATOM 45 CE1 HIS A 3 -5.880 8.508 1.437 1.00 0.00 C ATOM 46 NE2 HIS A 3 -5.290 7.473 0.834 1.00 0.00 N ATOM 0 H HIS A 3 -2.599 9.263 3.507 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.239 7.854 5.939 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.363 5.915 4.538 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.351 7.226 5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.129 5.828 1.715 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.436 9.276 0.920 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -5.279 7.265 -0.165 1.00 0.00 H new ATOM 55 N ALA A 4 -1.013 7.716 3.991 1.00 0.00 N ATOM 56 CA ALA A 4 0.219 7.044 3.494 1.00 0.00 C ATOM 57 C ALA A 4 0.794 6.150 4.593 1.00 0.00 C ATOM 58 O ALA A 4 1.338 5.096 4.327 1.00 0.00 O ATOM 59 CB ALA A 4 1.255 8.100 3.105 1.00 0.00 C ATOM 0 H ALA A 4 -0.972 8.735 4.015 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.027 6.436 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.157 7.608 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.848 8.738 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.500 8.708 3.976 1.00 0.00 H new ATOM 65 N SER A 5 0.683 6.560 5.827 1.00 0.00 N ATOM 66 CA SER A 5 1.229 5.727 6.934 1.00 0.00 C ATOM 67 C SER A 5 0.558 4.355 6.918 1.00 0.00 C ATOM 68 O SER A 5 1.200 3.338 7.092 1.00 0.00 O ATOM 69 CB SER A 5 0.959 6.414 8.273 1.00 0.00 C ATOM 70 OG SER A 5 1.638 5.713 9.306 1.00 0.00 O ATOM 0 H SER A 5 0.240 7.432 6.115 1.00 0.00 H new ATOM 0 HA SER A 5 2.304 5.606 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.297 7.450 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.112 6.435 8.475 1.00 0.00 H new ATOM 0 HG SER A 5 1.897 4.825 8.983 1.00 0.00 H new ATOM 76 N VAL A 6 -0.726 4.314 6.696 1.00 0.00 N ATOM 77 CA VAL A 6 -1.428 3.002 6.657 1.00 0.00 C ATOM 78 C VAL A 6 -0.913 2.201 5.465 1.00 0.00 C ATOM 79 O VAL A 6 -0.717 1.007 5.544 1.00 0.00 O ATOM 80 CB VAL A 6 -2.931 3.221 6.510 1.00 0.00 C ATOM 81 CG1 VAL A 6 -3.621 1.877 6.260 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.483 3.844 7.795 1.00 0.00 C ATOM 0 H VAL A 6 -1.318 5.130 6.540 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.237 2.459 7.582 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.120 3.889 5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.695 2.033 6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.228 1.431 5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.432 1.209 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.557 4.001 7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.294 3.175 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.992 4.800 7.976 1.00 0.00 H new ATOM 92 N ILE A 7 -0.695 2.854 4.359 1.00 0.00 N ATOM 93 CA ILE A 7 -0.193 2.136 3.155 1.00 0.00 C ATOM 94 C ILE A 7 1.150 1.481 3.479 1.00 0.00 C ATOM 95 O ILE A 7 1.350 0.305 3.248 1.00 0.00 O ATOM 96 CB ILE A 7 -0.012 3.140 2.018 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.361 3.792 1.700 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.510 2.418 0.775 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.160 4.921 0.689 1.00 0.00 C ATOM 0 H ILE A 7 -0.843 3.856 4.236 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.906 1.368 2.856 1.00 0.00 H new ATOM 0 HB ILE A 7 0.704 3.905 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.050 3.049 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.811 4.183 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.639 3.136 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.468 1.951 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.204 1.653 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.121 5.383 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.487 5.669 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.729 4.517 -0.227 1.00 0.00 H new ATOM 111 N ALA A 8 2.068 2.230 4.024 1.00 0.00 N ATOM 112 CA ALA A 8 3.392 1.645 4.375 1.00 0.00 C ATOM 113 C ALA A 8 3.192 0.582 5.453 1.00 0.00 C ATOM 114 O ALA A 8 3.773 -0.483 5.415 1.00 0.00 O ATOM 115 CB ALA A 8 4.314 2.744 4.905 1.00 0.00 C ATOM 0 H ALA A 8 1.959 3.221 4.241 1.00 0.00 H new ATOM 0 HA ALA A 8 3.843 1.195 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.282 2.314 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.447 3.508 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.870 3.194 5.793 1.00 0.00 H new ATOM 121 N GLN A 9 2.362 0.871 6.415 1.00 0.00 N ATOM 122 CA GLN A 9 2.102 -0.112 7.500 1.00 0.00 C ATOM 123 C GLN A 9 1.399 -1.339 6.919 1.00 0.00 C ATOM 124 O GLN A 9 1.664 -2.460 7.299 1.00 0.00 O ATOM 125 CB GLN A 9 1.200 0.535 8.555 1.00 0.00 C ATOM 126 CG GLN A 9 0.984 -0.436 9.715 1.00 0.00 C ATOM 127 CD GLN A 9 -0.514 -0.563 9.998 1.00 0.00 C ATOM 128 OE1 GLN A 9 -0.983 -0.166 11.046 1.00 0.00 O ATOM 129 NE2 GLN A 9 -1.290 -1.102 9.097 1.00 0.00 N ATOM 0 H GLN A 9 1.851 1.750 6.496 1.00 0.00 H new ATOM 0 HA GLN A 9 3.045 -0.415 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.654 1.457 8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.242 0.805 8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.403 -1.412 9.470 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.504 -0.080 10.604 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.895 -1.435 8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.291 -1.190 9.273 1.00 0.00 H new ATOM 138 N PHE A 10 0.492 -1.129 6.011 1.00 0.00 N ATOM 139 CA PHE A 10 -0.255 -2.270 5.410 1.00 0.00 C ATOM 140 C PHE A 10 0.717 -3.206 4.692 1.00 0.00 C ATOM 141 O PHE A 10 0.735 -4.400 4.923 1.00 0.00 O ATOM 142 CB PHE A 10 -1.265 -1.716 4.405 1.00 0.00 C ATOM 143 CG PHE A 10 -2.258 -2.785 4.023 1.00 0.00 C ATOM 144 CD1 PHE A 10 -3.422 -2.949 4.781 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.021 -3.602 2.912 1.00 0.00 C ATOM 146 CE1 PHE A 10 -4.353 -3.931 4.429 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.952 -4.587 2.561 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.118 -4.751 3.318 1.00 0.00 C ATOM 0 H PHE A 10 0.232 -0.209 5.655 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.770 -2.827 6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.787 -0.862 4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.746 -1.357 3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.602 -2.317 5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.122 -3.473 2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.253 -4.057 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.770 -5.221 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.836 -5.510 3.045 1.00 0.00 H new ATOM 158 N VAL A 11 1.528 -2.673 3.823 1.00 0.00 N ATOM 159 CA VAL A 11 2.504 -3.527 3.089 1.00 0.00 C ATOM 160 C VAL A 11 3.626 -3.968 4.034 1.00 0.00 C ATOM 161 O VAL A 11 4.054 -5.105 4.017 1.00 0.00 O ATOM 162 CB VAL A 11 3.094 -2.744 1.908 1.00 0.00 C ATOM 163 CG1 VAL A 11 3.665 -1.410 2.394 1.00 0.00 C ATOM 164 CG2 VAL A 11 4.215 -3.563 1.266 1.00 0.00 C ATOM 0 H VAL A 11 1.558 -1.681 3.588 1.00 0.00 H new ATOM 0 HA VAL A 11 1.991 -4.411 2.711 1.00 0.00 H new ATOM 0 HB VAL A 11 2.306 -2.554 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.081 -0.863 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.872 -0.820 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.450 -1.596 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.636 -3.009 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.995 -3.753 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.814 -4.512 0.910 1.00 0.00 H new ATOM 174 N VAL A 12 4.109 -3.073 4.851 1.00 0.00 N ATOM 175 CA VAL A 12 5.209 -3.433 5.793 1.00 0.00 C ATOM 176 C VAL A 12 4.725 -4.484 6.799 1.00 0.00 C ATOM 177 O VAL A 12 5.454 -5.383 7.166 1.00 0.00 O ATOM 178 CB VAL A 12 5.665 -2.182 6.541 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.747 -2.557 7.551 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.232 -1.168 5.544 1.00 0.00 C ATOM 0 H VAL A 12 3.790 -2.106 4.908 1.00 0.00 H new ATOM 0 HA VAL A 12 6.042 -3.847 5.225 1.00 0.00 H new ATOM 0 HB VAL A 12 4.815 -1.744 7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.072 -1.664 8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.346 -3.279 8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.596 -2.996 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.557 -0.275 6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.081 -1.608 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.462 -0.898 4.822 1.00 0.00 H new ATOM 190 N GLU A 13 3.506 -4.374 7.252 1.00 0.00 N ATOM 191 CA GLU A 13 2.983 -5.361 8.243 1.00 0.00 C ATOM 192 C GLU A 13 3.097 -6.779 7.684 1.00 0.00 C ATOM 193 O GLU A 13 3.222 -7.735 8.424 1.00 0.00 O ATOM 194 CB GLU A 13 1.518 -5.055 8.554 1.00 0.00 C ATOM 195 CG GLU A 13 1.012 -6.011 9.633 1.00 0.00 C ATOM 196 CD GLU A 13 -0.479 -5.767 9.875 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.037 -4.918 9.200 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.037 -6.433 10.731 1.00 0.00 O ATOM 0 H GLU A 13 2.848 -3.644 6.979 1.00 0.00 H new ATOM 0 HA GLU A 13 3.573 -5.287 9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.415 -4.023 8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.915 -5.157 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.177 -7.043 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.570 -5.861 10.557 1.00 0.00 H new ATOM 205 N GLU A 14 3.056 -6.931 6.391 1.00 0.00 N ATOM 206 CA GLU A 14 3.161 -8.297 5.807 1.00 0.00 C ATOM 207 C GLU A 14 4.544 -8.869 6.122 1.00 0.00 C ATOM 208 O GLU A 14 4.715 -10.064 6.263 1.00 0.00 O ATOM 209 CB GLU A 14 2.971 -8.224 4.292 1.00 0.00 C ATOM 210 CG GLU A 14 1.551 -7.752 3.976 1.00 0.00 C ATOM 211 CD GLU A 14 1.335 -7.765 2.463 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.211 -7.542 2.043 1.00 0.00 O ATOM 213 OE2 GLU A 14 2.297 -8.000 1.750 1.00 0.00 O ATOM 0 H GLU A 14 2.955 -6.173 5.716 1.00 0.00 H new ATOM 0 HA GLU A 14 2.390 -8.939 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.698 -7.539 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.148 -9.202 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.824 -8.401 