USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 972 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 CYS SG : rot -8:sc= -4.74! USER MOD Set 1.2: A 131 TYR OH : rot -167:sc= 0.526 USER MOD Set 2.1: A 113 THR OG1 : rot 180:sc= 0.00869 USER MOD Set 2.2: A 116 GLN : amide:sc= -0.471 K(o=-0.46,f=0.23) USER MOD Set 3.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 103 GLN : amide:sc= -0.566 K(o=-0.44,f=0.16) USER MOD Set 3.3: A 105 THR OG1 : rot 180:sc= 0.123 USER MOD Set 4.1: A 41 SER OG : rot 68:sc= 0.505 USER MOD Set 4.2: A 53 HIS : no HD1:sc= 0.187 K(o=0.69,f=-1.9) USER MOD Set 5.1: A 39 THR OG1 : rot 175:sc= 0.139 USER MOD Set 5.2: A 54 HIS : no HE2:sc= 0.133 K(o=0.27,f=-1) USER MOD Set 6.1: A 30 ASN : amide:sc= 1.02 X(o=2.2,f=2.6) USER MOD Set 6.2: A 38 THR OG1 : rot 152:sc= 1.21 USER MOD Single : A 1 MET CE :methyl -132:sc= 0 (180deg=-1.49!) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.579 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0292) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 11 GLN : amide:sc= -2.33 K(o=-2.3,f=-5.4!) USER MOD Single : A 21 ASN : amide:sc= -2.15 K(o=-2.2,f=-0.18) USER MOD Single : A 33 SER OG : rot -126:sc= 0.221 USER MOD Single : A 34 SER OG : rot -30:sc= 0.0423 USER MOD Single : A 37 HIS : no HE2:sc= -0.627 K(o=-0.63,f=-3!) USER MOD Single : A 52 CYS SG : rot 9:sc= -2.06! USER MOD Single : A 55 MET CE :methyl -131:sc= -0.808 (180deg=-1.61) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 170:sc= 0.448 USER MOD Single : A 71 THR OG1 : rot -21:sc= 0.222 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 80 SER OG : rot 33:sc= 0.79 USER MOD Single : A 83 MET CE :methyl -178:sc= -0.613 (180deg=-0.624) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 76:sc= 0.434 USER MOD Single : A 117 GLN : amide:sc= -0.0495 K(o=-0.049,f=-6.3!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 122 GLN : amide:sc= 0.0793 K(o=0.079,f=-0.88) USER MOD Single : A 127 ASN : amide:sc= 0.0305 K(o=0.03,f=-4.1!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.135 16.907 3.804 1.00 0.00 N ATOM 2 CA MET A 1 5.645 16.323 5.073 1.00 0.00 C ATOM 3 C MET A 1 5.362 14.833 4.877 1.00 0.00 C ATOM 4 O MET A 1 4.368 14.467 4.246 1.00 0.00 O ATOM 5 CB MET A 1 4.357 17.051 5.556 1.00 0.00 C ATOM 6 CG MET A 1 3.698 16.443 6.809 1.00 0.00 C ATOM 7 SD MET A 1 2.166 17.277 7.258 1.00 0.00 S ATOM 8 CE MET A 1 1.624 16.316 8.675 1.00 0.00 C ATOM 0 H1 MET A 1 7.073 17.331 3.956 1.00 0.00 H new ATOM 0 H2 MET A 1 6.205 16.161 3.083 1.00 0.00 H new ATOM 0 H3 MET A 1 5.472 17.640 3.480 1.00 0.00 H new ATOM 0 HA MET A 1 6.414 16.449 5.835 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.602 18.093 5.762 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.630 17.049 4.744 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.494 15.387 6.632 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.396 16.497 7.645 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.571 16.059 8.559 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.215 15.403 8.743 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.756 16.902 9.584 1.00 0.00 H new ATOM 20 N LYS A 2 6.232 13.971 5.421 1.00 0.00 N ATOM 21 CA LYS A 2 6.035 12.521 5.350 1.00 0.00 C ATOM 22 C LYS A 2 5.210 12.068 6.566 1.00 0.00 C ATOM 23 O LYS A 2 5.684 12.064 7.707 1.00 0.00 O ATOM 24 CB LYS A 2 7.395 11.771 5.234 1.00 0.00 C ATOM 25 CG LYS A 2 8.448 12.125 6.309 1.00 0.00 C ATOM 26 CD LYS A 2 9.793 11.408 6.077 1.00 0.00 C ATOM 27 CE LYS A 2 10.846 11.756 7.143 1.00 0.00 C ATOM 28 NZ LYS A 2 10.449 11.305 8.505 1.00 0.00 N ATOM 0 H LYS A 2 7.078 14.255 5.915 1.00 0.00 H new ATOM 0 HA LYS A 2 5.479 12.269 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.203 10.699 5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.821 11.978 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.610 13.203 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.062 11.857 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.629 10.330 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.177 11.676 5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.797 11.295 6.874 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.006 12.834 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.227 11.487 9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.603 11.826 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.240 10.286 8.486 1.00 0.00 H new ATOM 42 N ILE A 3 3.953 11.717 6.295 1.00 0.00 N ATOM 43 CA ILE A 3 2.995 11.282 7.311 1.00 0.00 C ATOM 44 C ILE A 3 3.172 9.778 7.556 1.00 0.00 C ATOM 45 O ILE A 3 3.072 8.976 6.620 1.00 0.00 O ATOM 46 CB ILE A 3 1.519 11.569 6.854 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.348 13.069 6.435 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.508 11.174 7.964 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.005 13.410 5.833 1.00 0.00 C ATOM 0 H ILE A 3 3.567 11.727 5.351 1.00 0.00 H new ATOM 0 HA ILE A 3 3.183 11.838 8.229 1.00 0.00 H new ATOM 0 HB ILE A 3 1.307 10.953 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.509 13.697 7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.125 13.322 5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.506 11.382 7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.606 10.111 8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.714 11.751 8.866 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.032 14.468 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.165 12.812 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.790 13.194 6.557 1.00 0.00 H new ATOM 61 N SER A 4 3.441 9.409 8.812 1.00 0.00 N ATOM 62 CA SER A 4 3.634 8.015 9.220 1.00 0.00 C ATOM 63 C SER A 4 2.324 7.471 9.810 1.00 0.00 C ATOM 64 O SER A 4 1.861 7.949 10.850 1.00 0.00 O ATOM 65 CB SER A 4 4.771 7.937 10.256 1.00 0.00 C ATOM 66 OG SER A 4 5.932 8.578 9.760 1.00 0.00 O ATOM 0 H SER A 4 3.532 10.075 9.580 1.00 0.00 H new ATOM 0 HA SER A 4 3.907 7.408 8.357 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.457 8.408 11.187 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.993 6.895 10.485 1.00 0.00 H new ATOM 0 HG SER A 4 6.647 8.523 10.428 1.00 0.00 H new ATOM 72 N ILE A 5 1.725 6.505 9.110 1.00 0.00 N ATOM 73 CA ILE A 5 0.549 5.746 9.567 1.00 0.00 C ATOM 74 C ILE A 5 0.959 4.279 9.739 1.00 0.00 C ATOM 75 O ILE A 5 1.922 3.826 9.119 1.00 0.00 O ATOM 76 CB ILE A 5 -0.637 5.832 8.535 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.211 5.239 7.150 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.137 7.292 8.391 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.310 5.138 6.123 1.00 0.00 C ATOM 0 H ILE A 5 2.049 6.219 8.186 1.00 0.00 H new ATOM 0 HA ILE A 5 0.204 6.173 10.509 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.465 5.233 8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.590 5.855 6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.204 4.244 7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.956 7.327 7.673 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.486 7.654 9.358 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.320 7.923 8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.909 4.715 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.104 4.495 6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.712 6.131 5.922 1.00 0.00 H new ATOM 91 N GLU A 6 0.217 3.531 10.554 1.00 0.00 N ATOM 92 CA GLU A 6 0.557 2.144 10.890 1.00 0.00 C ATOM 93 C GLU A 6 -0.701 1.282 11.019 1.00 0.00 C ATOM 94 O GLU A 6 -1.809 1.800 11.183 1.00 0.00 O ATOM 95 CB GLU A 6 1.381 2.118 12.202 1.00 0.00 C ATOM 96 CG GLU A 6 0.663 2.749 13.421 1.00 0.00 C ATOM 97 CD GLU A 6 1.497 2.709 14.705 1.00 0.00 C ATOM 98 OE1 GLU A 6 1.707 1.608 15.249 1.00 0.00 O ATOM 99 OE2 GLU A 6 1.945 3.777 15.187 1.00 0.00 O ATOM 0 H GLU A 6 -0.636 3.866 11.001 1.00 0.00 H new ATOM 0 HA GLU A 6 1.157 1.724 10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.632 1.084 12.439 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.321 2.644 12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.414 3.785 13.190 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.278 2.225 13.591 1.00 0.00 H new ATOM 106 N ALA A 7 -0.487 -0.033 10.937 1.00 0.00 N ATOM 107 CA ALA A 7 -1.524 -1.060 11.070 1.00 0.00 C ATOM 108 C ALA A 7 -0.833 -2.401 11.347 1.00 0.00 C ATOM 109 O ALA A 7 -0.079 -2.884 10.497 1.00 0.00 O ATOM 110 CB ALA A 7 -2.379 -1.139 9.790 1.00 0.00 C ATOM 0 H ALA A 7 0.440 -0.425 10.771 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.194 -0.810 11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.143 -1.907 9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.858 -0.176 9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.742 -1.390 8.942 1.00 0.00 H new ATOM 116 N HIS A 8 -1.074 -3.008 12.522 1.00 0.00 N ATOM 117 CA HIS A 8 -0.406 -4.267 12.901 1.00 0.00 C ATOM 118 C HIS A 8 -1.430 -5.411 12.799 1.00 0.00 C ATOM 119 O HIS A 8 -2.573 -5.273 13.246 1.00 0.00 O ATOM 120 CB HIS A 8 0.257 -4.182 14.307 1.00 0.00 C ATOM 121 CG HIS A 8 -0.678 -4.235 15.483 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.712 -5.295 16.364 1.00 0.00 N ATOM 123 CD2 HIS A 8 -1.601 -3.357 15.928 1.00 0.00 C ATOM 124 CE1 HIS A 8 -1.614 -5.068 17.288 1.00 0.00 C ATOM 125 NE2 HIS A 8 -2.167 -3.904 17.050 1.00 0.00 N ATOM 0 H HIS A 8 -1.723 -2.650 13.223 1.00 0.00 H new ATOM 0 HA HIS A 8 0.416 -4.463 12.213 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.971 -5.000 14.400 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.826 -3.254 14.363 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.847 -2.404 15.484 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.860 -5.728 18.107 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.902 -3.473 17.611 1.00 0.00 H new ATOM 134 N ILE A 9 -1.012 -6.517 12.176 1.00 0.00 N ATOM 135 CA ILE A 9 -1.884 -7.639 11.796 1.00 0.00 C ATOM 136 C ILE A 9 -1.440 -8.886 12.565 1.00 0.00 C ATOM 137 O ILE A 9 -0.277 -9.274 12.449 1.00 0.00 O ATOM 138 CB ILE A 9 -1.760 -7.919 10.243 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.982 -6.611 9.421 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.740 -9.030 9.794 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.817 -6.762 7.923 1.00 0.00 C ATOM 0 H ILE A 9 -0.037 -6.663 11.915 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.919 -7.393 12.033 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.747 -8.272 10.048 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.985 -6.237 9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.282 -5.854 9.774 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.631 -9.200 8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.517 -9.951 10.332 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.763 -8.722 10.011 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.991 -5.801 7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.806 -7.103 7.701 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.536 -7.491 7.549 1.00 0.00 H new ATOM 153 N GLU A 10 -2.352 -9.522 13.330 1.00 0.00 N ATOM 154 CA GLU A 10 -2.040 -10.747 14.102 1.00 0.00 C ATOM 155 C GLU A 10 -1.983 -11.956 13.148 1.00 0.00 C ATOM 156 O GLU A 10 -2.882 -12.795 13.113 1.00 0.00 O ATOM 157 CB GLU A 10 -3.066 -10.959 15.272 1.00 0.00 C ATOM 158 CG GLU A 10 -2.743 -10.185 16.576 1.00 0.00 C ATOM 159 CD GLU A 10 -2.589 -8.665 16.387 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.610 -7.955 16.312 1.00 0.00 O ATOM 161 OE2 GLU A 10 -1.446 -8.174 16.312 1.00 0.00 O ATOM 0 H GLU A 10 -3.317 -9.206 13.431 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.062 -10.638 14.570 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.055 -10.660 14.926 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.117 -12.023 15.502 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.535 -10.371 17.301 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.821 -10.582 17.002 1.00 0.00 H new ATOM 168 N GLN A 11 -0.899 -11.997 12.371 1.00 0.00 N ATOM 169 CA GLN A 11 -0.695 -12.975 11.303 1.00 0.00 C ATOM 170 C GLN A 11 0.791 -12.992 10.905 1.00 0.00 C ATOM 171 O GLN A 11 1.528 -12.037 11.202 1.00 0.00 O ATOM 172 CB GLN A 11 -1.615 -12.625 10.090 1.00 0.00 C ATOM 173 CG GLN A 11 -1.711 -13.684 8.971 1.00 0.00 C ATOM 174 CD GLN A 11 -2.341 -15.030 9.388 1.00 0.00 C ATOM 175 OE1 GLN A 11 -2.221 -15.492 10.526 1.00 0.00 O ATOM 176 NE2 GLN A 11 -3.042 -15.665 8.464 1.00 0.00 N ATOM 0 H GLN A 11 -0.125 -11.340 12.469 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.964 -13.973 11.648 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.620 -12.435 10.467 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.259 -11.694 9.649 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.294 -13.268 8.149 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.709 -13.874 8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.130 -15.268 7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.494 -16.552 8.687 1.00 0.00 H new ATOM 185 N GLU A 12 1.218 -14.084 10.247 1.00 0.00 N ATOM 186 CA GLU A 12 2.604 -14.278 9.775 1.00 0.00 C ATOM 187 C GLU A 12 2.988 -13.199 8.764 1.00 0.00 C ATOM 188 O GLU A 12 2.173 -12.854 7.912 1.00 0.00 O ATOM 189 CB GLU A 12 2.724 -15.680 9.114 1.00 0.00 C ATOM 190 CG GLU A 12 2.331 -16.847 10.036 1.00 0.00 C ATOM 191 CD GLU A 12 2.231 -18.188 9.307 1.00 0.00 C ATOM 192 OE1 GLU A 12 1.191 -18.437 8.659 1.00 0.00 O ATOM 193 OE2 GLU A 12 3.183 -18.992 9.357 1.00 0.00 O ATOM 0 H GLU A 12 0.604 -14.868 10.024 1.00 0.00 H new ATOM 0 HA GLU A 12 3.281 -14.207 10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.093 -15.706 8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.751 -15.825 8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.065 -16.931 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.372 -16.624 10.504 1.00 0.00 H new ATOM 200 N ILE A 13 4.237 -12.701 8.847 1.00 0.00 N ATOM 201 CA ILE A 13 4.771 -11.703 7.892 1.00 0.00 C ATOM 202 C ILE A 13 4.889 -12.311 6.476 1.00 0.00 C ATOM 203 O ILE A 13 4.929 -11.585 5.490 1.00 0.00 O ATOM 204 CB ILE A 13 6.149 -11.090 8.386 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.665 -9.964 7.420 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.222 -12.184 8.610 1.00 0.00 C ATOM 207 CD1 ILE A 13 7.934 -9.268 7.881 1.00 0.00 C ATOM 0 H ILE A 13 4.902 -12.975 9.571 1.00 0.00 H new ATOM 0 HA ILE A 13 4.062 -10.876 7.844 1.00 0.00 H new ATOM 0 HB ILE A 13 5.960 -10.625 9.353 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.842 -10.400 6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.880 -9.218 7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.149 -11.721 8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.872 -12.888 9.365 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.401 -12.715 7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.216 -8.507 7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.760 -8.798 8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.738 -9.999 7.971 1.00 0.00 H new ATOM 219 N GLU A 14 4.936 -13.661 6.392 1.00 0.00 N ATOM 220 CA GLU A 14 4.838 -14.384 5.105 1.00 0.00 C ATOM 221 C GLU A 14 3.460 -14.157 4.471 1.00 0.00 C ATOM 222 O GLU A 14 3.367 -13.872 3.281 1.00 0.00 O ATOM 223 CB GLU A 14 5.116 -15.900 5.293 1.00 0.00 C ATOM 224 CG GLU A 14 6.545 -16.222 5.754 1.00 0.00 C ATOM 225 CD GLU A 14 6.791 -17.725 5.936 1.00 0.00 C ATOM 226 OE1 GLU A 14 6.384 -18.288 6.973 1.00 0.00 O ATOM 227 OE2 GLU A 14 7.384 -18.358 5.035 1.00 0.00 O ATOM 0 H GLU A 14 5.041 -14.271 7.203 1.00 0.00 H new ATOM 0 HA GLU A 14 5.599 -13.988 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.411 -16.300 6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.925 -16.413 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.253 -15.829 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.741 -15.711 6.696 1.00 0.00 H new ATOM 234 N ALA A 15 2.408 -14.251 5.299 1.00 0.00 N ATOM 235 CA ALA A 15 1.004 -14.075 4.864 1.00 0.00 C ATOM 236 C ALA A 15 0.669 -12.594 4.601 1.00 0.00 C ATOM 237 O ALA A 15 -0.148 -12.287 3.733 1.00 0.00 O ATOM 238 CB ALA A 15 0.056 -14.661 5.922 1.00 0.00 C ATOM 0 H ALA A 15 2.502 -14.452 6.295 1.00 0.00 H new ATOM 0 HA ALA A 15 0.872 -14.609 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.976 -14.530 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.264 -15.723 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.207 -14.146 6.871 1.00 0.00 H new ATOM 244 N VAL A 16 1.296 -11.696 5.382 1.00 0.00 N ATOM 245 CA VAL A 16 1.111 -10.237 5.252 1.00 0.00 C ATOM 246 C VAL A 16 1.806 -9.723 3.971 1.00 0.00 C ATOM 247 O VAL A 16 1.196 -8.997 3.178 1.00 0.00 O ATOM 248 CB VAL A 16 1.637 -9.484 6.536 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.593 -7.950 6.366 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.836 -9.923 7.793 1.00 0.00 C ATOM 0 H VAL A 16 1.946 -11.960 6.122 1.00 0.00 H new ATOM 0 HA VAL A 16 0.045 -10.027 5.167 1.00 0.00 H new ATOM 0 HB VAL A 16 2.682 -9.763 6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.964 -7.473 7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.218 -7.659 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.566 -7.633 6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.213 -9.393 8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.219 -9.687 7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.951 -10.997 7.941 1.00 0.00 H new ATOM 260 N TRP A 17 3.079 -10.127 3.770 1.00 0.00 N ATOM 261 CA TRP A 17 3.842 -9.790 2.547 1.00 0.00 C ATOM 262 C TRP A 17 3.173 -10.421 1.315 1.00 0.00 C ATOM 263 O TRP A 17 3.124 -9.796 0.254 1.00 0.00 O ATOM 264 CB TRP A 17 5.329 -10.246 2.646 1.00 0.00 C ATOM 265 CG TRP A 17 6.152 -9.944 1.399 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.460 -10.808 0.381 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.744 -8.684 1.033 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.182 -10.164 -0.588 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.380 -8.866 -0.209 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.797 -7.423 1.634 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.056 -7.836 -0.860 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.472 -6.404 0.990 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.094 -6.615 -0.248 1.00 0.00 C ATOM 0 H TRP A 17 3.602 -10.689 4.441 1.00 0.00 H new ATOM 0 HA TRP A 17 3.838 -8.705 2.444 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.793 -9.757 3.503 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.358 -11.319 2.837 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.174 -11.849 0.348 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.518 -10.585 -1.454 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.318 -7.248 2.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.533 -7.997 -1.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.521 -5.428 1.449 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.613 -5.798 -0.727 1.00 0.00 H new ATOM 284 N TRP A 18 2.654 -11.659 1.476 1.00 0.00 N ATOM 285 CA TRP A 18 1.923 -12.369 0.409 1.00 0.00 C ATOM 286 C TRP A 18 0.708 -11.553 -0.023 1.00 0.00 C ATOM 287 O TRP A 18 0.557 -11.231 -1.201 1.00 0.00 O ATOM 288 CB TRP A 18 1.478 -13.782 0.861 1.00 0.00 C ATOM 289 CG TRP A 18 0.617 -14.508 -0.153 1.00 0.00 C ATOM 290 CD1 TRP A 18 1.020 -15.054 -1.341 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.796 -14.744 -0.069 1.00 0.00 C ATOM 292 NE1 TRP A 18 -0.051 -15.616 -1.989 1.00 0.00 N ATOM 293 CE2 TRP A 18 -1.174 -15.441 -1.229 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.774 -14.433 0.883 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -2.489 -15.833 -1.465 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -3.077 -14.822 0.647 1.00 0.00 C ATOM 297 CH2 TRP A 18 -3.425 -15.517 -0.517 1.00 0.00 C ATOM 0 H TRP A 18 2.731 -12.189 2.344 1.00 0.00 H new ATOM 0 HA TRP A 18 2.602 -12.489 -0.436 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.364 -14.383 1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.926 -13.696 1.797 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.033 -15.044 -1.714 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.015 -16.088 -2.892 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.514 -13.899 1.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.761 -16.367 -2.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.841 -14.586 1.373 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.453 -15.810 -0.671 1.00 0.00 H new ATOM 308 N ALA A 19 -0.128 -11.201 0.960 1.00 0.00 N ATOM 309 CA ALA A 19 -1.343 -10.420 0.726 1.00 0.00 C ATOM 310 C ALA A 19 -1.029 -9.079 0.046 1.00 0.00 C ATOM 311 O ALA A 19 -1.793 -8.614 -0.793 1.00 0.00 O ATOM 312 CB ALA A 19 -2.110 -10.214 2.035 1.00 0.00 C ATOM 0 H ALA A 19 0.020 -11.450 1.938 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.979 -10.985 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.010 -9.631 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.387 -11.183 2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.479 -9.681 2.746 1.00 0.00 H new ATOM 318 N TRP A 20 0.126 -8.493 0.405 1.00 0.00 N ATOM 319 CA TRP A 20 0.567 -7.201 -0.131 1.00 0.00 C ATOM 320 C TRP A 20 1.010 -7.324 -1.607 1.00 0.00 C ATOM 321 O TRP A 20 0.550 -6.561 -2.455 1.00 0.00 O ATOM 322 CB TRP A 20 1.719 -6.612 0.736 1.00 0.00 C ATOM 323 CG TRP A 20 2.086 -5.185 0.366 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.979 -4.774 -0.592 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.551 -3.979 0.944 1.00 0.00 C ATOM 326 NE1 TRP A 20 3.010 -3.404 -0.653 1.00 0.00 N ATOM 327 CE2 TRP A 20 2.151 -2.895 0.282 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.624 -3.716 1.951 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.848 -1.574 0.595 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.324 -2.404 2.269 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.933 -1.346 1.592 1.00 0.00 C ATOM 0 H TRP A 20 0.777 -8.904 1.074 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.283 -6.519 -0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.426 -6.643 1.785 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.601 -7.244 0.633 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.571 -5.434 -1.209 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.582 -2.853 -1.293 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.145 -4.528 2.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.317 -0.755 0.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.391 -2.195 3.051 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.680 -0.330 1.857 1.00 0.00 H new ATOM 342 N ASN A 21 1.913 -8.280 -1.905 1.00 0.00 N ATOM 343 CA ASN A 21 2.647 -8.299 -3.201 1.00 0.00 C ATOM 344 C ASN A 21 1.932 -9.124 -4.294 1.00 0.00 C ATOM 345 O ASN A 21 2.007 -8.767 -5.478 1.00 0.00 O ATOM 346 CB ASN A 21 4.120 -8.796 -3.020 1.00 0.00 C ATOM 347 CG ASN A 21 4.324 -10.324 -2.925 1.00 0.00 C ATOM 348 OD1 ASN A 21 5.285 -10.856 -3.473 1.00 0.00 O ATOM 349 ND2 ASN A 21 3.456 -11.038 -2.228 1.00 0.00 N ATOM 0 H ASN A 21 2.155 -9.046 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 21 2.665 -7.265 -3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.711 -8.424 -3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.525 -8.341 -2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.580 -12.047 -2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.663 -10.580 -1.779 1.00 0.00 H new ATOM 356 N ASP A 22 1.254 -10.222 -3.883 1.00 0.00 N ATOM 357 CA ASP A 22 0.636 -11.204 -4.807 1.00 0.00 C ATOM 358 C ASP A 22 -0.409 -10.507 -5.700 1.00 0.00 C ATOM 359 O ASP A 22 -1.339 -9.926 -5.161 1.00 0.00 O ATOM 360 CB ASP A 22 -0.015 -12.380 -4.018 1.00 0.00 C ATOM 361 CG ASP A 22 -0.757 -13.389 -4.917 1.00 0.00 C ATOM 362 OD1 ASP A 22 -0.085 -14.234 -5.549 1.00 0.00 O ATOM 363 OD2 ASP A 22 -2.003 -13.326 -5.013 1.00 0.00 O ATOM 0 H ASP A 22 1.120 -10.453 -2.899 1.00 0.00 H new ATOM 0 HA ASP A 22 1.419 -11.619 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.760 -12.905 -3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.715 -11.974 -3.288 1.00 0.00 H new ATOM 368 N PRO A 23 -0.251 -10.545 -7.065 1.00 0.00 N ATOM 369 CA PRO A 23 -1.099 -9.774 -8.011 1.00 0.00 C ATOM 370 C PRO A 23 -2.615 -9.991 -7.812 1.00 0.00 C ATOM 371 O PRO A 23 -3.391 -9.032 -7.813 1.00 0.00 O ATOM 372 CB PRO A 23 -0.632 -10.272 -9.400 1.00 0.00 C ATOM 373 CG PRO A 23 0.772 -10.734 -9.186 1.00 0.00 C ATOM 374 CD PRO A 23 0.782 -11.340 -7.801 1.00 0.00 C ATOM 0 HA PRO A 23 -0.979 -8.700 -7.867 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.264 -11.082 -9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.678 -9.475 -10.142 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.065 -11.466 -9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.475 -9.904 -9.258 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.531 -12.400 -7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.763 -11.255 -7.333 1.00 0.00 H new ATOM 382 N ASP A 24 -3.017 -11.255 -7.605 1.00 0.00 N ATOM 383 CA ASP A 24 -4.436 -11.622 -7.408 1.00 0.00 C ATOM 384 C ASP A 24 -4.983 -11.002 -6.112 1.00 0.00 C ATOM 385 O ASP A 24 -6.121 -10.513 -6.068 1.00 0.00 O ATOM 386 CB ASP A 24 -4.597 -13.165 -7.373 1.00 0.00 C ATOM 387 CG ASP A 24 -6.049 -13.616 -7.151 1.00 0.00 C ATOM 388 OD1 ASP A 24 -6.828 -13.646 -8.121 1.00 0.00 O ATOM 389 OD2 ASP A 24 -6.431 -13.902 -6.000 1.00 0.00 O ATOM 0 H ASP A 24 -2.377 -12.048 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.009 -11.229 -8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.233 -13.583 -8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.971 -13.571 -6.578 1.00 0.00 H new ATOM 394 N CYS A 25 -4.144 -11.035 -5.074 1.00 0.00 N ATOM 395 CA CYS A 25 -4.494 -10.557 -3.740 1.00 0.00 C ATOM 396 C CYS A 25 -4.582 -9.017 -3.709 1.00 0.00 C ATOM 397 O CYS A 25 -5.596 -8.452 -3.293 1.00 0.00 O ATOM 398 CB CYS A 25 -3.466 -11.079 -2.718 1.00 0.00 C ATOM 399 SG CYS A 25 -3.963 -10.843 -1.022 1.00 0.00 S ATOM 0 H CYS A 25 -3.193 -11.399 -5.140 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.478 -10.941 -3.473 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.298 -12.141 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.514 -10.574 -2.883 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.040 -10.116 -0.983 1.00 0.00 H new ATOM 405 N ILE A 26 -3.521 -8.342 -4.188 1.00 0.00 N ATOM 406 CA ILE A 26 -3.413 -6.869 -4.186 1.00 0.00 C ATOM 407 C ILE A 26 -4.501 -6.206 -5.051 1.00 0.00 C ATOM 408 O ILE A 26 -4.914 -5.079 -4.770 1.00 0.00 O ATOM 409 CB ILE A 26 -1.979 -6.416 -4.638 1.00 0.00 C ATOM 410 CG1 ILE A 26 -1.732 -4.893 -4.371 1.00 0.00 C ATOM 411 CG2 ILE A 26 -1.730 -6.756 -6.121 1.00 0.00 C ATOM 412 CD1 ILE A 26 -0.320 -4.425 -4.697 1.00 0.00 C ATOM 0 H ILE A 26 -2.707 -8.806 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.574 -6.534 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.265 -6.974 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.441 -4.312 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.941 -4.681 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.729 -6.431 -6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.817 -7.833 -6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.467 -6.245 -6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.232 -3.360 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.396 -4.977 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.112 -4.603 -5.752 1.00 0.00 H new ATOM 424 N ALA A 27 -4.973 -6.944 -6.076 1.00 0.00 N ATOM 425 CA ALA A 27 -6.042 -6.487 -6.979 1.00 0.00 C ATOM 426 C ALA A 27 -7.365 -6.244 -6.229 1.00 0.00 C ATOM 427 O ALA A 27 -8.062 -5.253 -6.479 1.00 0.00 O ATOM 428 CB ALA A 27 -6.247 -7.504 -8.115 1.00 0.00 C ATOM 0 H ALA A 27 -4.621 -7.875 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.730 -5.533 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.040 -7.156 -8.777 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.322 -7.608 -8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.525 -8.470 -7.693 1.00 0.00 H new ATOM 434 N ARG A 28 -7.684 -7.148 -5.291 1.00 0.00 N ATOM 435 CA ARG A 28 -9.006 -7.194 -4.632 1.00 0.00 C ATOM 436 C ARG A 28 -9.060 -6.349 -3.328 1.00 0.00 C ATOM 437 O ARG A 28 -10.153 -6.132 -2.783 1.00 0.00 O ATOM 438 CB ARG A 28 -9.417 -8.668 -4.390 1.00 0.00 C ATOM 439 CG ARG A 28 -8.453 -9.456 -3.489 1.00 0.00 C ATOM 440 CD ARG A 28 -8.811 -10.943 -3.376 1.00 0.00 C ATOM 441 NE ARG A 28 -8.647 -11.658 -4.659 1.00 0.00 N ATOM 442 CZ ARG A 28 -9.517 -12.536 -5.174 1.00 0.00 C ATOM 443 NH1 ARG A 28 -10.650 -12.824 -4.537 1.00 0.00 N ATOM 444 NH2 ARG A 28 -9.243 -13.135 -6.321 1.00 0.00 N ATOM 0 H ARG A 28 -7.038 -7.867 -4.966 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.732 -6.734 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.411 -8.687 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.491 -9.174 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.440 -9.362 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.452 -9.012 -2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.181 -11.410 -2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.842 -11.042 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.801 -11.467 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.863 -12.374 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.305 -13.494 -4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.372 -12.927 -6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.903 -13.805 -6.717 1.00 0.00 H new ATOM 458 N TRP A 29 -7.889 -5.871 -2.823 1.00 0.00 N ATOM 459 CA TRP A 29 -7.842 -4.808 -1.770 1.00 0.00 C ATOM 460 C TRP A 29 -7.256 -3.506 -2.379 1.00 0.00 C ATOM 461 O TRP A 29 -7.116 -3.421 -3.600 1.00 0.00 O ATOM 462 CB TRP A 29 -7.081 -5.261 -0.470 1.00 0.00 C ATOM 463 CG TRP A 29 -5.589 -5.507 -0.625 1.00 0.00 C ATOM 464 CD1 TRP A 29 -4.998 -6.679 -0.962 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.502 -4.572 -0.418 1.00 0.00 C ATOM 466 NE1 TRP A 29 -3.647 -6.525 -1.036 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.316 -5.253 -0.708 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.418 -3.230 -0.047 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.069 -4.645 -0.644 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.179 -2.625 0.029 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.019 -3.334 -0.274 1.00 0.00 C ATOM 0 H TRP A 29 -6.971 -6.199 -3.123 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.862 -4.612 -1.439 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.226 -4.500 0.296 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.544 -6.176 -0.102 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.524 -7.604 -1.146 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.985 -7.256 -1.298 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.313 -2.670 0.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.169 -5.193 -0.