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.395 -6.747 4.368 1.00 0.00 H new ATOM 220 N PHE A 15 5.530 -8.024 6.240 1.00 0.00 N ATOM 221 CA PHE A 15 6.900 -8.517 6.553 1.00 0.00 C ATOM 222 C PHE A 15 7.691 -7.402 7.247 1.00 0.00 C ATOM 223 O PHE A 15 8.755 -7.012 6.807 1.00 0.00 O ATOM 224 CB PHE A 15 7.602 -8.932 5.256 1.00 0.00 C ATOM 225 CG PHE A 15 7.015 -8.172 4.089 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.642 -8.858 2.928 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.847 -6.783 4.166 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.102 -8.158 1.843 1.00 0.00 C ATOM 229 CE2 PHE A 15 6.307 -6.083 3.081 1.00 0.00 C ATOM 230 CZ PHE A 15 5.934 -6.771 1.919 1.00 0.00 C ATOM 0 H PHE A 15 5.446 -7.013 6.133 1.00 0.00 H new ATOM 0 HA PHE A 15 6.841 -9.381 7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.671 -8.733 5.331 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.488 -10.004 5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.771 -9.929 2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.134 -6.253 5.062 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.815 -8.688 0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.178 -5.012 3.140 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.517 -6.231 1.082 1.00 0.00 H new ATOM 240 N LEU A 16 7.175 -6.878 8.326 1.00 0.00 N ATOM 241 CA LEU A 16 7.892 -5.787 9.035 1.00 0.00 C ATOM 242 C LEU A 16 8.997 -6.373 9.925 1.00 0.00 C ATOM 243 O LEU A 16 8.790 -7.355 10.608 1.00 0.00 O ATOM 244 CB LEU A 16 6.893 -4.979 9.880 1.00 0.00 C ATOM 245 CG LEU A 16 6.562 -5.697 11.194 1.00 0.00 C ATOM 246 CD1 LEU A 16 5.619 -4.818 12.019 1.00 0.00 C ATOM 247 CD2 LEU A 16 5.868 -7.031 10.896 1.00 0.00 C ATOM 0 H LEU A 16 6.289 -7.160 8.745 1.00 0.00 H new ATOM 0 HA LEU A 16 8.355 -5.124 8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.309 -3.995 10.096 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.978 -4.820 9.310 1.00 0.00 H new ATOM 0 HG LEU A 16 7.483 -5.883 11.747 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.378 -5.321 12.955 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.104 -3.865 12.233 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.702 -4.640 11.457 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.635 -7.537 11.833 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.946 -6.846 10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.529 -7.659 10.299 1.00 0.00 H new ATOM 259 N PRO A 17 10.162 -5.774 9.934 1.00 0.00 N ATOM 260 CA PRO A 17 11.289 -6.258 10.776 1.00 0.00 C ATOM 261 C PRO A 17 11.030 -5.961 12.256 1.00 0.00 C ATOM 262 O PRO A 17 9.898 -5.846 12.683 1.00 0.00 O ATOM 263 CB PRO A 17 12.495 -5.466 10.258 1.00 0.00 C ATOM 264 CG PRO A 17 11.923 -4.217 9.677 1.00 0.00 C ATOM 265 CD PRO A 17 10.536 -4.579 9.158 1.00 0.00 C ATOM 0 HA PRO A 17 11.435 -7.336 10.711 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.194 -5.241 11.064 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.046 -6.033 9.507 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.863 -3.431 10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.553 -3.840 8.871 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.828 -3.765 9.313 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.553 -4.788 8.088 1.00 0.00 H new ATOM 273 N ASP A 18 12.058 -5.824 13.037 1.00 0.00 N ATOM 274 CA ASP A 18 11.863 -5.524 14.478 1.00 0.00 C ATOM 275 C ASP A 18 11.634 -4.020 14.643 1.00 0.00 C ATOM 276 O ASP A 18 11.734 -3.480 15.727 1.00 0.00 O ATOM 277 CB ASP A 18 13.112 -5.948 15.253 1.00 0.00 C ATOM 278 CG ASP A 18 14.317 -5.127 14.787 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.112 -4.149 14.087 1.00 0.00 O ATOM 280 OD2 ASP A 18 15.426 -5.492 15.139 1.00 0.00 O ATOM 0 H ASP A 18 13.030 -5.907 12.739 1.00 0.00 H new ATOM 0 HA ASP A 18 11.001 -6.068 14.863 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.954 -5.804 16.322 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.303 -7.010 15.099 1.00 0.00 H new ATOM 285 N VAL A 19 11.341 -3.343 13.565 1.00 0.00 N ATOM 286 CA VAL A 19 11.116 -1.870 13.636 1.00 0.00 C ATOM 287 C VAL A 19 9.651 -1.551 13.328 1.00 0.00 C ATOM 288 O VAL A 19 9.065 -2.100 12.415 1.00 0.00 O ATOM 289 CB VAL A 19 12.003 -1.184 12.600 1.00 0.00 C ATOM 290 CG1 VAL A 19 11.856 0.334 12.723 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.463 -1.574 12.840 1.00 0.00 C ATOM 0 H VAL A 19 11.247 -3.749 12.634 1.00 0.00 H new ATOM 0 HA VAL A 19 11.359 -1.514 14.637 1.00 0.00 H new ATOM 0 HB VAL A 19 11.701 -1.498 11.601 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.490 0.822 11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.817 0.614 12.552 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.157 0.649 13.722 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.097 -1.084 12.100 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.764 -1.261 13.840 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.570 -2.655 12.751 1.00 0.00 H new ATOM 301 N ALA A 20 9.057 -0.662 14.076 1.00 0.00 N ATOM 302 CA ALA A 20 7.634 -0.304 13.818 1.00 0.00 C ATOM 303 C ALA A 20 7.544 0.476 12.494 1.00 0.00 C ATOM 304 O ALA A 20 8.363 1.335 12.233 1.00 0.00 O ATOM 305 CB ALA A 20 7.119 0.576 14.959 1.00 0.00 C ATOM 0 H ALA A 20 9.495 -0.169 14.854 1.00 0.00 H new ATOM 0 HA ALA A 20 7.031 -1.210 13.755 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.078 0.840 14.773 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.193 0.032 15.900 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.719 1.484 15.017 1.00 0.00 H new ATOM 311 N PRO A 21 6.563 0.199 11.660 1.00 0.00 N ATOM 312 CA PRO A 21 6.406 0.918 10.361 1.00 0.00 C ATOM 313 C PRO A 21 6.487 2.439 10.529 1.00 0.00 C ATOM 314 O PRO A 21 6.928 3.150 9.650 1.00 0.00 O ATOM 315 CB PRO A 21 5.010 0.524 9.881 1.00 0.00 C ATOM 316 CG PRO A 21 4.686 -0.762 10.565 1.00 0.00 C ATOM 317 CD PRO A 21 5.514 -0.820 11.848 1.00 0.00 C ATOM 0 HA PRO A 21 7.199 0.652 9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.280 1.294 10.132 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.989 0.405 8.798 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.621 -0.818 10.793 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.919 -1.609 9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.903 -0.603 12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.945 -1.810 11.997 1.00 0.00 H new ATOM 325 N ALA A 22 6.062 2.940 11.656 1.00 0.00 N ATOM 326 CA ALA A 22 6.112 4.412 11.889 1.00 0.00 C ATOM 327 C ALA A 22 7.571 4.864 11.977 1.00 0.00 C ATOM 328 O ALA A 22 7.878 6.035 11.869 1.00 0.00 O ATOM 329 CB ALA A 22 5.396 4.743 13.198 1.00 0.00 C ATOM 0 H ALA A 22 5.681 2.393 12.428 1.00 0.00 H new ATOM 0 HA ALA A 22 5.621 4.929 11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.431 5.819 13.370 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.357 4.419 13.136 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.888 4.227 14.022 1.00 0.00 H new ATOM 335 N ASP A 23 8.470 3.942 12.177 1.00 0.00 N ATOM 336 CA ASP A 23 9.910 4.305 12.277 1.00 0.00 C ATOM 337 C ASP A 23 10.605 3.967 10.960 1.00 0.00 C ATOM 338 O ASP A 23 11.813 4.027 10.848 1.00 0.00 O ATOM 339 CB ASP A 23 10.559 3.516 13.417 1.00 0.00 C ATOM 340 CG ASP A 23 9.975 3.977 14.754 1.00 0.00 C ATOM 341 OD1 ASP A 23 9.315 5.003 14.767 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.200 3.297 15.741 1.00 0.00 O ATOM 0 H ASP A 23 8.268 2.947 12.276 1.00 0.00 H new ATOM 0 HA ASP A 23 10.006 5.372 12.478 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.384 2.449 13.280 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.639 3.666 13.409 1.00 0.00 H new ATOM 347 N VAL A 24 9.847 3.614 9.961 1.00 0.00 N ATOM 348 CA VAL A 24 10.457 3.274 8.648 1.00 0.00 C ATOM 349 C VAL A 24 10.328 4.480 7.720 1.00 0.00 C ATOM 350 O VAL A 24 9.299 5.122 7.661 1.00 0.00 O ATOM 351 CB VAL A 24 9.725 2.077 8.038 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.406 1.675 6.729 1.00 0.00 C ATOM 353 CG2 VAL A 24 9.770 0.902 9.017 1.00 0.00 C ATOM 0 H VAL A 24 8.830 3.546 9.998 1.00 0.00 H new ATOM 0 HA VAL A 24 11.508 3.019 8.781 1.00 0.00 H new ATOM 0 HB VAL A 24 8.688 2.347 7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.884 0.822 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.377 2.512 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.443 1.404 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.249 0.048 8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.808 0.632 9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.286 1.188 9.951 1.00 0.00 H new ATOM 363 N ASP A 25 11.366 4.801 7.002 1.00 0.00 N ATOM 364 CA ASP A 25 11.298 5.974 6.093 1.00 0.00 C ATOM 365 C ASP A 25 10.354 5.665 4.930 1.00 0.00 C ATOM 366 O ASP A 25 10.764 5.162 3.902 1.00 0.00 O ATOM 367 CB ASP A 25 12.695 6.280 5.548 1.00 0.00 C ATOM 368 CG ASP A 25 13.596 6.751 6.692 1.00 0.00 C ATOM 369 OD1 ASP A 25 14.797 6.813 6.485 1.00 0.00 O ATOM 370 OD2 ASP A 25 13.070 7.041 7.754 1.00 0.00 O ATOM 0 H ASP A 25 12.256 4.303 7.006 1.00 0.00 H new ATOM 0 HA ASP A 25 10.926 6.838 6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.118 5.391 5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.636 7.048 4.777 1.00 0.00 H new ATOM 375 N VAL A 26 9.093 5.967 5.082 1.00 0.00 N ATOM 376 CA VAL A 26 8.124 5.695 3.986 1.00 0.00 C ATOM 377 C VAL A 26 8.545 6.451 2.719 1.00 0.00 C ATOM 378 O VAL A 26 7.844 6.454 1.728 1.00 0.00 O ATOM 379 CB VAL A 26 6.738 6.168 4.425 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.681 7.696 4.378 1.00 0.00 C ATOM 381 CG2 VAL A 26 5.681 5.594 3.486 1.00 0.00 C ATOM 0 H VAL A 26 8.693 6.391 5.919 1.00 0.00 H new ATOM 0 HA VAL A 26 8.103 4.627 3.771 1.00 0.00 H new ATOM 0 HB VAL A 26 6.546 5.827 5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.693 8.033 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.435 8.109 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.875 8.036 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.693 5.932 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.875 