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.109 -1.589 0.327 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.063 -2.836 -0.215 1.00 0.00 H new ATOM 482 N ASN A 30 -6.975 -2.506 -1.501 1.00 0.00 N ATOM 483 CA ASN A 30 -6.505 -1.116 -1.826 1.00 0.00 C ATOM 484 C ASN A 30 -7.694 -0.187 -2.130 1.00 0.00 C ATOM 485 O ASN A 30 -7.532 1.044 -2.199 1.00 0.00 O ATOM 486 CB ASN A 30 -5.362 -1.049 -2.920 1.00 0.00 C ATOM 487 CG ASN A 30 -5.815 -0.533 -4.299 1.00 0.00 C ATOM 488 OD1 ASN A 30 -6.220 -1.300 -5.157 1.00 0.00 O ATOM 489 ND2 ASN A 30 -5.757 0.775 -4.507 1.00 0.00 N ATOM 0 H ASN A 30 -7.072 -2.646 -0.495 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.018 -0.742 -0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.563 -0.405 -2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.937 -2.045 -3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.055 1.163 -5.402 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.414 1.394 -3.772 1.00 0.00 H new ATOM 496 N ALA A 31 -8.887 -0.794 -2.271 1.00 0.00 N ATOM 497 CA ALA A 31 -10.135 -0.080 -2.504 1.00 0.00 C ATOM 498 C ALA A 31 -10.460 0.809 -1.296 1.00 0.00 C ATOM 499 O ALA A 31 -10.467 0.329 -0.158 1.00 0.00 O ATOM 500 CB ALA A 31 -11.259 -1.089 -2.749 1.00 0.00 C ATOM 0 H ALA A 31 -9.002 -1.806 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.035 0.557 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.194 -0.557 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.019 -1.696 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.366 -1.734 -1.877 1.00 0.00 H new ATOM 506 N ALA A 32 -10.710 2.101 -1.563 1.00 0.00 N ATOM 507 CA ALA A 32 -11.030 3.103 -0.525 1.00 0.00 C ATOM 508 C ALA A 32 -12.361 2.791 0.188 1.00 0.00 C ATOM 509 O ALA A 32 -12.569 3.190 1.335 1.00 0.00 O ATOM 510 CB ALA A 32 -11.050 4.504 -1.150 1.00 0.00 C ATOM 0 H ALA A 32 -10.697 2.485 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.252 3.064 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -11.286 5.241 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.072 4.726 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.806 4.542 -1.934 1.00 0.00 H new ATOM 516 N SER A 33 -13.237 2.048 -0.505 1.00 0.00 N ATOM 517 CA SER A 33 -14.537 1.587 0.023 1.00 0.00 C ATOM 518 C SER A 33 -15.034 0.405 -0.828 1.00 0.00 C ATOM 519 O SER A 33 -14.380 0.029 -1.808 1.00 0.00 O ATOM 520 CB SER A 33 -15.559 2.750 0.028 1.00 0.00 C ATOM 521 OG SER A 33 -16.787 2.369 0.618 1.00 0.00 O ATOM 0 H SER A 33 -13.063 1.744 -1.463 1.00 0.00 H new ATOM 0 HA SER A 33 -14.420 1.252 1.054 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.142 3.598 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.735 3.083 -0.995 1.00 0.00 H new ATOM 0 HG SER A 33 -17.522 2.567 0.001 1.00 0.00 H new ATOM 527 N SER A 34 -16.191 -0.177 -0.455 1.00 0.00 N ATOM 528 CA SER A 34 -16.842 -1.247 -1.248 1.00 0.00 C ATOM 529 C SER A 34 -17.418 -0.678 -2.568 1.00 0.00 C ATOM 530 O SER A 34 -17.732 -1.429 -3.499 1.00 0.00 O ATOM 531 CB SER A 34 -17.944 -1.945 -0.419 1.00 0.00 C ATOM 532 OG SER A 34 -18.415 -3.115 -1.066 1.00 0.00 O ATOM 0 H SER A 34 -16.698 0.075 0.393 1.00 0.00 H new ATOM 0 HA SER A 34 -16.088 -1.991 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.552 -2.204 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.774 -1.256 -0.261 1.00 0.00 H new ATOM 0 HG SER A 34 -18.337 -3.006 -2.037 1.00 0.00 H new ATOM 538 N ASP A 35 -17.572 0.659 -2.606 1.00 0.00 N ATOM 539 CA ASP A 35 -17.895 1.424 -3.828 1.00 0.00 C ATOM 540 C ASP A 35 -16.736 1.322 -4.829 1.00 0.00 C ATOM 541 O ASP A 35 -16.944 1.204 -6.032 1.00 0.00 O ATOM 542 CB ASP A 35 -18.123 2.920 -3.477 1.00 0.00 C ATOM 543 CG ASP A 35 -19.284 3.158 -2.502 1.00 0.00 C ATOM 544 OD1 ASP A 35 -19.108 2.917 -1.291 1.00 0.00 O ATOM 545 OD2 ASP A 35 -20.388 3.566 -2.934 1.00 0.00 O ATOM 0 H ASP A 35 -17.475 1.247 -1.778 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.802 1.009 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.208 3.325 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.313 3.474 -4.396 1.00 0.00 H new ATOM 550 N TRP A 36 -15.512 1.318 -4.289 1.00 0.00 N ATOM 551 CA TRP A 36 -14.274 1.438 -5.071 1.00 0.00 C ATOM 552 C TRP A 36 -13.703 0.052 -5.377 1.00 0.00 C ATOM 553 O TRP A 36 -13.901 -0.893 -4.613 1.00 0.00 O ATOM 554 CB TRP A 36 -13.248 2.315 -4.310 1.00 0.00 C ATOM 555 CG TRP A 36 -13.714 3.748 -4.150 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.586 4.234 -3.217 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.347 4.869 -4.962 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.783 5.575 -3.406 1.00 0.00 N ATOM 559 CE2 TRP A 36 -14.028 5.990 -4.464 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.506 5.031 -6.059 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -13.892 7.253 -5.027 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.372 6.281 -6.616 1.00 0.00 C ATOM 563 CH2 TRP A 36 -13.060 7.381 -6.098 1.00 0.00 C ATOM 0 H TRP A 36 -15.350 1.230 -3.286 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.496 1.924 -6.021 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -13.066 1.884 -3.326 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.298 2.303 -4.844 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -15.053 3.644 -2.442 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -15.395 6.168 -2.846 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.967 4.188 -6.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.427 8.103 -4.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.723 6.415 -7.469 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.930 8.351 -6.555 1.00 0.00 H new ATOM 574 N HIS A 37 -12.992 -0.043 -6.503 1.00 0.00 N ATOM 575 CA HIS A 37 -12.425 -1.296 -7.020 1.00 0.00 C ATOM 576 C HIS A 37 -11.419 -0.962 -8.131 1.00 0.00 C ATOM 577 O HIS A 37 -11.684 -0.090 -8.976 1.00 0.00 O ATOM 578 CB HIS A 37 -13.537 -2.241 -7.565 1.00 0.00 C ATOM 579 CG HIS A 37 -14.368 -1.656 -8.684 1.00 0.00 C ATOM 580 ND1 HIS A 37 -14.171 -1.964 -10.013 1.00 0.00 N ATOM 581 CD2 HIS A 37 -15.389 -0.765 -8.663 1.00 0.00 C ATOM 582 CE1 HIS A 37 -15.025 -1.289 -10.750 1.00 0.00 C ATOM 583 NE2 HIS A 37 -15.777 -0.552 -9.964 1.00 0.00 N ATOM 0 H HIS A 37 -12.789 0.763 -7.094 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.923 -1.819 -6.206 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.072 -3.161 -7.918 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.199 -2.513 -6.743 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.471 -2.615 -10.369 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.819 -0.306 -7.785 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.097 -1.333 -11.827 1.00 0.00 H new ATOM 592 N THR A 38 -10.271 -1.641 -8.120 1.00 0.00 N ATOM 593 CA THR A 38 -9.210 -1.426 -9.103 1.00 0.00 C ATOM 594 C THR A 38 -9.408 -2.334 -10.330 1.00 0.00 C ATOM 595 O THR A 38 -9.285 -3.555 -10.231 1.00 0.00 O ATOM 596 CB THR A 38 -7.813 -1.659 -8.466 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.603 -0.699 -7.419 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.682 -1.540 -9.492 1.00 0.00 C ATOM 0 H THR A 38 -10.051 -2.357 -7.427 1.00 0.00 H new ATOM 0 HA THR A 38 -9.263 -0.390 -9.436 1.00 0.00 H new ATOM 0 HB THR A 38 -7.796 -2.674 -8.069 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.994 -1.074 -6.749 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.725 -1.711 -9.000 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.824 -2.282 -10.277 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.692 -0.542 -9.930 1.00 0.00 H new ATOM 606 N THR A 39 -9.710 -1.712 -11.477 1.00 0.00 N ATOM 607 CA THR A 39 -9.946 -2.413 -12.748 1.00 0.00 C ATOM 608 C THR A 39 -8.632 -2.656 -13.514 1.00 0.00 C ATOM 609 O THR A 39 -8.490 -3.671 -14.208 1.00 0.00 O ATOM 610 CB THR A 39 -10.932 -1.591 -13.632 1.00 0.00 C ATOM 611 OG1 THR A 39 -10.469 -0.228 -13.737 1.00 0.00 O ATOM 612 CG2 THR A 39 -12.361 -1.615 -13.062 1.00 0.00 C ATOM 0 H THR A 39 -9.798 -0.699 -11.551 1.00 0.00 H new ATOM 0 HA THR A 39 -10.383 -3.385 -12.518 1.00 0.00 H new ATOM 0 HB THR A 39 -10.960 -2.050 -14.620 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.043 0.266 -14.359 1.00 0.00 H new ATOM 0 HG21 THR A 39 -13.019 -1.031 -13.705 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.717 -2.644 -13.016 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.360 -1.187 -12.060 1.00 0.00 H new ATOM 620 N GLY A 40 -7.676 -1.718 -13.383 1.00 0.00 N ATOM 621 CA GLY A 40 -6.384 -1.810 -14.065 1.00 0.00 C ATOM 622 C GLY A 40 -5.243 -1.960 -13.073 1.00 0.00 C ATOM 623 O GLY A 40 -4.591 -0.974 -12.719 1.00 0.00 O ATOM 0 H GLY A 40 -7.781 -0.884 -12.805 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.390 -2.661 -14.746 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.226 -0.918 -14.671 1.00 0.00 H new ATOM 627 N SER A 41 -5.016 -3.202 -12.603 1.00 0.00 N ATOM 628 CA SER A 41 -4.011 -3.502 -11.569 1.00 0.00 C ATOM 629 C SER A 41 -2.778 -4.207 -12.185 1.00 0.00 C ATOM 630 O SER A 41 -2.834 -5.394 -12.518 1.00 0.00 O ATOM 631 CB SER A 41 -4.646 -4.395 -10.475 1.00 0.00 C ATOM 632 OG SER A 41 -3.779 -4.547 -9.368 1.00 0.00 O ATOM 0 H SER A 41 -5.524 -4.023 -12.930 1.00 0.00 H new ATOM 0 HA SER A 41 -3.676 -2.565 -11.124 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.587 -3.955 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.881 -5.374 -10.893 1.00 0.00 H new ATOM 0 HG SER A 41 -3.690 -3.689 -8.902 1.00 0.00 H new ATOM 638 N ARG A 42 -1.692 -3.439 -12.365 1.00 0.00 N ATOM 639 CA ARG A 42 -0.342 -3.948 -12.683 1.00 0.00 C ATOM 640 C ARG A 42 0.535 -3.865 -11.419 1.00 0.00 C ATOM 641 O ARG A 42 0.397 -2.915 -10.638 1.00 0.00 O ATOM 642 CB ARG A 42 0.311 -3.096 -13.811 1.00 0.00 C ATOM 643 CG ARG A 42 -0.433 -3.102 -15.161 1.00 0.00 C ATOM 644 CD ARG A 42 -0.587 -4.509 -15.773 1.00 0.00 C ATOM 645 NE ARG A 42 0.709 -5.210 -15.931 1.00 0.00 N ATOM 646 CZ ARG A 42 0.865 -6.466 -16.392 1.00 0.00 C ATOM 647 NH1 ARG A 42 -0.183 -7.197 -16.752 1.00 0.00 N ATOM 648 NH2 ARG A 42 2.078 -6.999 -16.445 1.00 0.00 N ATOM 0 H ARG A 42 -1.726 -2.422 -12.292 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.424 -4.980 -13.023 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.391 -2.066 -13.464 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.326 -3.457 -13.974 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.422 -2.664 -15.024 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.103 -2.465 -15.865 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.243 -5.106 -15.140 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.071 -4.426 -16.746 1.00 0.00 H new ATOM 0 HE ARG A 42 1.552 -4.699 -15.669 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.124 -6.809 -16.682 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.047 -8.146 -17.099 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.886 -6.458 -16.138 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.203 -7.950 -16.793 1.00 0.00 H new ATOM 662 N VAL A 43 1.406 -4.876 -11.214 1.00 0.00 N ATOM 663 CA VAL A 43 2.422 -4.905 -10.131 1.00 0.00 C ATOM 664 C VAL A 43 3.708 -5.552 -10.676 1.00 0.00 C ATOM 665 O VAL A 43 3.729 -6.761 -10.909 1.00 0.00 O ATOM 