5.934 2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.719 4.505 3.518 1.00 0.00 H new ATOM 391 N ASP A 27 9.689 7.080 2.737 1.00 0.00 N ATOM 392 CA ASP A 27 10.153 7.819 1.529 1.00 0.00 C ATOM 393 C ASP A 27 10.974 6.870 0.654 1.00 0.00 C ATOM 394 O ASP A 27 11.554 7.263 -0.338 1.00 0.00 O ATOM 395 CB ASP A 27 11.021 9.005 1.953 1.00 0.00 C ATOM 396 CG ASP A 27 10.163 10.022 2.707 1.00 0.00 C ATOM 397 OD1 ASP A 27 10.733 10.909 3.321 1.00 0.00 O ATOM 398 OD2 ASP A 27 8.950 9.897 2.659 1.00 0.00 O ATOM 0 H ASP A 27 10.322 7.114 3.536 1.00 0.00 H new ATOM 0 HA ASP A 27 9.294 8.189 0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.839 8.662 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.471 9.472 1.077 1.00 0.00 H new ATOM 403 N LEU A 28 11.026 5.619 1.023 1.00 0.00 N ATOM 404 CA LEU A 28 11.805 4.627 0.229 1.00 0.00 C ATOM 405 C LEU A 28 10.879 3.929 -0.760 1.00 0.00 C ATOM 406 O LEU A 28 9.782 3.530 -0.422 1.00 0.00 O ATOM 407 CB LEU A 28 12.403 3.582 1.173 1.00 0.00 C ATOM 408 CG LEU A 28 13.307 2.626 0.389 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.767 3.045 0.562 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.114 1.200 0.914 1.00 0.00 C ATOM 0 H LEU A 28 10.559 5.239 1.846 1.00 0.00 H new ATOM 0 HA LEU A 28 12.602 5.139 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.975 4.075 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.605 3.023 1.662 1.00 0.00 H new ATOM 0 HG LEU A 28 13.046 2.662 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.410 2.364 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.901 4.060 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.033 3.010 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.756 0.517 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.375 1.163 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.073 0.903 0.787 1.00 0.00 H new ATOM 422 N ASP A 29 11.313 3.760 -1.977 1.00 0.00 N ATOM 423 CA ASP A 29 10.451 3.067 -2.966 1.00 0.00 C ATOM 424 C ASP A 29 10.218 1.640 -2.474 1.00 0.00 C ATOM 425 O ASP A 29 11.150 0.891 -2.253 1.00 0.00 O ATOM 426 CB ASP A 29 11.143 3.040 -4.330 1.00 0.00 C ATOM 427 CG ASP A 29 11.267 4.466 -4.868 1.00 0.00 C ATOM 428 OD1 ASP A 29 10.618 5.344 -4.321 1.00 0.00 O ATOM 429 OD2 ASP A 29 12.008 4.658 -5.819 1.00 0.00 O ATOM 0 H ASP A 29 12.220 4.070 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 29 9.501 3.590 -3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.130 2.587 -4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.573 2.426 -5.027 1.00 0.00 H new ATOM 434 N LEU A 30 8.988 1.263 -2.281 1.00 0.00 N ATOM 435 CA LEU A 30 8.706 -0.110 -1.780 1.00 0.00 C ATOM 436 C LEU A 30 9.061 -1.143 -2.853 1.00 0.00 C ATOM 437 O LEU A 30 8.688 -2.295 -2.761 1.00 0.00 O ATOM 438 CB LEU A 30 7.224 -0.226 -1.418 1.00 0.00 C ATOM 439 CG LEU A 30 6.371 0.010 -2.667 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.516 -1.226 -2.947 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.455 1.215 -2.446 1.00 0.00 C ATOM 0 H LEU A 30 8.166 1.844 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 30 9.312 -0.300 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.016 -1.213 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.969 0.502 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 30 7.027 0.201 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.910 -1.055 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.164 -2.087 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.864 -1.418 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.849 1.380 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.802 1.025 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.060 2.100 -2.249 1.00 0.00 H new ATOM 453 N VAL A 31 9.782 -0.747 -3.869 1.00 0.00 N ATOM 454 CA VAL A 31 10.154 -1.724 -4.932 1.00 0.00 C ATOM 455 C VAL A 31 10.857 -2.909 -4.282 1.00 0.00 C ATOM 456 O VAL A 31 10.604 -4.052 -4.604 1.00 0.00 O ATOM 457 CB VAL A 31 11.099 -1.062 -5.934 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.625 -2.113 -6.913 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.347 0.022 -6.705 1.00 0.00 C ATOM 0 H VAL A 31 10.127 0.203 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 31 9.258 -2.059 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 31 11.936 -0.613 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.299 -1.640 -7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.163 -2.885 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.788 -2.564 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.021 0.494 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.509 -0.426 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.974 0.772 -6.008 1.00 0.00 H new ATOM 469 N ASP A 32 11.726 -2.642 -3.351 1.00 0.00 N ATOM 470 CA ASP A 32 12.429 -3.755 -2.660 1.00 0.00 C ATOM 471 C ASP A 32 11.372 -4.688 -2.077 1.00 0.00 C ATOM 472 O ASP A 32 11.527 -5.893 -2.051 1.00 0.00 O ATOM 473 CB ASP A 32 13.302 -3.195 -1.533 1.00 0.00 C ATOM 474 CG ASP A 32 14.451 -2.382 -2.133 1.00 0.00 C ATOM 475 OD1 ASP A 32 15.111 -1.683 -1.381 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.651 -2.472 -3.333 1.00 0.00 O ATOM 0 H ASP A 32 11.980 -1.705 -3.039 1.00 0.00 H new ATOM 0 HA ASP A 32 13.067 -4.294 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.704 -2.567 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.697 -4.009 -0.926 1.00 0.00 H new ATOM 481 N ASN A 33 10.283 -4.127 -1.628 1.00 0.00 N ATOM 482 CA ASN A 33 9.184 -4.952 -1.063 1.00 0.00 C ATOM 483 C ASN A 33 8.307 -5.447 -2.209 1.00 0.00 C ATOM 484 O ASN A 33 7.203 -5.913 -2.006 1.00 0.00 O ATOM 485 CB ASN A 33 8.349 -4.107 -0.108 1.00 0.00 C ATOM 486 CG ASN A 33 9.248 -3.544 0.988 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.028 -4.260 1.583 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.176 -2.277 1.275 1.00 0.00 N ATOM 0 H ASN A 33 10.108 -3.122 -1.630 1.00 0.00 H new ATOM 0 HA ASN A 33 9.598 -5.800 -0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.866 -3.294 -0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.556 -4.712 0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.775 -1.884 2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.520 -1.677 0.774 1.00 0.00 H new ATOM 495 N GLY A 34 8.796 -5.337 -3.417 1.00 0.00 N ATOM 496 CA GLY A 34 8.010 -5.794 -4.597 1.00 0.00 C ATOM 497 C GLY A 34 7.354 -7.136 -4.281 1.00 0.00 C ATOM 498 O GLY A 34 6.461 -7.581 -4.972 1.00 0.00 O ATOM 0 H GLY A 34 9.713 -4.947 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.249 -5.055 -4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.661 -5.891 -5.466 1.00 0.00 H new ATOM 502 N VAL A 35 7.786 -7.784 -3.238 1.00 0.00 N ATOM 503 CA VAL A 35 7.179 -9.095 -2.879 1.00 0.00 C ATOM 504 C VAL A 35 5.659 -8.936 -2.823 1.00 0.00 C ATOM 505 O VAL A 35 4.915 -9.835 -3.158 1.00 0.00 O ATOM 506 CB VAL A 35 7.698 -9.540 -1.509 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.895 -10.747 -1.024 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.174 -9.923 -1.622 1.00 0.00 C ATOM 0 H VAL A 35 8.531 -7.464 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 35 7.446 -9.844 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 35 7.588 -8.722 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.266 -11.063 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.843 -10.475 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.003 -11.566 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.543 -10.240 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.284 -10.740 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.748 -9.062 -1.965 1.00 0.00 H new ATOM 518 N ILE A 36 5.197 -7.793 -2.397 1.00 0.00 N ATOM 519 CA ILE A 36 3.727 -7.560 -2.311 1.00 0.00 C ATOM 520 C ILE A 36 3.127 -7.464 -3.714 1.00 0.00 C ATOM 521 O ILE A 36 1.952 -7.679 -3.915 1.00 0.00 O ATOM 522 CB ILE A 36 3.473 -6.235 -1.595 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.038 -6.214 -1.076 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.670 -5.084 -2.583 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.624 -4.777 -0.752 1.00 0.00 C ATOM 0 H ILE A 36 5.777 -7.007 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 36 3.270 -8.388 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 36 4.167 -6.126 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.365 -6.636 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.955 -6.836 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.490 -4.135 -2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.691 -5.103 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.970 -5.192 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.599 -4.768 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.288 -4.370 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.690 -4.167 -1.653 1.00 0.00 H new ATOM 537 N ASP A 37 3.921 -7.108 -4.676 1.00 0.00 N ATOM 538 CA ASP A 37 3.398 -6.956 -6.065 1.00 0.00 C ATOM 539 C ASP A 37 2.745 -8.250 -6.559 1.00 0.00 C ATOM 540 O ASP A 37 1.798 -8.214 -7.319 1.00 0.00 O ATOM 541 CB ASP A 37 4.548 -6.589 -7.006 1.00 0.00 C ATOM 542 CG ASP A 37 5.102 -5.216 -6.623 1.00 0.00 C ATOM 543 OD1 ASP A 37 4.455 -4.535 -5.846 1.00 0.00 O ATOM 544 OD2 ASP A 37 6.163 -4.868 -7.116 1.00 0.00 O ATOM 0 H ASP A 37 4.916 -6.913 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 37 2.645 -6.168 -6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.335 -7.340 -6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.198 -6.577 -8.038 1.00 0.00 H new ATOM 549 N SER A 38 3.253 -9.391 -6.175 1.00 0.00 N ATOM 550 CA SER A 38 2.660 -10.666 -6.674 1.00 0.00 C ATOM 551 C SER A 38 1.839 -11.364 -5.585 1.00 0.00 C ATOM 552 O SER A 38 0.644 -11.539 -5.715 1.00 0.00 O ATOM 553 CB SER A 38 3.783 -11.594 -7.140 1.00 0.00 C ATOM 554 OG SER A 38 3.804 -11.623 -8.575 1.00 0.00 O ATOM 0 H SER A 38 4.046 -9.495 -5.543 1.00 0.00 H new ATOM 0 HA SER A 38 1.993 -10.433 -7.504 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.742 -11.245 -6.757 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.629 -12.598 -6.746 1.00 0.00 H new ATOM 559 N LEU A 39 2.471 -11.795 -4.530 1.00 0.00 N ATOM 560 CA LEU A 39 1.724 -12.514 -3.459 1.00 0.00 C ATOM 561 C LEU A 39 0.817 -11.556 -2.689 1.00 0.00 C ATOM 562 O LEU A 39 -0.362 -11.799 -2.525 1.00 0.00 O ATOM 563 CB LEU A 39 2.722 -13.160 -2.497 1.00 0.00 C ATOM 564 CG LEU A 39 1.982 -14.057 -1.501 1.00 0.00 C ATOM 565 CD1 LEU A 39 2.806 -15.320 -1.245 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.789 -13.307 -0.180 1.00 0.00 C ATOM 0 H LEU A 39 3.471 -11.681 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 39 1.100 -13.279 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.451 -13.747 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.276 -12.389 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 39 1.010 -14.328 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.281 -15.960 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.949 -15.858 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.777 -15.044 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.262 -13.947 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.762 -13.036 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.205 -12.403 -0.356 1.00 0.00 H new ATOM 578 N GLY A 40 1.356 -10.477 -2.205 1.00 0.00 N ATOM 579 CA GLY A 40 0.522 -9.512 -1.435 1.00 0.00 C ATOM 580 C GLY A 40 -0.515 -8.869 -2.354 1.00 0.00 C ATOM 581 O GLY A 40 -1.632 -8.608 -1.958 1.00 0.00 O ATOM 0 H GLY A 40 2.337 -10.219 -2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.023 -10.025 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.155 -8.743 -0.993 1.00 0.00 H new ATOM 585 N LEU A 41 -0.149 -8.607 -3.575 1.00 0.00 N ATOM 586 CA LEU A 41 -1.109 -7.973 -4.519 1.00 0.00 C ATOM 587 C LEU A 41 -2.342 -8.858 -4.661 1.00 0.00 C ATOM 588 O LEU A 41 -3.460 -8.385 -4.670 1.00 0.00 O ATOM 589 CB LEU A 41 -0.431 -7.801 -5.880 1.00 0.00 C ATOM 590 CG LEU A 41 -1.361 -7.038 -6.835 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.549 -6.497 -8.013 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.464 -7.964 -7.366 1.00 0.00 C ATOM 0 H LEU A 41 0.774 -8.804 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.414 -6.998 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.508 -7.259 -5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.186 -8.777 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.822 -6.214 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.208 -5.955 -8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.224 -5.823 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.083 -7.326 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.113 -7.407 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.012 -8.798 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.051 -8.346 -6.531 1.00 0.00 H new ATOM 604 N LEU A 42 -2.153 -10.141 -4.759 1.00 0.00 N ATOM 605 CA LEU A 42 -3.328 -11.044 -4.888 1.00 0.00 C ATOM 606 C LEU A 42 -4.188 -10.905 -3.632 1.00 0.00 C ATOM 607 O LEU A 42 -5.397 -10.805 -3.700 1.00 0.00 O ATOM 608 CB LEU A 42 -2.848 -12.492 -5.028 1.00 0.00 C ATOM 609 CG LEU A 42 -4.039 -13.411 -5.301 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.333 -13.424 -6.798 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.705 -14.830 -4.836 1.00 0.00 C ATOM 0 H LEU A 42 -1.243 -10.602 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.911 -10.777 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.125 -12.568 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.337 -12.805 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.912 -13.048 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.182 -14.078 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.568 -12.413 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.459 -13.790 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.554 -15.486 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.833 -15.195 -5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.490 -14.822 -3.767 1.00 0.00 H new ATOM 623 N LYS A 43 -3.567 -10.886 -2.484 1.00 0.00 N ATOM 624 CA LYS A 43 -4.335 -10.741 -1.219 1.00 0.00 C ATOM 625 C LYS A 43 -4.907 -9.324 -1.116 1.00 0.00 C ATOM 626 O LYS A 43 -6.009 -9.119 -0.645 1.00 0.00 O ATOM 627 CB LYS A 43 -3.406 -11.004 -0.037 1.00 0.00 C ATOM 628 CG LYS A 43 -2.935 -12.459 -0.070 1.00 0.00 C ATOM 629 CD LYS A 43 -2.097 -12.752 1.176 1.00 0.00 C ATOM 630 CE LYS A 43 -1.525 -14.169 1.086 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.859 -14.352 -0.235 1.00 0.00 N ATOM 0 H LYS A 43 -2.557 -10.965 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.157 -11.457 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.549 -10.332 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.925 -10.800 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.793 -13.130 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.346 -12.641 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.288 -12.027 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.711 -12.652 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.810 -14.336 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.322 -14.903 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.058 -15.007 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.541 -14.743 -0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.514 -13.434 -0.580 1.00 0.00 H new ATOM 645 N VAL A 44 -4.157 -8.342 -1.539 1.00 0.00 N ATOM 646 CA VAL A 44 -4.641 -6.933 -1.454 1.00 0.00 C ATOM 647 C VAL A 44 -5.870 -6.738 -2.342 1.00 0.00 C ATOM 648 O VAL A 44 -6.846 -6.134 -1.943 1.00 0.00 O ATOM 649 CB VAL A 44 -3.528 -5.993 -1.918 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.068 -4.564 -2.012 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.377 -6.038 -0.912 1.00 0.00 C ATOM 0 H VAL A 44 -3.227 -8.455 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.913 -6.712 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.171 -6.308 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.273 -3.896 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.890 -4.532 -2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.426 -4.245 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.581 -5.369 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.737 -5.722 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.991 -7.055 -0.846 1.00 0.00 H new ATOM 661 N ILE A 45 -5.831 -7.238 -3.543 1.00 0.00 N ATOM 662 CA ILE A 45 -6.994 -7.077 -4.456 1.00 0.00 C ATOM 663 C ILE A 45 -8.228 -7.740 -3.842 1.00 0.00 C ATOM 664 O ILE A 45 -9.311 -7.188 -3.850 1.00 0.00 O ATOM 665 CB ILE A 45 -6.665 -7.731 -5.802 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.118 -6.675 -6.766 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.926 -8.358 -6.398 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.008 -5.870 -6.086 1.00 0.00 C ATOM 0 H ILE A 45 -5.042 -7.753 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.202 -6.017 -4.606 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.916 -8.507 -5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.731 -7.156 -7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.921 -6.009 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.685 -8.821 -7.355 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.313 -9.115 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.680 -7.586 -6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.625 -5.121 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.408 -5.375 -5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.200 -6.540 -5.793 1.00 0.00 H new ATOM 680 N ALA A 46 -8.075 -8.921 -3.315 1.00 0.00 N ATOM 681 CA ALA A 46 -9.239 -9.626 -2.708 1.00 0.00 C ATOM 682 C ALA A 46 -9.750 -8.848 -1.492 1.00 0.00 C ATOM 683 O ALA A 46 -10.939 -8.710 -1.286 1.00 0.00 O ATOM 684 CB ALA A 46 -8.802 -11.022 -2.265 1.00 0.00 C ATOM 0 H ALA A 46 -7.192 -9.431 -3.278 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.038 -9.700 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.649 -11.544 -1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.444 -11.582 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.001 -10.937 -1.530 1.00 0.00 H new ATOM 690 N TRP A 47 -8.860 -8.344 -0.681 1.00 0.00 N ATOM 691 CA TRP A 47 -9.294 -7.584 0.525 1.00 0.00 C ATOM 692 C TRP A 47 -9.762 -6.185 0.124 1.00 0.00 C ATOM 693 O TRP A 47 -10.764 -5.695 0.605 1.00 0.00 O ATOM 694 CB TRP A 47 -8.121 -7.480 1.500 1.00 0.00 C ATOM 695 CG TRP A 47 -8.204 -6.195 2.258 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.897 -6.007 3.405 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.577 -4.920 1.945 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.733 -4.695 3.815 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.926 -3.985 2.946 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.747 -4.492 0.897 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.465 -2.669 2.908 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.280 -3.169 0.854 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.638 -2.260 1.857 1.00 0.00 C ATOM 0 H TRP A 47 -7.851 -8.426 -0.802 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.123 -8.105 1.003 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.136 -8.322 2.192 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.178 -7.531 0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.482 -6.757 3.916 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.156 -4.301 4.655 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.466 -5.185 0.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.744 -1.972 3.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.641 -2.851 0.043 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.276 -1.243 1.819 1.00 0.00 H new ATOM 714 N LEU A 48 -9.041 -5.532 -0.744 1.00 0.00 N ATOM 715 CA LEU A 48 -9.442 -4.160 -1.161 1.00 0.00 C ATOM 716 C LEU A 48 -10.852 -4.193 -1.751 1.00 0.00 C ATOM 717 O LEU A 48 -11.681 -3.359 -1.445 1.00 0.00 O ATOM 718 CB LEU A 48 -8.456 -3.654 -2.216 1.00 0.00 C ATOM 719 CG LEU A 48 -8.744 -2.195 -2.548 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.065 -1.305 -1.514 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.194 -1.876 -3.939 1.00 0.00 C ATOM 0 H LEU A 48 -8.192 -5.889 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.433 -3.495 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.435 -3.756 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.533 -4.262 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.819 -2.017 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.267 -0.259 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.452 -1.539 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.989 -1.480 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.398 -0.833 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.118 -2.048 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.674 -2.520 -4.676 1.00 0.00 H new ATOM 733 N GLU A 49 -11.136 -5.151 -2.587 1.00 0.00 N ATOM 734 CA GLU A 49 -12.498 -5.231 -3.181 1.00 0.00 C ATOM 735 C GLU A 49 -13.512 -5.506 -2.071 1.00 0.00 C ATOM 736 O GLU A 49 -14.610 -4.984 -2.074 1.00 0.00 O ATOM 737 CB GLU A 49 -12.524 -6.353 -4.234 1.00 0.00 C ATOM 738 CG GLU A 49 -13.936 -6.926 -4.380 1.00 0.00 C ATOM 739 CD GLU A 49 -13.964 -7.920 -5.541 1.00 0.00 C ATOM 740 OE1 GLU A 49 -15.038 -8.409 -5.852 1.00 0.00 O ATOM 741 OE2 GLU A 49 -12.911 -8.177 -6.101 1.00 0.00 O ATOM 0 H GLU A 49 -10.487 -5.879 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.757 -4.290 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.182 -5.966 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.833 -7.145 -3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.237 -7.420 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.650 -6.122 -4.558 1.00 0.00 H new ATOM 748 N ASP A 50 -13.152 -6.321 -1.123 1.00 0.00 N ATOM 749 CA ASP A 50 -14.088 -6.637 -0.009 1.00 0.00 C ATOM 750 C ASP A 50 -14.247 -5.430 0.921 1.00 0.00 C ATOM 751 O ASP A 50 -15.343 -5.051 1.282 1.00 0.00 O ATOM 752 CB ASP A 50 -13.526 -7.810 0.789 1.00 0.00 C ATOM 753 CG ASP A 50 -14.561 -8.275 1.816 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.232 -9.142 2.608 1.00 0.00 O ATOM 755 OD2 ASP A 50 -15.665 -7.756 1.792 1.00 0.00 O ATOM 0 H ASP A 50 -12.245 -6.785 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.063 -6.890 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.271 -8.630 0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.607 -7.513 1.293 1.00 0.00 H new ATOM 760 N ARG A 51 -13.158 -4.845 1.332 1.00 0.00 N ATOM 761 CA ARG A 51 -13.234 -3.682 2.266 1.00 0.00 C ATOM 762 C ARG A 51 -13.974 -2.502 1.626 1.00 0.00 C ATOM 763 O ARG A 51 -14.765 -1.842 2.270 1.00 0.00 O ATOM 764 CB ARG A 51 -11.820 -3.243 2.651 1.00 0.00 C ATOM 765 CG ARG A 51 -11.902 -2.117 3.683 1.00 0.00 C ATOM 766 CD ARG A 51 -10.491 -1.686 4.086 1.00 0.00 C ATOM 767 NE ARG A 51 -10.577 -0.639 5.145 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.614 -0.503 6.016 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.695 0.418 6.938 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.569 -1.285 5.969 1.00 0.00 N ATOM 0 H ARG A 51 -12.214 -5.121 1.062 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.786 -3.994 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.264 -4.087 3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.279 -2.903 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.448 -1.269 3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.455 -2.454 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.927 -2.544 4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.955 -1.299 3.219 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.392 -0.027 5.189 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.510 1.030 6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.943 0.525 7.619 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.503 -2.005 5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.819 -1.175 6.651 1.00 0.00 H new ATOM 784 N PHE A 52 -13.715 -2.209 0.379 1.00 0.00 N ATOM 785 CA PHE A 52 -14.396 -1.054 -0.262 1.00 0.00 C ATOM 786 C PHE A 52 -15.547 -1.538 -1.144 1.00 0.00 C ATOM 787 O PHE A 52 -16.310 -0.750 -1.668 1.00 0.00 O ATOM 788 CB PHE A 52 -13.382 -0.298 -1.117 1.00 0.00 C ATOM 789 CG PHE A 52 -12.304 0.276 -0.229 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.499 1.513 0.398 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.111 -0.427 -0.032 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.500 2.045 1.221 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.112 0.105 0.792 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.306 1.342 1.418 1.00 0.00 C ATOM 0 H PHE A 52 -13.064 -2.719 -0.218 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.800 -0.399 0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.941 -0.968 -1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.878 0.501 -1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.420 2.056 0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.960 -1.381 -0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.651 2.999 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.192 -0.439 0.945 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.535 1.753 2.052 1.00 0.00 H new ATOM 804 N GLY A 53 -15.686 -2.822 -1.317 1.00 0.00 N ATOM 805 CA GLY A 53 -16.793 -3.333 -2.171 1.00 0.00 C ATOM 806 C GLY A 53 -16.541 -2.918 -3.621 1.00 0.00 C ATOM 807 O GLY A 53 -17.461 -2.745 -4.397 1.00 0.00 O ATOM 0 H GLY A 53 -15.085 -3.536 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.855 -4.419 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.748 -2.935 -1.827 1.00 0.00 H new ATOM 811 N ILE A 54 -15.302 -2.752 -3.992 1.00 0.00 N ATOM 812 CA ILE A 54 -14.988 -2.342 -5.390 1.00 0.00 C ATOM 813 C ILE A 54 -14.533 -3.566 -6.182 1.00 0.00 C ATOM 814 O ILE A 54 -13.768 -4.372 -5.703 1.00 0.00 O ATOM 815 CB ILE A 54 -13.862 -1.307 -5.369 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.265 -0.137 -4.471 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.609 -0.794 -6.788 1.00 0.00 C ATOM 818 CD1 ILE A 54 -13.041 0.742 -4.206 1.00 0.00 C ATOM 0 H ILE A 54 -14.492 -2.883 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.874 -1.912 -5.856 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.953 -1.769 -4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.051 0.448 -4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.671 -0.509 -3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.806 -0.057 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.323 -1.627 -7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.517 -0.332 -7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.325 1.577 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.269 0.152 -3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.656 1.124 -5.151 1.00 0.00 H new ATOM 830 N ALA A 55 -14.996 -3.714 -7.392 1.00 0.00 N ATOM 831 CA ALA A 55 -14.583 -4.895 -8.199 1.00 0.00 C ATOM 832 C ALA A 55 -13.070 -4.860 -8.407 1.00 0.00 C ATOM 833 O ALA A 55 -12.482 -3.813 -8.593 1.00 0.00 O ATOM 834 CB ALA A 55 -15.286 -4.858 -9.557 1.00 0.00 C ATOM 0 H ALA A 55 -15.639 -3.072 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.859 -5.810 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.983 -5.723 -10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.366 -4.880 -9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.011 -3.945 -10.084 1.00 0.00 H new ATOM 840 N ALA A 56 -12.432 -5.998 -8.370 1.00 0.00 N ATOM 841 CA ALA A 56 -10.956 -6.030 -8.559 1.00 0.00 C ATOM 842 C ALA A 56 -10.607 -5.470 -9.940 1.00 0.00 C ATOM 843 O ALA A 56 -9.612 -4.795 -10.118 1.00 0.00 O ATOM 844 CB ALA A 56 -10.461 -7.473 -8.456 1.00 0.00 C ATOM 0 H ALA A 56 -12.870 -6.906 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.478 -5.425 -7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.380 -7.498 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.710 -7.874 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.939 -8.078 -9.227 1.00 0.00 H new ATOM 850 N ASP A 57 -11.423 -5.750 -10.920 1.00 0.00 N ATOM 851 CA ASP A 57 -11.152 -5.245 -12.297 1.00 0.00 C ATOM 852 C ASP A 57 -11.146 -3.714 -12.303 1.00 0.00 C ATOM 853 O ASP A 57 -10.425 -3.090 -13.054 1.00 0.00 O ATOM 854 CB ASP A 57 -12.237 -5.751 -13.246 1.00 0.00 C ATOM 855 CG ASP A 57 -12.120 -7.270 -13.392 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.040 -7.866 -13.928 1.00 0.00 O ATOM 857 OD2 ASP A 57 -11.113 -7.811 -12.966 1.00 0.00 O ATOM 0 H ASP A 57 -12.270 -6.310 -10.826 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.177 -5.607 -12.624 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.223 -5.487 -12.863 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.135 -5.272 -14.220 1.00 0.00 H new ATOM 862 N ASP A 58 -11.952 -3.105 -11.478 1.00 0.00 N ATOM 863 CA ASP A 58 -12.001 -1.615 -11.444 1.00 0.00 C ATOM 864 C ASP A 58 -10.585 -1.052 -11.311 1.00 0.00 C ATOM 865 O ASP A 58 -10.270 -0.009 -11.850 1.00 0.00 O ATOM 866 CB ASP A 58 -12.846 -1.159 -10.257 1.00 0.00 C ATOM 867 CG ASP A 58 -14.311 -1.524 -10.505 1.00 0.00 C ATOM 868 OD1 ASP A 58 -15.094 -1.414 -9.575 1.00 0.00 O ATOM 869 OD2 ASP A 58 -14.626 -1.906 -11.619 1.00 0.00 O ATOM 0 H ASP A 58 -12.580 -3.574 -10.825 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.446 -1.249 -12.369 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.492 -1.633 -9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.747 -0.082 -10.118 1.00 0.00 H new ATOM 874 N VAL A 59 -9.729 -1.729 -10.599 1.00 0.00 N ATOM 875 CA VAL A 59 -8.335 -1.225 -10.436 1.00 0.00 C ATOM 876 C VAL A 59 -7.401 -1.994 -11.372 1.00 0.00 C ATOM 877 O VAL A 59 -7.478 -3.201 -11.490 1.00 0.00 O ATOM 878 CB VAL A 59 -7.886 -1.428 -8.990 1.00 0.00 C ATOM 879 CG1 VAL A 59 -6.493 -0.827 -8.798 1.00 0.00 C ATOM 880 CG2 VAL A 59 -8.874 -0.735 -8.049 1.00 0.00 C ATOM 0 H VAL A 59 -9.932 -2.608 -10.123 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.302 -0.164 -10.682 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.855 -2.494 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.173 -0.972 -7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.789 -1.319 -9.469 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.523 0.239 -9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.555 -0.879 -7.017 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.904 0.331 -8.274 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.867 -1.163 -8.185 1.00 0.00 H new ATOM 890 N GLU A 60 -6.518 -1.303 -12.043 1.00 0.00 N ATOM 891 CA GLU A 60 -5.581 -1.993 -12.974 1.00 0.00 C ATOM 892 C GLU A 60 -4.320 -2.405 -12.215 1.00 0.00 C ATOM 893 O GLU A 60 -3.839 -1.694 -11.356 1.00 0.00 O ATOM 894 CB GLU A 60 -5.203 -1.048 -14.115 1.00 0.00 C ATOM 895 CG GLU A 60 -4.346 -1.796 -15.130 1.00 0.00 C ATOM 896 CD GLU A 60 -3.890 -0.832 -16.226 1.00 0.00 C ATOM 897 OE1 GLU A 60 -4.226 0.338 -16.137 1.00 0.00 O ATOM 898 OE2 GLU A 60 -3.214 -1.279 -17.138 1.00 0.00 O ATOM 0 H GLU A 60 -6.406 -0.291 -11.986 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.065 -2.879 -13.384 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.102 -0.663 -14.596 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.657 -0.189 -13.725 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.480 -2.236 -14.636 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.915 -2.617 -15.567 1.00 0.00 H new ATOM 905 N LEU A 61 -3.786 -3.556 -12.519 1.00 0.00 N ATOM 906 CA LEU A 61 -2.562 -4.019 -11.810 1.00 0.00 C ATOM 907 C LEU A 61 -1.325 -3.696 -12.650 1.00 0.00 C ATOM 908 O LEU A 61 -1.291 -3.937 -13.841 1.00 0.00 O ATOM 909 CB LEU A 61 -2.653 -5.530 -11.596 1.00 0.00 C ATOM 910 CG LEU A 61 -3.997 -5.871 -10.957 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.053 -7.366 -10.642 1.00 0.00 C ATOM 912 CD2 LEU A 61 -4.165 -5.067 -9.665 1.00 0.00 C ATOM 0 H LEU A 61 -4.145 -4.195 -13.228 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.482 -3.513 -10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.548 -6.050 -12.548 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.838 -5.868 -10.956 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.801 -5.620 -11.649 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.014 -7.606 -10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.936 -7.937 -11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.249 -7.623 -9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.124 -5.309 -9.208 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.360 -5.317 -8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.130 -4.002 -9.892 1.00 0.00 H new ATOM 924 N SER A 62 -0.304 -3.160 -12.039 1.00 0.00 N ATOM 925 CA SER A 62 0.933 -2.830 -12.801 1.00 0.00 C ATOM 926 C SER A 62 2.071 -2.539 -11.815 1.00 0.00 C ATOM 927 O SER A 62 1.839 -2.121 -10.699 1.00 0.00 O ATOM 928 CB SER A 62 0.683 -1.596 -13.669 1.00 0.00 C ATOM 929 OG SER A 62 1.090 -1.872 -15.004 1.00 0.00 O ATOM 0 H SER A 62 -0.273 -2.936 -11.044 1.00 0.00 H new ATOM 0 HA SER A 62 1.206 -3.671 -13.438 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.373 -1.329 -13.646 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.236 -0.743 -13.277 1.00 0.00 H new ATOM 0 HG SER A 62 0.930 -1.084 -15.564 1.00 0.00 H new ATOM 935 N PRO A 63 3.295 -2.757 -12.226 1.00 0.00 N ATOM 936 CA PRO A 63 4.486 -2.509 -11.363 1.00 0.00 C ATOM 937 C PRO A 63 4.610 -1.035 -10.968 1.00 0.00 C ATOM 938 O PRO A 63 5.139 -0.700 -9.926 1.00 0.00 O ATOM 939 CB PRO A 63 5.677 -2.934 -12.229 1.00 0.00 C ATOM 940 CG PRO A 63 5.172 -2.965 -13.633 1.00 0.00 C ATOM 941 CD PRO A 63 3.677 -3.256 -13.554 1.00 0.00 C ATOM 0 HA PRO A 63 4.423 -3.059 -10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.504 -2.232 -12.127 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.050 -3.912 -11.927 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.355 -2.013 -14.131 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.686 -3.732 -14.212 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.128 -2.747 -14.346 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.470 -4.321 -13.656 1.00 0.00 H new ATOM 949 N GLU A 64 4.122 -0.153 -11.796 1.00 0.00 N ATOM 950 CA GLU A 64 4.203 1.301 -11.479 1.00 0.00 C ATOM 951 C GLU A 64 3.359 1.603 -10.240 1.00 0.00 C ATOM 952 O GLU A 64 3.643 2.515 -9.490 1.00 0.00 O ATOM 953 CB GLU A 64 3.681 2.111 -12.664 1.00 0.00 C ATOM 954 CG GLU A 64 4.594 1.904 -13.867 1.00 0.00 C ATOM 955 CD GLU A 64 4.112 2.772 -15.031 1.00 0.00 C ATOM 956 OE1 GLU A 64 4.825 2.852 -16.018 1.00 0.00 O ATOM 957 OE2 GLU A 64 3.039 3.341 -14.916 1.00 0.00 O ATOM 0 H GLU A 64 3.669 -0.377 -12.682 1.00 0.00 H new ATOM 0 HA GLU A 64 5.241 1.572 -11.284 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.665 1.802 -12.909 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.639 3.169 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.620 2.164 -13.607 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.595 0.854 -14.159 1.00 0.00 H new ATOM 964 N HIS A 65 2.319 0.847 -10.025 1.00 0.00 N ATOM 965 CA HIS A 65 1.449 1.090 -8.841 1.00 0.00 C ATOM 966 C HIS A 65 2.218 0.765 -7.559 1.00 0.00 C ATOM 967 O HIS A 65 1.940 1.301 -6.504 1.00 0.00 O ATOM 968 CB HIS A 65 0.213 0.192 -8.932 1.00 0.00 C ATOM 969 CG HIS A 65 -0.659 0.408 -7.725 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.340 1.598 -7.505 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.973 -0.407 -6.665 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.022 1.466 -6.352 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.832 0.265 -5.804 1.00 0.00 N ATOM 0 H HIS A 65 2.033 0.069 -10.620 1.00 0.00 H new ATOM 0 HA HIS A 65 1.145 2.137 -8.823 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.345 0.416 -9.841 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.515 -0.854 -8.993 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.326 2.421 -8.107 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.609 -1.414 -6.523 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.646 2.237 -5.924 1.00 0.00 H new ATOM 982 N PHE A 66 3.175 -0.115 -7.639 1.00 0.00 N ATOM 983 CA PHE A 66 3.954 -0.485 -6.424 1.00 0.00 C ATOM 984 C PHE A 66 5.327 0.190 -6.452 1.00 0.00 C ATOM 985 O PHE A 66 6.172 -0.075 -5.621 1.00 0.00 O ATOM 986 CB PHE A 66 4.126 -2.004 -6.390 1.00 0.00 C ATOM 987 CG PHE A 66 2.772 -2.646 -6.217 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.991 -2.944 -7.340 1.00 0.00 C ATOM 989 CD2 PHE A 66 2.294 -2.938 -4.934 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.731 -3.534 -7.179 1.00 0.00 C ATOM 991 CE2 PHE A 66 1.037 -3.529 -4.774 1.00 0.00 C ATOM 992 CZ PHE A 66 0.255 -3.826 -5.895 1.00 0.00 C ATOM 0 H PHE A 66 3.453 -0.596 -8.495 1.00 0.00 H new ATOM 0 HA PHE A 66 3.420 -0.152 -5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.593 -2.351 -7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.786 -2.290 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.360 -2.719 -8.330 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.896 -2.707 -4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.127 -3.764 -8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.670 -3.756 -3.784 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.717 -4.281 -5.770 1.00 0.00 H new ATOM 1002 N ARG A 67 5.563 1.055 -7.398 1.00 0.00 N ATOM 1003 CA ARG A 67 6.889 1.733 -7.466 1.00 0.00 C ATOM 1004 C ARG A 67 7.156 2.489 -6.160 1.00 0.00 C ATOM 1005 O ARG A 67 8.254 2.473 -5.641 1.00 0.00 O ATOM 1006 CB ARG A 67 6.900 2.711 -8.649 1.00 0.00 C ATOM 1007 CG ARG A 67 8.245 3.447 -8.736 1.00 0.00 C ATOM 1008 CD ARG A 67 9.360 2.476 -9.141 1.00 0.00 C ATOM 1009 NE ARG A 67 10.580 3.250 -9.504 1.00 0.00 N ATOM 1010 CZ ARG A 67 11.591 2.648 -10.066 1.00 0.00 C ATOM 1011 NH1 ARG A 67 12.659 3.326 -10.384 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.534 1.367 -10.309 1.00 0.00 N ATOM 0 H ARG A 67 4.899 1.322 -8.125 1.00 0.00 H new ATOM 0 HA ARG A 67 7.671 0.987 -7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.716 2.169 -9.577 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.092 3.434 -8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.177 4.257 -9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.481 3.901 -7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.579 1.794 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.038 1.866 -9.985 1.00 0.00 H new ATOM 0 HE ARG A 67 10.625 4.251 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.703 4.327 -10.193 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.450 2.855 -10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.699 0.837 -10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.325 0.896 -10.749 1.00 0.00 H new ATOM 1026 N SER A 68 6.168 3.155 -5.621 1.00 0.00 N ATOM 1027 CA SER A 68 6.391 3.906 -4.352 1.00 0.00 C ATOM 1028 C SER A 68 5.074 4.042 -3.582 1.00 0.00 C ATOM 1029 O SER A 68 4.001 3.938 -4.142 1.00 0.00 O ATOM 1030 CB SER A 68 6.935 5.297 -4.675 1.00 0.00 C ATOM 1031 OG SER A 68 5.911 6.073 -5.282 1.00 0.00 O ATOM 0 H SER A 68 5.223 3.211 -6.002 1.00 0.00 H new ATOM 0 HA SER A 68 7.108 3.362 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.284 5.784 -3.764 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.792 5.218 -5.344 1.00 0.00 H new ATOM 0 HG SER A 68 6.257 6.966 -5.489 1.00 0.00 H new ATOM 1037 N ILE A 69 5.151 4.281 -2.300 1.00 0.00 N ATOM 1038 CA ILE A 69 3.919 4.434 -1.485 1.00 0.00 C ATOM 1039 C ILE A 69 3.120 5.646 -1.972 1.00 0.00 C ATOM 1040 O ILE A 69 1.906 5.639 -1.981 1.00 0.00 O ATOM 1041 CB ILE A 69 4.317 4.644 -0.024 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.024 3.393 0.501 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.067 4.907 0.807 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.528 3.656 0.596 1.00 0.00 C ATOM 0 H ILE A 69 6.024 4.377 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 69 3.304 3.539 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 69 4.991 5.497 0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.629 3.124 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.833 2.550 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.348 5.057 