666 CB VAL A 43 1.946 -5.720 -8.850 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.038 -5.742 -7.744 1.00 0.00 C ATOM 668 CG2 VAL A 43 0.618 -5.173 -8.299 1.00 0.00 C ATOM 0 H VAL A 43 1.426 -5.709 -11.803 1.00 0.00 H new ATOM 0 HA VAL A 43 2.589 -3.875 -9.817 1.00 0.00 H new ATOM 0 HB VAL A 43 1.779 -6.749 -9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.675 -6.308 -6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.941 -6.212 -8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.265 -4.721 -7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.321 -5.752 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.744 -4.128 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.154 -5.251 -9.065 1.00 0.00 H new ATOM 678 N ASP A 44 4.763 -4.752 -10.920 1.00 0.00 N ATOM 679 CA ASP A 44 6.083 -5.280 -11.312 1.00 0.00 C ATOM 680 C ASP A 44 7.064 -5.032 -10.160 1.00 0.00 C ATOM 681 O ASP A 44 7.746 -3.998 -10.112 1.00 0.00 O ATOM 682 CB ASP A 44 6.561 -4.636 -12.640 1.00 0.00 C ATOM 683 CG ASP A 44 7.828 -5.306 -13.205 1.00 0.00 C ATOM 684 OD1 ASP A 44 7.703 -6.307 -13.939 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.948 -4.845 -12.921 1.00 0.00 O ATOM 0 H ASP A 44 4.726 -3.735 -10.852 1.00 0.00 H new ATOM 0 HA ASP A 44 6.022 -6.353 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.762 -4.700 -13.378 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.758 -3.577 -12.475 1.00 0.00 H new ATOM 690 N LEU A 45 7.074 -5.977 -9.205 1.00 0.00 N ATOM 691 CA LEU A 45 7.843 -5.879 -7.961 1.00 0.00 C ATOM 692 C LEU A 45 9.332 -6.227 -8.197 1.00 0.00 C ATOM 693 O LEU A 45 9.752 -7.376 -8.008 1.00 0.00 O ATOM 694 CB LEU A 45 7.220 -6.812 -6.876 1.00 0.00 C ATOM 695 CG LEU A 45 7.901 -6.772 -5.470 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.695 -5.404 -4.789 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.427 -7.941 -4.575 1.00 0.00 C ATOM 0 H LEU A 45 6.539 -6.842 -9.280 1.00 0.00 H new ATOM 0 HA LEU A 45 7.798 -4.849 -7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.169 -6.548 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.251 -7.837 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 45 8.973 -6.901 -5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.180 -5.407 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.131 -4.620 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.629 -5.217 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.922 -7.881 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.348 -7.879 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.677 -8.889 -5.052 1.00 0.00 H new ATOM 709 N VAL A 46 10.090 -5.240 -8.701 1.00 0.00 N ATOM 710 CA VAL A 46 11.570 -5.267 -8.766 1.00 0.00 C ATOM 711 C VAL A 46 12.087 -3.856 -8.445 1.00 0.00 C ATOM 712 O VAL A 46 11.304 -2.890 -8.434 1.00 0.00 O ATOM 713 CB VAL A 46 12.150 -5.736 -10.170 1.00 0.00 C ATOM 714 CG1 VAL A 46 11.699 -7.169 -10.545 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.794 -4.734 -11.290 1.00 0.00 C ATOM 0 H VAL A 46 9.690 -4.383 -9.083 1.00 0.00 H new ATOM 0 HA VAL A 46 11.912 -6.005 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 46 13.235 -5.758 -10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.122 -7.442 -11.512 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.046 -7.870 -9.786 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.611 -7.205 -10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.206 -5.085 -12.236 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.710 -4.652 -11.374 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.214 -3.757 -11.051 1.00 0.00 H new ATOM 725 N VAL A 47 13.399 -3.737 -8.177 1.00 0.00 N ATOM 726 CA VAL A 47 14.046 -2.425 -7.983 1.00 0.00 C ATOM 727 C VAL A 47 14.082 -1.686 -9.335 1.00 0.00 C ATOM 728 O VAL A 47 14.655 -2.186 -10.306 1.00 0.00 O ATOM 729 CB VAL A 47 15.501 -2.561 -7.396 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.176 -1.175 -7.233 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.485 -3.343 -6.059 1.00 0.00 C ATOM 0 H VAL A 47 14.033 -4.532 -8.090 1.00 0.00 H new ATOM 0 HA VAL A 47 13.464 -1.858 -7.256 1.00 0.00 H new ATOM 0 HB VAL A 47 16.098 -3.130 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.179 -1.304 -6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.239 -0.685 -8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.585 -0.560 -6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.501 -3.424 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.863 -2.815 -5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.080 -4.341 -6.226 1.00 0.00 H new ATOM 741 N GLY A 48 13.442 -0.503 -9.374 1.00 0.00 N ATOM 742 CA GLY A 48 13.260 0.265 -10.605 1.00 0.00 C ATOM 743 C GLY A 48 11.991 -0.120 -11.361 1.00 0.00 C ATOM 744 O GLY A 48 11.664 0.515 -12.366 1.00 0.00 O ATOM 0 H GLY A 48 13.039 -0.058 -8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.225 1.327 -10.363 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.123 0.114 -11.253 1.00 0.00 H new ATOM 748 N GLY A 49 11.276 -1.157 -10.873 1.00 0.00 N ATOM 749 CA GLY A 49 10.012 -1.607 -11.472 1.00 0.00 C ATOM 750 C GLY A 49 8.843 -0.726 -11.079 1.00 0.00 C ATOM 751 O GLY A 49 8.949 0.032 -10.118 1.00 0.00 O ATOM 0 H GLY A 49 11.561 -1.699 -10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.109 -1.615 -12.558 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.811 -2.633 -11.163 1.00 0.00 H new ATOM 755 N ARG A 50 7.723 -0.808 -11.819 1.00 0.00 N ATOM 756 CA ARG A 50 6.541 0.046 -11.571 1.00 0.00 C ATOM 757 C ARG A 50 5.260 -0.775 -11.385 1.00 0.00 C ATOM 758 O ARG A 50 5.140 -1.907 -11.859 1.00 0.00 O ATOM 759 CB ARG A 50 6.338 1.083 -12.717 1.00 0.00 C ATOM 760 CG ARG A 50 7.416 2.181 -12.780 1.00 0.00 C ATOM 761 CD ARG A 50 7.145 3.248 -13.852 1.00 0.00 C ATOM 762 NE ARG A 50 8.174 4.301 -13.838 1.00 0.00 N ATOM 763 CZ ARG A 50 8.512 5.091 -14.870 1.00 0.00 C ATOM 764 NH1 ARG A 50 7.917 4.966 -16.057 1.00 0.00 N ATOM 765 NH2 ARG A 50 9.445 6.006 -14.697 1.00 0.00 N ATOM 0 H ARG A 50 7.609 -1.458 -12.597 1.00 0.00 H new ATOM 0 HA ARG A 50 6.740 0.579 -10.641 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.319 0.554 -13.670 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.363 1.555 -12.595 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.486 2.666 -11.806 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.383 1.718 -12.976 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.117 2.778 -14.835 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.165 3.694 -13.684 1.00 0.00 H new ATOM 0 HE ARG A 50 8.677 4.444 -12.962 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.192 4.261 -16.192 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.187 5.575 -16.829 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.899 6.106 -13.789 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.713 6.614 -15.471 1.00 0.00 H new ATOM 779 N PHE A 51 4.300 -0.154 -10.693 1.00 0.00 N ATOM 780 CA PHE A 51 2.947 -0.681 -10.505 1.00 0.00 C ATOM 781 C PHE A 51 1.939 0.411 -10.892 1.00 0.00 C ATOM 782 O PHE A 51 2.272 1.605 -10.890 1.00 0.00 O ATOM 783 CB PHE A 51 2.727 -1.141 -9.036 1.00 0.00 C ATOM 784 CG PHE A 51 2.755 -0.011 -8.001 1.00 0.00 C ATOM 785 CD1 PHE A 51 3.956 0.470 -7.505 1.00 0.00 C ATOM 786 CD2 PHE A 51 1.578 0.574 -7.539 1.00 0.00 C ATOM 787 CE1 PHE A 51 3.980 1.493 -6.588 1.00 0.00 C ATOM 788 CE2 PHE A 51 1.601 1.598 -6.618 1.00 0.00 C ATOM 789 CZ PHE A 51 2.803 2.058 -6.145 1.00 0.00 C ATOM 0 H PHE A 51 4.446 0.748 -10.239 1.00 0.00 H new ATOM 0 HA PHE A 51 2.805 -1.555 -11.141 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.767 -1.653 -8.970 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.495 -1.870 -8.779 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.885 0.035 -7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.629 0.217 -7.910 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.925 1.856 -6.213 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.677 2.036 -6.270 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.828 2.863 -5.425 1.00 0.00 H new ATOM 799 N CYS A 52 0.718 -0.009 -11.212 1.00 0.00 N ATOM 800 CA CYS A 52 -0.397 0.887 -11.542 1.00 0.00 C ATOM 801 C CYS A 52 -1.687 0.268 -10.994 1.00 0.00 C ATOM 802 O CYS A 52 -1.986 -0.874 -11.303 1.00 0.00 O ATOM 803 CB CYS A 52 -0.491 1.086 -13.077 1.00 0.00 C ATOM 804 SG CYS A 52 0.897 1.989 -13.805 1.00 0.00 S ATOM 0 H CYS A 52 0.467 -0.997 -11.251 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.239 1.867 -11.091 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.561 0.108 -13.553 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.414 1.619 -13.305 1.00 0.00 H new ATOM 0 HG CYS A 52 1.832 2.139 -12.914 1.00 0.00 H new ATOM 810 N HIS A 53 -2.423 0.990 -10.138 1.00 0.00 N ATOM 811 CA HIS A 53 -3.710 0.511 -9.600 1.00 0.00 C ATOM 812 C HIS A 53 -4.801 1.538 -9.891 1.00 0.00 C ATOM 813 O HIS A 53 -5.039 2.447 -9.096 1.00 0.00 O ATOM 814 CB HIS A 53 -3.631 0.211 -8.075 1.00 0.00 C ATOM 815 CG HIS A 53 -2.671 -0.879 -7.717 1.00 0.00 C ATOM 816 ND1 HIS A 53 -2.911 -2.201 -7.998 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.462 -0.842 -7.118 1.00 0.00 C ATOM 818 CE1 HIS A 53 -1.896 -2.925 -7.596 1.00 0.00 C ATOM 819 NE2 HIS A 53 -1.003 -2.130 -7.058 1.00 0.00 N ATOM 0 H HIS A 53 -2.150 1.913 -9.800 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.954 -0.429 -10.096 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.342 1.122 -7.551 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.624 -0.062 -7.717 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.953 0.038 -6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.809 -3.997 -7.692 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.111 -2.424 -6.660 1.00 0.00 H new ATOM 828 N HIS A 54 -5.442 1.399 -11.062 1.00 0.00 N ATOM 829 CA HIS A 54 -6.552 2.265 -11.463 1.00 0.00 C ATOM 830 C HIS A 54 -7.808 1.879 -10.665 1.00 0.00 C ATOM 831 O HIS A 54 -8.615 1.044 -11.103 1.00 0.00 O ATOM 832 CB HIS A 54 -6.791 2.153 -12.992 1.00 0.00 C ATOM 833 CG HIS A 54 -7.982 2.934 -13.498 1.00 0.00 C ATOM 834 ND1 HIS A 54 -9.023 2.346 -14.183 1.00 0.00 N ATOM 835 CD2 HIS A 54 -8.287 4.255 -13.423 1.00 0.00 C ATOM 836 CE1 HIS A 54 -9.913 3.262 -14.499 1.00 0.00 C ATOM 837 NE2 HIS A 54 -9.493 4.428 -14.053 1.00 0.00 N ATOM 0 H HIS A 54 -5.204 0.686 -11.751 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.310 3.305 -11.244 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.898 2.498 -13.513 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.925 