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.564 5.799 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.394 4.053 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.030 2.764 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.917 3.904 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.710 4.487 1.277 1.00 0.00 H new ATOM 1056 N ARG A 70 3.794 6.693 -2.363 1.00 0.00 N ATOM 1057 CA ARG A 70 3.077 7.912 -2.836 1.00 0.00 C ATOM 1058 C ARG A 70 2.220 7.581 -4.060 1.00 0.00 C ATOM 1059 O ARG A 70 1.106 8.048 -4.189 1.00 0.00 O ATOM 1060 CB ARG A 70 4.096 8.987 -3.207 1.00 0.00 C ATOM 1061 CG ARG A 70 3.361 10.277 -3.572 1.00 0.00 C ATOM 1062 CD ARG A 70 2.648 10.838 -2.340 1.00 0.00 C ATOM 1063 NE ARG A 70 1.192 10.538 -2.431 1.00 0.00 N ATOM 1064 CZ ARG A 70 0.323 11.318 -1.847 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -0.952 11.053 -1.937 1.00 0.00 N ATOM 1066 NH2 ARG A 70 0.725 12.360 -1.175 1.00 0.00 N ATOM 0 H ARG A 70 4.812 6.757 -2.375 1.00 0.00 H new ATOM 0 HA ARG A 70 2.430 8.275 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.774 9.165 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.705 8.652 -4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.068 11.011 -3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.638 10.082 -4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.065 10.399 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.805 11.915 -2.274 1.00 0.00 H new ATOM 0 HE ARG A 70 0.873 9.721 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.268 10.238 -2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.633 11.661 -1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.721 12.568 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.044 12.967 -0.720 1.00 0.00 H new ATOM 1080 N SER A 71 2.726 6.786 -4.962 1.00 0.00 N ATOM 1081 CA SER A 71 1.930 6.446 -6.171 1.00 0.00 C ATOM 1082 C SER A 71 0.632 5.750 -5.755 1.00 0.00 C ATOM 1083 O SER A 71 -0.432 6.048 -6.259 1.00 0.00 O ATOM 1084 CB SER A 71 2.747 5.511 -7.060 1.00 0.00 C ATOM 1085 OG SER A 71 4.009 6.107 -7.332 1.00 0.00 O ATOM 0 H SER A 71 3.651 6.360 -4.914 1.00 0.00 H new ATOM 0 HA SER A 71 1.688 7.358 -6.718 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.885 4.549 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.214 5.318 -7.991 1.00 0.00 H new ATOM 0 HG SER A 71 4.599 5.991 -6.558 1.00 0.00 H new ATOM 1091 N ILE A 72 0.710 4.828 -4.834 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.511 4.114 -4.382 1.00 0.00 C ATOM 1093 C ILE A 72 -1.448 5.091 -3.667 1.00 0.00 C ATOM 1094 O ILE A 72 -2.652 5.036 -3.820 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.104 3.000 -3.420 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.827 2.022 -4.139 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.349 2.261 -2.945 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.349 0.986 -3.141 1.00 0.00 C ATOM 0 H ILE A 72 1.574 4.539 -4.375 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.029 3.691 -5.243 1.00 0.00 H new ATOM 0 HB ILE A 72 0.413 3.430 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.294 1.525 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.661 2.561 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.060 1.465 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.013 2.958 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.866 1.830 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.012 0.289 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.897 1.491 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.510 0.439 -2.712 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.903 5.977 -2.881 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.759 6.952 -2.147 1.00 0.00 C ATOM 1112 C ASP A 73 -2.595 7.761 -3.141 1.00 0.00 C ATOM 1113 O ASP A 73 -3.743 8.069 -2.890 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.871 7.901 -1.339 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.744 8.752 -0.415 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -1.204 9.639 0.226 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -2.937 8.503 -0.364 1.00 0.00 O ATOM 0 H ASP A 73 0.099 6.069 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.425 6.410 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.150 7.331 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.300 8.542 -2.010 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.030 8.115 -4.262 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.801 8.912 -5.258 1.00 0.00 C ATOM 1124 C ALA A 74 -3.961 8.080 -5.802 1.00 0.00 C ATOM 1125 O ALA A 74 -5.081 8.544 -5.892 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.880 9.320 -6.410 1.00 0.00 C ATOM 0 H ALA A 74 -1.073 7.888 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.196 9.805 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.444 9.903 -7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.058 9.921 -6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.481 8.427 -6.891 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.710 6.853 -6.162 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.807 6.002 -6.693 1.00 0.00 C ATOM 1134 C PHE A 75 -5.819 5.732 -5.579 1.00 0.00 C ATOM 1135 O PHE A 75 -7.015 5.765 -5.789 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.232 4.677 -7.194 1.00 0.00 C ATOM 1137 CG PHE A 75 -3.388 4.923 -8.421 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -2.001 4.749 -8.363 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -3.993 5.331 -9.617 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -1.217 4.981 -9.500 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -3.210 5.562 -10.754 1.00 0.00 C ATOM 1142 CZ PHE A 75 -1.822 5.387 -10.695 1.00 0.00 C ATOM 0 H PHE A 75 -2.795 6.405 -6.111 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.300 6.515 -7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.630 4.212 -6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.040 3.984 -7.429 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.535 4.436 -7.441 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.063 5.467 -9.662 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.146 4.847 -9.455 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.676 5.875 -11.676 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.218 5.565 -11.572 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.345 5.467 -4.392 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.267 5.196 -3.263 1.00 0.00 C ATOM 1154 C VAL A 76 -7.084 6.452 -2.951 1.00 0.00 C ATOM 1155 O VAL A 76 -8.272 6.385 -2.712 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.443 4.802 -2.039 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.355 4.716 -0.820 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.790 3.439 -2.282 1.00 0.00 C ATOM 0 H VAL A 76 -4.353 5.427 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.948 4.387 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.670 5.551 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.768 4.435 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.823 5.685 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.127 3.967 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.202 3.157 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.563 2.691 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.139 3.498 -3.155 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.456 7.598 -2.951 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.194 8.852 -2.653 1.00 0.00 C ATOM 1170 C VAL A 77 -8.262 9.091 -3.722 1.00 0.00 C ATOM 1171 O VAL A 77 -9.370 9.495 -3.430 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.206 10.017 -2.651 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.974 11.329 -2.546 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.259 9.883 -1.457 1.00 0.00 C ATOM 0 H VAL A 77 -5.462 7.716 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.677 8.771 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.627 10.005 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.272 12.163 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.649 11.425 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.552 11.339 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.554 10.715 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.836 9.895 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.711 8.943 -1.531 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.931 8.851 -4.959 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.916 9.070 -6.055 1.00 0.00 C ATOM 1186 C GLY A 78 -10.163 8.208 -5.830 1.00 0.00 C ATOM 1187 O GLY A 78 -11.252 8.569 -6.229 1.00 0.00 O ATOM 0 H GLY A 78 -7.018 8.511 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.196 10.123 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.463 8.823 -7.015 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.015 7.068 -5.210 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.200 6.190 -4.987 1.00 0.00 C ATOM 1193 C ALA A 79 -11.710 6.345 -3.554 1.00 0.00 C ATOM 1194 O ALA A 79 -12.890 6.516 -3.321 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.803 4.733 -5.229 1.00 0.00 C ATOM 0 H ALA A 79 -9.131 6.708 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.992 6.479 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.667 4.089 -5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.451 4.617 -6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.007 4.453 -4.539 1.00 0.00 H new ATOM 1201 N THR A 80 -10.835 6.283 -2.592 1.00 0.00 N ATOM 1202 CA THR A 80 -11.279 6.424 -1.176 1.00 0.00 C ATOM 1203 C THR A 80 -10.228 7.198 -0.380 1.00 0.00 C ATOM 1204 O THR A 80 -9.065 7.223 -0.726 1.00 0.00 O ATOM 1205 CB THR A 80 -11.471 5.034 -0.563 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.193 5.151 0.654 1.00 0.00 O ATOM 1207 CG2 THR A 80 -10.107 4.398 -0.292 1.00 0.00 C ATOM 0 H THR A 80 -9.833 6.141 -2.722 1.00 0.00 H new ATOM 0 HA THR A 80 -12.223 6.968 -1.144 1.00 0.00 H new ATOM 0 HB THR A 80 -12.028 4.405 -1.257 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.721 4.338 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.247 3.409 0.144 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.556 4.307 -1.228 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.545 5.024 0.401 1.00 0.00 H new ATOM 1215 N THR A 81 -10.630 7.827 0.688 1.00 0.00 N ATOM 1216 CA THR A 81 -9.658 8.597 1.508 1.00 0.00 C ATOM 1217 C THR A 81 -9.961 8.373 2.997 1.00 0.00 C ATOM 1218 O THR A 81 -10.735 9.097 3.591 1.00 0.00 O ATOM 1219 CB THR A 81 -9.787 10.084 1.171 1.00 0.00 C ATOM 1220 OG1 THR A 81 -8.806 10.819 1.888 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.183 10.578 1.555 1.00 0.00 C ATOM 0 H THR A 81 -11.592 7.841 1.028 1.00 0.00 H new ATOM 0 HA THR A 81 -8.643 8.263 1.294 1.00 0.00 H new ATOM 0 HB THR A 81 -9.636 10.228 0.101 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.887 11.771 1.671 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.273 11.637 1.314 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.934 10.015 1.000 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.338 10.434 2.624 1.00 0.00 H new ATOM 1229 N PRO A 82 -9.360 7.372 3.595 1.00 0.00 N ATOM 1230 CA PRO A 82 -9.579 7.051 5.037 1.00 0.00 C ATOM 1231 C PRO A 82 -9.135 8.194 5.960 1.00 0.00 C ATOM 1232 O PRO A 82 -8.700 9.232 5.502 1.00 0.00 O ATOM 1233 CB PRO A 82 -8.726 5.802 5.290 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.346 5.271 3.945 1.00 0.00 C ATOM 1235 CD PRO A 82 -8.414 6.441 2.968 1.00 0.00 C ATOM 0 HA PRO A 82 -10.637 6.896 5.249 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.840 6.049 5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -9.285 5.058 5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.343 4.845 3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.024 4.474 3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.436 6.901 2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.761 6.121 1.985 1.00 0.00 H new ATOM 1243 N PRO A 83 -9.247 8.004 7.252 1.00 0.00 N ATOM 1244 CA PRO A 83 -8.851 9.038 8.255 1.00 0.00 C ATOM 1245 C PRO A 83 -7.375 9.421 8.128 1.00 0.00 C ATOM 1246 O PRO A 83 -6.552 8.627 7.716 1.00 0.00 O ATOM 1247 CB PRO A 83 -9.111 8.373 9.610 1.00 0.00 C ATOM 1248 CG PRO A 83 -10.028 7.226 9.335 1.00 0.00 C ATOM 1249 CD PRO A 83 -9.761 6.787 7.898 1.00 0.00 C ATOM 0 HA PRO A 83 -9.411 9.963 8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.180 8.029 10.061 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.564 9.076 10.309 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.843 6.407 10.031 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.069 7.523 9.462 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.036 5.974 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.669 6.429 7.413 1.00 0.00 H new ATOM 1257 N VAL A 84 -7.032 10.632 8.472 1.00 0.00 N ATOM 1258 CA VAL A 84 -5.610 11.060 8.362 1.00 0.00 C ATOM 1259 C VAL A 84 -4.956 11.028 9.746 1.00 0.00 C ATOM 1260 O VAL A 84 -5.472 11.574 10.701 1.00 0.00 O ATOM 1261 CB VAL A 84 -5.551 12.484 7.807 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -4.095 12.871 7.540 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -6.348 12.554 6.502 1.00 0.00 C ATOM 0 H VAL A 84 -7.674 11.342 8.824 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.078 10.383 7.693 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.980 13.175 8.533 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.055 13.886 7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.529 12.821 8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.662 12.182 6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.307 13.568 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.920 11.863 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.386 12.281 6.694 1.00 0.00 H new ATOM 1273 N GLU A 85 -3.821 10.394 9.857 1.00 0.00 N ATOM 1274 CA GLU A 85 -3.127 10.326 11.171 1.00 0.00 C ATOM 1275 C GLU A 85 -1.631 10.580 10.969 1.00 0.00 C ATOM 1276 O GLU A 85 -1.086 10.317 9.915 1.00 0.00 O ATOM 1277 CB GLU A 85 -3.331 8.940 11.788 1.00 0.00 C ATOM 1278 CG GLU A 85 -4.826 8.692 11.999 1.00 0.00 C ATOM 1279 CD GLU A 85 -5.027 7.338 12.683 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -4.059 6.605 12.796 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -6.146 7.057 13.079 1.00 0.00 O ATOM 0 H GLU A 85 -3.344 9.919 9.091 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.539 11.083 11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.913 8.174 11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.802 8.872 12.739 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.255 9.487 12.609 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.347 8.709 11.042 1.00 0.00 H new ATOM 1288 N ALA A 86 -0.961 11.084 11.968 1.00 0.00 N ATOM 1289 CA ALA A 86 0.499 11.346 11.825 1.00 0.00 C ATOM 1290 C ALA A 86 1.240 10.017 11.665 1.00 0.00 C ATOM 1291 O ALA A 86 0.897 9.028 12.282 1.00 0.00 O ATOM 1292 CB ALA A 86 1.012 12.070 13.072 1.00 0.00 C ATOM 0 H ALA A 86 -1.360 11.325 12.875 1.00 0.00 H new ATOM 0 HA ALA A 86 0.673 11.968 10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.080 12.262 12.968 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.483 13.016 13.187 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.839 11.448 13.951 1.00 0.00 H new ATOM 1298 N LYS A 87 2.253 9.984 10.843 1.00 0.00 N ATOM 1299 CA LYS A 87 3.011 8.716 10.649 1.00 0.00 C ATOM 1300 C LYS A 87 3.570 8.246 11.993 1.00 0.00 C ATOM 1301 O LYS A 87 3.611 7.066 12.281 1.00 0.00 O ATOM 1302 CB LYS A 87 4.166 8.951 9.671 1.00 0.00 C ATOM 1303 CG LYS A 87 4.863 7.621 9.376 1.00 0.00 C ATOM 1304 CD LYS A 87 6.056 7.863 8.448 1.00 0.00 C ATOM 1305 CE LYS A 87 6.679 6.521 8.057 1.00 0.00 C ATOM 1306 NZ LYS A 87 7.250 5.869 9.269 1.00 0.00 N ATOM 0 H LYS A 87 2.588 10.779 10.298 1.00 0.00 H new ATOM 0 HA LYS A 87 2.344 7.955 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.790 9.390 8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.877 9.660 10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.199 7.161 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.163 6.927 8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.733 8.400 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.797 8.489 8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.926 5.876 7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.459 6.673 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.271 5.723 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.092 6.477 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.786 4.951 9.420 1.00 0.00 H new ATOM 1320 N LEU A 88 4.002 9.159 12.819 1.00 0.00 N ATOM 1321 CA LEU A 88 4.557 8.764 14.144 1.00 0.00 C ATOM 1322 C LEU A 88 3.491 8.007 14.937 1.00 0.00 C ATOM 1323 O LEU A 88 3.788 7.089 15.676 1.00 0.00 O ATOM 1324 CB LEU A 88 4.973 10.018 14.918 1.00 0.00 C ATOM 1325 CG LEU A 88 5.980 10.822 14.093 1.00 0.00 C ATOM 1326 CD1 LEU A 88 6.458 12.027 14.904 1.00 0.00 C ATOM 1327 CD2 LEU A 88 7.181 9.937 13.748 1.00 0.00 C ATOM 0 H LEU A 88 3.995 10.162 12.633 1.00 0.00 H new ATOM 0 HA LEU A 88 5.426 8.123 13.997 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.097 10.629 15.137 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.414 9.737 15.875 1.00 0.00 H new ATOM 0 HG LEU A 88 5.503 11.165 13.175 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.175 12.600 14.316 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.606 12.659 15.153 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.934 11.682 15.822 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.898 10.510 13.160 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.656 9.594 14.667 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.844 9.076 13.171 1.00 0.00 H new ATOM 1339 N GLN A 89 2.250 8.383 14.790 1.00 0.00 N ATOM 1340 CA GLN A 89 1.166 7.685 15.536 1.00 0.00 C ATOM 1341 C GLN A 89 1.501 7.673 17.029 1.00 0.00 C ATOM 1342 O GLN A 89 1.792 8.733 17.559 1.00 0.00 O ATOM 1343 CB GLN A 89 1.043 6.246 15.030 1.00 0.00 C ATOM 1344 CG GLN A 89 0.634 6.257 13.556 1.00 0.00 C ATOM 1345 CD GLN A 89 0.398 4.822 13.081 1.00 0.00 C ATOM 1346 OE1 GLN A 89 0.601 3.831 13.907 1.00 0.00 O flip ATOM 1347 NE2 GLN A 89 0.025 4.598 11.946 1.00 0.00 N flip ATOM 1348 OXT GLN A 89 1.458 6.605 17.617 1.00 0.00 O ATOM 0 H GLN A 89 1.940 9.144 14.185 1.00 0.00 H new ATOM 0 HA GLN A 89 0.222 8.207 15.379 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.992 5.724 15.151 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.304 5.704 15.620 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.272 6.849 13.423 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.413 6.727 12.955 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.134 5.371 11.300 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.129 3.637 11.640 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 3.979 -7.328 -13.699 1.00 0.00 O HETATM 1359 O4 PN7 A 101 0.746 -8.326 -12.804 1.00 0.00 O HETATM 1360 C2 PN7 A 101 3.524 -7.688 -11.364 1.00 0.00 C HETATM 1361 C1 PN7 A 101 4.561 -8.706 -10.878 1.00 0.00 C HETATM 1362 P PN7 A 101 4.708 -10.389 -9.092 1.00 0.00 P HETATM 1363 O1P PN7 A 101 4.678 -9.320 -8.070 1.00 0.00 O HETATM 1364 O2P PN7 A 101 6.005 -10.929 -9.555 1.00 0.00 O HETATM 1365 O3P PN7 A 101 3.890 -9.870 -10.381 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 4.127 -6.281 -11.313 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 2.289 -7.744 -10.463 1.00 0.00 C HETATM 1368 C3 PN7 A 101 3.122 -8.019 -12.801 1.00 0.00 C HETATM 1369 C4 PN7 A 101 1.678 -7.584 -13.046 1.00 0.00 C HETATM 1370 N5 PN7 A 101 1.486 -6.415 -13.593 1.00 0.00 N HETATM 1371 C6 PN7 A 101 0.609 -6.288 -14.791 1.00 0.00 C HETATM 1372 C7 PN7 A 101 0.865 -7.463 -15.737 1.00 0.00 C HETATM 1373 C8 PN7 A 101 0.349 -7.115 -17.135 1.00 0.00 C HETATM 1374 O8 PN7 A 101 -0.212 -7.945 -17.823 1.00 0.00 O HETATM 1375 N9 PN7 A 101 0.565 -5.906 -17.573 1.00 0.00 N HETATM 1376 C10 PN7 A 101 -0.305 -5.334 -18.640 1.00 0.00 C HETATM 1377 C11 PN7 A 101 -1.345 -4.409 -18.007 1.00 0.00 C HETATM 1378 S12 PN7 A 101 -1.239 -2.771 -18.771 1.00 0.00 S