1.103 -13.250 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -9.093 1.354 -14.410 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.692 5.025 -12.955 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -10.834 3.087 -15.035 1.00 0.00 H new ATOM 846 N MET A 55 -7.919 2.467 -9.465 1.00 0.00 N ATOM 847 CA MET A 55 -9.092 2.322 -8.602 1.00 0.00 C ATOM 848 C MET A 55 -10.175 3.280 -9.095 1.00 0.00 C ATOM 849 O MET A 55 -9.864 4.346 -9.621 1.00 0.00 O ATOM 850 CB MET A 55 -8.719 2.618 -7.119 1.00 0.00 C ATOM 851 CG MET A 55 -9.831 2.314 -6.106 1.00 0.00 C ATOM 852 SD MET A 55 -9.399 2.767 -4.408 1.00 0.00 S ATOM 853 CE MET A 55 -9.278 4.559 -4.497 1.00 0.00 C ATOM 0 H MET A 55 -7.191 3.060 -9.067 1.00 0.00 H new ATOM 0 HA MET A 55 -9.463 1.298 -8.646 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.837 2.033 -6.857 1.00 0.00 H new ATOM 0 HB3 MET A 55 -8.443 3.669 -7.031 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.735 2.849 -6.398 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.064 1.250 -6.142 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.346 4.884 -4.035 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.295 4.873 -5.541 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.120 5.007 -3.969 1.00 0.00 H new ATOM 863 N ALA A 56 -11.431 2.873 -8.945 1.00 0.00 N ATOM 864 CA ALA A 56 -12.595 3.647 -9.391 1.00 0.00 C ATOM 865 C ALA A 56 -13.848 3.098 -8.726 1.00 0.00 C ATOM 866 O ALA A 56 -13.884 1.930 -8.336 1.00 0.00 O ATOM 867 CB ALA A 56 -12.738 3.615 -10.922 1.00 0.00 C ATOM 0 H ALA A 56 -11.677 1.986 -8.505 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.454 4.688 -9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.610 4.198 -11.218 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.845 4.040 -11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.861 2.584 -11.254 1.00 0.00 H new ATOM 873 N ALA A 57 -14.859 3.955 -8.586 1.00 0.00 N ATOM 874 CA ALA A 57 -16.175 3.569 -8.067 1.00 0.00 C ATOM 875 C ALA A 57 -16.895 2.632 -9.056 1.00 0.00 C ATOM 876 O ALA A 57 -16.478 2.505 -10.214 1.00 0.00 O ATOM 877 CB ALA A 57 -17.006 4.822 -7.788 1.00 0.00 C ATOM 0 H ALA A 57 -14.790 4.943 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.045 3.024 -7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.983 4.532 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.494 5.441 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.133 5.387 -8.711 1.00 0.00 H new ATOM 883 N LYS A 58 -17.971 1.980 -8.595 1.00 0.00 N ATOM 884 CA LYS A 58 -18.761 1.036 -9.418 1.00 0.00 C ATOM 885 C LYS A 58 -19.541 1.752 -10.536 1.00 0.00 C ATOM 886 O LYS A 58 -19.980 1.107 -11.496 1.00 0.00 O ATOM 887 CB LYS A 58 -19.697 0.172 -8.524 1.00 0.00 C ATOM 888 CG LYS A 58 -18.943 -0.864 -7.655 1.00 0.00 C ATOM 889 CD LYS A 58 -19.886 -1.817 -6.890 1.00 0.00 C ATOM 890 CE LYS A 58 -19.120 -2.902 -6.116 1.00 0.00 C ATOM 891 NZ LYS A 58 -20.033 -3.815 -5.378 1.00 0.00 N ATOM 0 H LYS A 58 -18.323 2.087 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.058 0.366 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -20.272 0.830 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.411 -0.351 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.282 -1.451 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.311 -0.338 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.495 -1.240 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.569 -2.291 -7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.513 -3.482 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.435 -2.429 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.473 -4.530 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.595 -3.267 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.670 -4.287 -6.051 1.00 0.00 H new ATOM 905 N ASP A 59 -19.690 3.084 -10.409 1.00 0.00 N ATOM 906 CA ASP A 59 -20.243 3.946 -11.481 1.00 0.00 C ATOM 907 C ASP A 59 -19.150 4.279 -12.509 1.00 0.00 C ATOM 908 O ASP A 59 -19.449 4.526 -13.682 1.00 0.00 O ATOM 909 CB ASP A 59 -20.800 5.268 -10.880 1.00 0.00 C ATOM 910 CG ASP A 59 -21.960 5.030 -9.901 1.00 0.00 C ATOM 911 OD1 ASP A 59 -21.703 4.627 -8.748 1.00 0.00 O ATOM 912 OD2 ASP A 59 -23.135 5.226 -10.280 1.00 0.00 O ATOM 0 H ASP A 59 -19.433 3.595 -9.565 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.052 3.405 -11.972 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.997 5.795 -10.365 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.139 5.916 -11.688 1.00 0.00 H new ATOM 917 N GLY A 60 -17.878 4.271 -12.047 1.00 0.00 N ATOM 918 CA GLY A 60 -16.715 4.610 -12.885 1.00 0.00 C ATOM 919 C GLY A 60 -16.591 6.104 -13.192 1.00 0.00 C ATOM 920 O GLY A 60 -15.818 6.497 -14.072 1.00 0.00 O ATOM 0 H GLY A 60 -17.635 4.030 -11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.807 4.275 -12.383 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.782 4.060 -13.824 1.00 0.00 H new ATOM 924 N SER A 61 -17.358 6.931 -12.455 1.00 0.00 N ATOM 925 CA SER A 61 -17.373 8.393 -12.623 1.00 0.00 C ATOM 926 C SER A 61 -16.145 9.022 -11.940 1.00 0.00 C ATOM 927 O SER A 61 -15.499 9.908 -12.500 1.00 0.00 O ATOM 928 CB SER A 61 -18.694 8.963 -12.051 1.00 0.00 C ATOM 929 OG SER A 61 -18.761 10.382 -12.148 1.00 0.00 O ATOM 0 H SER A 61 -17.987 6.600 -11.723 1.00 0.00 H new ATOM 0 HA SER A 61 -17.321 8.641 -13.683 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.537 8.525 -12.586 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.791 8.668 -11.006 1.00 0.00 H new ATOM 0 HG SER A 61 -19.612 10.695 -11.776 1.00 0.00 H new ATOM 935 N ALA A 62 -15.836 8.541 -10.728 1.00 0.00 N ATOM 936 CA ALA A 62 -14.672 8.990 -9.938 1.00 0.00 C ATOM 937 C ALA A 62 -13.655 7.842 -9.827 1.00 0.00 C ATOM 938 O ALA A 62 -14.043 6.702 -9.531 1.00 0.00 O ATOM 939 CB ALA A 62 -15.124 9.463 -8.544 1.00 0.00 C ATOM 0 H ALA A 62 -16.389 7.823 -10.261 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.196 9.832 -10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.256 9.791 -7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.823 10.292 -8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.613 8.641 -8.022 1.00 0.00 H new ATOM 945 N GLY A 63 -12.364 8.146 -10.074 1.00 0.00 N ATOM 946 CA GLY A 63 -11.285 7.155 -10.001 1.00 0.00 C ATOM 947 C GLY A 63 -9.929 7.774 -9.701 1.00 0.00 C ATOM 948 O GLY A 63 -9.705 8.949 -10.002 1.00 0.00 O ATOM 0 H GLY A 63 -12.047 9.082 -10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.523 6.423 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.231 6.615 -10.946 1.00 0.00 H new ATOM 952 N PHE A 64 -9.023 6.980 -9.088 1.00 0.00 N ATOM 953 CA PHE A 64 -7.641 7.392 -8.764 1.00 0.00 C ATOM 954 C PHE A 64 -6.654 6.269 -9.140 1.00 0.00 C ATOM 955 O PHE A 64 -6.811 5.120 -8.706 1.00 0.00 O ATOM 956 CB PHE A 64 -7.512 7.736 -7.256 1.00 0.00 C ATOM 957 CG PHE A 64 -8.358 8.946 -6.841 1.00 0.00 C ATOM 958 CD1 PHE A 64 -7.913 10.244 -7.093 1.00 0.00 C ATOM 959 CD2 PHE A 64 -9.605 8.785 -6.235 1.00 0.00 C ATOM 960 CE1 PHE A 64 -8.683 11.341 -6.745 1.00 0.00 C ATOM 961 CE2 PHE A 64 -10.374 9.883 -5.895 1.00 0.00 C ATOM 962 CZ PHE A 64 -9.913 11.160 -6.147 1.00 0.00 C ATOM 0 H PHE A 64 -9.234 6.024 -8.801 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.401 8.284 -9.342 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.812 6.871 -6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.466 7.934 -7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.954 10.395 -7.566 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -9.974 7.791 -6.029 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -8.320 12.339 -6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -11.339 9.741 -5.431 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.514 12.015 -5.876 1.00 0.00 H new ATOM 972 N ASP A 65 -5.650 6.622 -9.963 1.00 0.00 N ATOM 973 CA ASP A 65 -4.565 5.704 -10.371 1.00 0.00 C ATOM 974 C ASP A 65 -3.442 5.731 -9.322 1.00 0.00 C ATOM 975 O ASP A 65 -2.910 6.797 -9.035 1.00 0.00 O ATOM 976 CB ASP A 65 -3.972 6.136 -11.741 1.00 0.00 C ATOM 977 CG ASP A 65 -4.993 6.139 -12.879 1.00 0.00 C ATOM 978 OD1 ASP A 65 -5.658 7.169 -13.090 1.00 0.00 O ATOM 979 OD2 ASP A 65 -5.144 5.104 -13.560 1.00 0.00 O ATOM 0 H ASP A 65 -5.566 7.555 -10.367 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.980 4.700 -10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.546 7.135 -11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.154 5.465 -12.001 1.00 0.00 H new ATOM 984 N PHE A 66 -3.074 4.567 -8.764 1.00 0.00 N ATOM 985 CA PHE A 66 -1.930 4.446 -7.837 1.00 0.00 C ATOM 986 C PHE A 66 -0.735 3.913 -8.627 1.00 0.00 C ATOM 987 O PHE A 66 -0.527 2.703 -8.749 1.00 0.00 O ATOM 988 CB PHE A 66 -2.274 3.541 -6.627 1.00 0.00 C ATOM 989 CG PHE A 66 -3.451 4.070 -5.807 1.00 0.00 C ATOM 990 CD1 PHE A 66 -3.271 5.107 -4.895 1.00 0.00 C ATOM 991 CD2 PHE A 66 -4.732 3.543 -5.964 1.00 0.00 C ATOM 992 CE1 PHE A 66 -4.333 5.598 -4.158 1.00 0.00 C ATOM 993 CE2 PHE A 66 -5.791 4.033 -5.226 1.00 0.00 C ATOM 994 CZ PHE A 66 -5.592 5.060 -4.323 1.00 0.00 C ATOM 0 H PHE A 66 -3.556 3.685 -8.939 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.684 5.422 -7.420 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.508 2.538 -6.984 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.399 3.454 -5.983 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.288 5.534 -4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.898 2.743 -6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.177 6.402 -3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.777 3.613 -5.355 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.422 5.441 -3.747 1.00 0.00 H new ATOM 1004 N THR A 67 -0.021 4.853 -9.241 1.00 0.00 N ATOM 1005 CA THR A 67 1.140 4.590 -10.092 1.00 0.00 C ATOM 1006 C THR A 67 2.425 4.965 -9.332 1.00 0.00 C ATOM 1007 O THR A 67 2.474 6.027 -8.704 1.00 0.00 O ATOM 1008 CB THR A 67 1.017 5.432 -11.399 1.00 0.00 C ATOM 1009 OG1 THR A 67 0.833 6.823 -11.070 1.00 0.00 O ATOM 1010 CG2 THR A 67 -0.160 4.966 -12.280 1.00 0.00 C ATOM 0 H THR A 67 -0.239 5.846 -9.159 1.00 0.00 H new ATOM 0 HA THR A 67 1.181 3.532 -10.352 1.00 0.00 H new ATOM 0 HB THR A 67 1.940 5.292 -11.962 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.758 7.347 -11.895 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.207 5.581 -13.179 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.014 3.923 -12.561 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.092 5.065 -11.724 1.00 0.00 H new ATOM 1018 N GLY A 68 3.465 4.113 -9.401 1.00 0.00 N ATOM 1019 CA GLY A 68 4.714 4.379 -8.688 1.00 0.00 C ATOM 1020 C GLY A 68 5.836 3.435 -9.068 1.00 0.00 C ATOM 1021 O GLY A 68 5.584 2.321 -9.523 1.00 0.00 O ATOM 0 H GLY A 68 3.460 3.246 -9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.027 5.403 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.534 4.305 -7.615 1.00 0.00 H new ATOM 1025 N THR A 69 7.083 3.890 -8.870 1.00 0.00 N ATOM 1026 CA THR A 69 8.291 3.095 -9.113 1.00 0.00 C ATOM 1027 C THR A 69 8.845 2.606 -7.770 1.00 0.00 C ATOM 1028 O THR A 69 9.115 3.432 -6.894 1.00 0.00 O ATOM 1029 CB THR A 69 9.378 3.971 -9.836 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.814 4.558 -11.015 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.624 3.155 -10.225 1.00 0.00 C ATOM 0 H THR A 69 7.280 4.832 -8.533 1.00 0.00 H new ATOM 0 HA THR A 69 8.041 2.244 -9.747 1.00 0.00 H new ATOM 0 HB THR A 69 9.692 4.743 -9.134 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.433 5.227 -11.376 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.345 3.805 -10.721 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.076 2.731 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.335 2.351 -10.901 1.00 0.00 H new ATOM 1039 N PHE A 70 9.019 1.277 -7.618 1.00 0.00 N ATOM 1040 CA PHE A 70 9.649 0.678 -6.437 1.00 0.00 C ATOM 1041 C PHE A 70 11.119 1.123 -6.354 1.00 0.00 C ATOM 1042 O PHE A 70 11.970 0.663 -7.119 1.00 0.00 O ATOM 1043 CB PHE A 70 9.547 -0.866 -6.482 1.00 0.00 C ATOM 1044 CG PHE A 70 8.115 -1.414 -6.471 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.366 -1.429 -5.293 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.522 -1.919 -7.630 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.075 -1.931 -5.272 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.231 -2.423 -7.608 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.507 -2.429 -6.429 1.00 0.00 C ATOM 0 H PHE A 70 8.724 0.593 -8.315 1.00 0.00 H new ATOM 0 HA PHE A 70 9.123 1.020 -5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.052 -1.224 -7.379 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.085 -1.277 -5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.800 -1.043 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.077 -1.917 -8.556 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.512 -1.933 -4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.789 -2.812 -8.513 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.501 -2.822 -6.413 1.00 0.00 H new ATOM 1059 N THR A 71 11.390 2.047 -5.428 1.00 0.00 N ATOM 1060 CA THR A 71 12.722 2.640 -5.248 1.00 0.00 C ATOM 1061 C THR A 71 13.586 1.794 -4.293 1.00 0.00 C ATOM 1062 O THR A 71 14.802 1.995 -4.211 1.00 0.00 O ATOM 1063 CB THR A 71 12.607 4.126 -4.756 1.00 0.00 C ATOM 1064 OG1 THR A 71 13.904 4.730 -4.584 1.00 0.00 O ATOM 1065 CG2 THR A 71 11.810 4.255 -3.451 1.00 0.00 C ATOM 0 H THR A 71 10.691 2.407 -4.779 1.00 0.00 H new ATOM 0 HA THR A 71 13.223 2.647 -6.216 1.00 0.00 H new ATOM 0 HB THR A 71 12.065 4.656 -5.540 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.580 4.029 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.762 5.303 -3.156 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.800 3.874 -3.602 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.301 3.680 -2.666 1.00 0.00 H new ATOM 1073 N ARG A 72 12.948 0.841 -3.587 1.00 0.00 N ATOM 1074 CA ARG A 72 13.625 -0.061 -2.639 1.00 0.00 C ATOM 1075 C ARG A 72 12.758 -1.309 -2.423 1.00 0.00 C ATOM 1076 O ARG A 72 11.620 -1.193 -1.965 1.00 0.00 O ATOM 1077 CB ARG A 72 13.851 0.696 -1.307 1.00 0.00 C ATOM 1078 CG ARG A 72 14.510 -0.099 -0.156 1.00 0.00 C ATOM 1079 CD ARG A 72 14.639 0.764 1.118 1.00 0.00 C ATOM 1080 NE ARG A 72 15.311 0.066 2.219 1.00 0.00 N ATOM 1081 CZ ARG A 72 15.707 0.635 3.374 1.00 0.00 C ATOM 1082 NH1 ARG A 72 15.509 1.929 3.598 1.00 0.00 N ATOM 1083 NH2 ARG A 72 16.312 -0.095 4.295 1.00 0.00 N ATOM 0 H ARG A 72 11.944 0.675 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 72 14.591 -0.378 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.469 1.570 -1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.886 1.063 -0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.917 -0.987 0.062 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.497 -0.443 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.192 1.672 0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.645 1.072 1.443 1.00 0.00 H new ATOM 0 HE ARG A 72 15.493 -0.931 2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.052 2.505 2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.814 2.347 4.477 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.478 -1.088 4.131 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.612 0.335 5.170 1.00 0.00 H new ATOM 1097 N VAL A 73 13.285 -2.493 -2.777 1.00 0.00 N ATOM 1098 CA VAL A 73 12.613 -3.783 -2.528 1.00 0.00 C ATOM 1099 C VAL A 73 13.549 -4.673 -1.704 1.00 0.00 C ATOM 1100 O VAL A 73 14.534 -5.202 -2.233 1.00 0.00 O ATOM 1101 CB VAL A 73 12.205 -4.545 -3.856 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.373 -5.812 -3.528 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.455 -3.614 -4.838 1.00 0.00 C ATOM 0 H VAL A 73 14.188 -2.585 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 73 11.688 -3.568 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 73 13.121 -4.864 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.103 -6.320 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.963 -6.483 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.467 -5.524 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.191 -4.171 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.548 -3.240 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.097 -2.775 -5.106 1.00 0.00 H new ATOM 1113 N GLU A 74 13.262 -4.798 -0.399 1.00 0.00 N ATOM 1114 CA GLU A 74 13.998 -5.689 0.510 1.00 0.00 C ATOM 1115 C GLU A 74 12.995 -6.591 1.227 1.00 0.00 C ATOM 1116 O GLU A 74 12.600 -6.331 2.366 1.00 0.00 O ATOM 1117 CB GLU A 74 14.850 -4.873 1.517 1.00 0.00 C ATOM 1118 CG GLU A 74 15.864 -3.904 0.870 1.00 0.00 C ATOM 1119 CD GLU A 74 16.825 -3.277 1.882 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.353 -2.592 2.806 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.052 -3.468 1.770 1.00 0.00 O ATOM 0 H GLU A 74 12.510 -4.282 0.057 1.00 0.00 H new ATOM 0 HA GLU A 74 14.691 -6.307 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.180 -4.301 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.391 -5.567 2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.440 -4.440 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.322 -3.112 0.354 1.00 0.00 H new ATOM 1128 N ALA A 75 12.562 -7.633 0.513 1.00 0.00 N ATOM 1129 CA ALA A 75 11.556 -8.574 0.996 1.00 0.00 C ATOM 1130 C ALA A 75 12.110 -9.405 2.178 1.00 0.00 C ATOM 1131 O ALA A 75 13.281 -9.796 2.149 1.00 0.00 O ATOM 1132 CB ALA A 75 11.116 -9.489 -0.152 1.00 0.00 C ATOM 0 H ALA A 75 12.904 -7.846 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 75 10.691 -8.017 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.365 -10.191 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.692 -8.887 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.977 -10.041 -0.528 1.00 0.00 H new ATOM 1138 N PRO A 76 11.308 -9.660 3.253 1.00 0.00 N ATOM 1139 CA PRO A 76 9.967 -9.053 3.493 1.00 0.00 C ATOM 1140 C PRO A 76 10.000 -7.878 4.500 1.00 0.00 C ATOM 1141 O PRO A 76 8.943 -7.431 4.956 1.00 0.00 O ATOM 1142 CB PRO A 76 9.220 -10.258 4.084 1.00 0.00 C ATOM 1143 CG PRO A 76 10.256 -10.957 4.929 1.00 0.00 C ATOM 1144 CD PRO A 76 11.617 -10.648 4.310 1.00 0.00 C ATOM 0 HA PRO A 76 9.524 -8.612 2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.365 -9.942 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.837 -10.912 3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.213 -10.607 5.960 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.076 -12.032 4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.309 -10.241 5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.081 -11.544 3.897 1.00 0.00 H new ATOM 1152 N THR A 77 11.209 -7.380 4.814 1.00 0.00 N ATOM 1153 CA THR A 77 11.433 -6.414 5.899 1.00 0.00 C ATOM 1154 C THR A 77 10.936 -5.012 5.527 1.00 0.00 C ATOM 1155 O THR A 77 10.279 -4.354 6.327 1.00 0.00 O ATOM 1156 CB THR A 77 12.949 -6.359 6.275 1.00 0.00 C ATOM 1157 OG1 THR A 77 13.745 -6.257 5.083 1.00 0.00 O ATOM 1158 CG2 THR A 77 13.384 -7.586 7.080 1.00 0.00 C ATOM 0 H THR A 77 12.062 -7.639 4.318 1.00 0.00 H new ATOM 0 HA THR A 77 10.859 -6.754 6.761 1.00 0.00 H new ATOM 0 HB THR A 77 13.100 -5.479 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.694 -6.221 5.325 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.444 -7.507 7.320 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.806 -7.639 8.003 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.212 -8.487 6.491 1.00 0.00 H new ATOM 1166 N ARG A 78 11.255 -4.563 4.310 1.00 0.00 N ATOM 1167 CA ARG A 78 10.915 -3.214 3.837 1.00 0.00 C ATOM 1168 C ARG A 78 10.555 -3.222 2.356 1.00 0.00 C ATOM 1169 O ARG A 78 11.071 -4.017 1.563 1.00 0.00 O ATOM 1170 CB ARG A 78 12.077 -2.198 4.087 1.00 0.00 C ATOM 1171 CG ARG A 78 12.123 -1.606 5.514 1.00 0.00 C ATOM 1172 CD ARG A 78 13.090 -0.422 5.635 1.00 0.00 C ATOM 1173 NE ARG A 78 12.933 0.293 6.911 1.00 0.00 N ATOM 1174 CZ ARG A 78 12.780 1.619 7.054 1.00 0.00 C ATOM 1175 NH1 ARG A 78 12.769 2.429 5.992 1.00 0.00 N ATOM 1176 NH2 ARG A 78 12.619 2.126 8.262 1.00 0.00 N ATOM 0 H ARG A 78 11.757 -5.124 3.622 1.00 0.00 H new ATOM 0 HA ARG A 78 10.047 -2.892 4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.026 -2.695 3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.986 -1.380 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.122 -1.283 5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.420 -2.385 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.115 -0.781 5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.921 0.269 4.809 1.00 0.00 H new ATOM 0 HE ARG A 78 12.941 -0.268 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.878 2.042 5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.652 3.434 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.612 1.512 9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.502 3.132 8.381 1.00 0.00 H new ATOM 1190 N LEU A 79 9.674 -2.291 2.006 1.00 0.00 N ATOM 1191 CA LEU A 79 9.322 -1.970 0.634 1.00 0.00 C ATOM 1192 C LEU A 79 9.136 -0.455 0.555 1.00 0.00 C ATOM 1193 O LEU A 79 8.683 0.168 1.519 1.00 0.00 O ATOM 1194 CB LEU A 79 8.027 -2.716 0.211 1.00 0.00 C ATOM 1195 CG LEU A 79 7.613 -2.553 -1.281 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.757 -2.989 -2.229 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.306 -3.322 -1.582 1.00 0.00 C ATOM 0 H LEU A 79 9.173 -1.725 2.691 1.00 0.00 H new ATOM 0 HA LEU A 79 10.108 -2.290 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.156 -3.778 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.206 -2.366 0.837 1.00 0.00 H new ATOM 0 HG LEU A 79 7.422 -1.495 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.439 -2.864 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.638 -2.374 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.001 -4.036 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.040 -3.191 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.451 -4.382 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.504 -2.936 -0.953 1.00 0.00 H new ATOM 1209 N SER A 80 9.519 0.138 -0.566 1.00 0.00 N ATOM 1210 CA SER A 80 9.371 1.572 -0.791 1.00 0.00 C ATOM 1211 C SER A 80 9.184 1.833 -2.282 1.00 0.00 C ATOM 1212 O SER A 80 9.744 1.123 -3.129 1.00 0.00 O ATOM 1213 CB SER A 80 10.592 2.351 -0.258 1.00 0.00 C ATOM 1214 OG SER A 80 10.430 3.742 -0.452 1.00 0.00 O ATOM 0 H SER A 80 9.942 -0.361 -1.348 1.00 0.00 H new ATOM 0 HA SER A 80 8.494 1.922 -0.246 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.726 2.142 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.494 2.012 -0.767 1.00 0.00 H new ATOM 0 HG SER A 80 9.481 3.975 -0.373 1.00 0.00 H new ATOM 1220 N PHE A 81 8.419 2.877 -2.572 1.00 0.00 N ATOM 1221 CA PHE A 81 8.053 3.272 -3.917 1.00 0.00 C ATOM 1222 C PHE A 81 7.707 4.762 -3.928 1.00 0.00 C ATOM 1223 O PHE A 81 7.069 5.266 -3.007 1.00 0.00 O ATOM 1224 CB PHE A 81 6.867 2.409 -4.437 1.00 0.00 C ATOM 1225 CG PHE A 81 5.654 2.310 -3.493 1.00 0.00 C ATOM 1226 CD1 PHE A 81 4.623 3.250 -3.538 1.00 0.00 C ATOM 1227 CD2 PHE A 81 5.537 1.255 -2.581 1.00 0.00 C ATOM 1228 CE1 PHE A 81 3.519 3.140 -2.711 1.00 0.00 C ATOM 1229 CE2 PHE A 81 4.436 1.150 -1.750 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.426 2.092 -1.817 1.00 0.00 C ATOM 0 H PHE A 81 8.027 3.487 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 81 8.895 3.104 -4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.532 2.820 -5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.233 1.402 -4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.688 4.077 -4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.318 0.511 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.729 3.875 -2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.365 0.332 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.565 2.008 -1.170 1.00 0.00 H new ATOM 1240 N VAL A 82 8.143 5.453 -4.982 1.00 0.00 N ATOM 1241 CA VAL A 82 7.859 6.878 -5.184 1.00 0.00 C ATOM 1242 C VAL A 82 6.849 6.986 -6.323 1.00 0.00 C ATOM 1243 O VAL A 82 7.087 6.462 -7.414 1.00 0.00 O ATOM 1244 CB VAL A 82 9.153 7.710 -5.517 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.816 9.211 -5.703 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.235 7.514 -4.432 1.00 0.00 C ATOM 0 H VAL A 82 8.706 5.039 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 82 7.460 7.297 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 82 9.556 7.338 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.728 9.763 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.107 9.326 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.376 9.602 -4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.117 8.100 -4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.848 7.844 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.505 6.459 -4.373 1.00 0.00 H new ATOM 1256 N MET A 83 5.735 7.680 -6.064 1.00 0.00 N ATOM 1257 CA MET A 83 4.609 7.763 -6.998 1.00 0.00 C ATOM 1258 C MET A 83 4.922 8.769 -8.107 1.00 0.00 C ATOM 1259 O MET A 83 5.798 9.629 -7.944 1.00 0.00 O ATOM 1260 CB MET A 83 3.302 8.152 -6.255 1.00 0.00 C ATOM 1261 CG MET A 83 2.863 7.130 -5.200 1.00 0.00 C ATOM 1262 SD MET A 83 1.212 7.453 -4.541 1.00 0.00 S ATOM 1263 CE MET A 83 1.383 9.108 -3.871 1.00 0.00 C ATOM 0 H MET A 83 5.590 8.200 -5.199 1.00 0.00 H new ATOM 0 HA MET A 83 4.458 6.782 -7.448 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.443 9.120 -5.774 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.502 8.273 -6.985 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.883 6.133 -5.639 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.581 7.132 -4.380 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.446 9.410 -3.404 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.179 9.119 -3.127 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.628 9.802 -4.675 1.00 0.00 H new ATOM 1273 N ASP A 84 4.177 8.660 -9.221 1.00 0.00 N ATOM 1274 CA ASP A 84 4.275 9.594 -10.377 1.00 0.00 C ATOM 1275 C ASP A 84 3.771 11.008 -10.018 1.00 0.00 C ATOM 1276 O ASP A 84 3.906 11.941 -10.811 1.00 0.00 O ATOM 1277 CB ASP A 84 3.481 9.034 -11.590 1.00 0.00 C ATOM 1278 CG ASP A 84 4.102 7.771 -12.212 1.00 0.00 C ATOM 1279 OD1 ASP A 84 4.112 6.713 -11.557 1.00 0.00 O ATOM 1280 OD2 ASP A 84 4.594 7.833 -13.359 1.00 0.00 O ATOM 0 H ASP A 84 3.485 7.922 -9.354 1.00 0.00 H new ATOM 0 HA ASP A 84 5.329 9.677 -10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.463 8.808 -11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.412 9.807 -12.355 1.00 0.00 H new ATOM 1285 N ASP A 85 3.182 11.140 -8.818 1.00 0.00 N ATOM 1286 CA ASP A 85 2.734 12.427 -8.251 1.00 0.00 C ATOM 1287 C ASP A 85 3.914 13.169 -7.592 1.00 0.00 C ATOM 1288 O ASP A 85 3.762 14.315 -7.156 1.00 0.00 O ATOM 1289 CB ASP A 85 1.620 12.180 -7.203 1.00 0.00 C ATOM 1290 CG ASP A 85 0.476 11.331 -7.764 1.00 0.00 C ATOM 1291 OD1 ASP A 85 0.602 10.089 -7.746 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -0.525 11.891 -8.265 1.00 0.00 O ATOM 0 H ASP A 85 3.000 10.346 -8.204 1.00 0.00 H new ATOM 0 HA ASP A 85 2.341 13.045 -9.059 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.047 11.682 -6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.226 13.137 -6.861 1.00 0.00 H new ATOM 1297 N GLY A 86 5.083 12.494 -7.519 1.00 0.00 N ATOM 1298 CA GLY A 86 6.289 13.035 -6.882 1.00 0.00 C ATOM 1299 C GLY A 86 6.476 12.540 -5.447 1.00 0.00 C ATOM 1300 O GLY A 86 7.567 12.657 -4.891 1.00 0.00 O ATOM 0 H GLY A 86 5.210 11.558 -7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.162 12.758 -7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.237 14.124 -6.882 1.00 0.00 H new ATOM 1304 N ARG A 87 5.402 11.982 -4.861 1.00 0.00 N ATOM 1305 CA ARG A 87 5.325 11.682 -3.418 1.00 0.00 C ATOM 1306 C ARG A 87 5.935 10.312 -3.079 1.00 0.00 C ATOM 1307 O ARG A 87 5.504 9.292 -3.619 1.00 0.00 O ATOM 1308 CB ARG A 87 3.844 11.767 -2.970 1.00 0.00 C ATOM 1309 CG ARG A 87 3.159 13.106 -3.336 1.00 0.00 C ATOM 1310 CD ARG A 87 3.873 14.323 -2.723 1.00 0.00 C ATOM 1311 NE ARG A 87 3.319 15.598 -3.184 1.00 0.00 N ATOM 1312 CZ ARG A 87 3.853 16.807 -2.929 1.00 0.00 C ATOM 1313 NH1 ARG A 87 4.964 16.927 -2.202 1.00 0.00 N ATOM 1314 NH2 ARG A 87 3.266 17.891 -3.415 1.00 0.00 N ATOM 0 H ARG A 87 4.560 11.725 -5.376 1.00 0.00 H new ATOM 0 HA ARG A 87 5.915 12.419 -2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.288 10.948 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.791 11.625 -1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.134 13.212 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.124 13.086 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.800 14.272 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.933 14.281 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 87 2.464 15.568 -3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.422 16.095 -1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.356 17.851 -2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.418 17.804 -3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.662 18.812 -3.228 1.00 0.00 H new ATOM 1328 N GLU A 88 6.921 10.318 -2.163 1.00 0.00 N ATOM 1329 CA GLU A 88 7.656 9.114 -1.738 1.00 0.00 C ATOM 1330 C GLU A 88 6.891 8.377 -0.622 1.00 0.00 C ATOM 1331 O GLU A 88 6.425 9.001 0.330 1.00 0.00 O ATOM 1332 CB GLU A 88 9.064 9.524 -1.234 1.00 0.00 C ATOM 1333 CG GLU A 88 9.929 8.360 -0.707 1.00 0.00 C ATOM 1334 CD GLU A 88 11.266 8.820 -0.116 1.00 0.00 C ATOM 1335 OE1 GLU A 88 11.282 9.292 1.044 1.00 0.00 O ATOM 1336 OE2 GLU A 88 12.309 8.722 -0.800 1.00 0.00 O ATOM 0 H GLU A 88 7.232 11.168 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 88 7.754 8.440 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.597 10.014 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.949 10.261 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.370 7.817 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.120 7.661 -1.521 1.00 0.00 H new ATOM 1343 N VAL A 89 6.777 7.043 -0.749 1.00 0.00 N ATOM 1344 CA VAL A 89 6.070 6.184 0.214 1.00 0.00 C ATOM 1345 C VAL A 89 7.000 5.020 0.641 1.00 0.00 C ATOM 1346 O VAL A 89 7.622 4.389 -0.205 1.00 0.00 O ATOM 1347 CB VAL A 89 4.745 5.598 -0.413 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.928 4.830 0.643 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.890 6.693 -1.108 1.00 0.00 C ATOM 0 H VAL A 89 7.178 6.527 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 89 5.800 6.786 1.082 1.00 0.00 H new ATOM 0 HB VAL A 89 5.040 4.892 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.020 4.437 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.524 4.005 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.661 5.504 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.989 6.242 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.611 7.454 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.469 7.152 -1.909 1.00 0.00 H new ATOM 1359 N ASP A 90 7.081 4.749 1.954 1.00 0.00 N ATOM 1360 CA ASP A 90 7.925 3.685 2.540 1.00 0.00 C ATOM 1361 C ASP A 90 7.066 2.802 3.453 1.00 0.00 C ATOM 1362 O ASP A 90 6.693 3.220 4.552 1.00 0.00 O ATOM 1363 CB ASP A 90 9.081 4.309 3.378 1.00 0.00 C ATOM 1364 CG ASP A 90 10.192 4.979 2.548 1.00 0.00 C ATOM 1365 OD1 ASP A 90 9.955 6.054 1.973 1.00 0.00 O ATOM 1366 OD2 ASP A 90 11.312 4.427 2.467 1.00 0.00 O ATOM 0 H ASP A 90 6.554 5.271 2.654 1.00 0.00 H new ATOM 0 HA ASP A 90 8.351 3.089 1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.659 5.049 4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.528 3.528 3.993 1.00 0.00 H new ATOM 1371 N VAL A 91 6.767 1.578 2.998 1.00 0.00 N ATOM 1372 CA VAL A 91 5.977 0.601 3.769 1.00 0.00 C ATOM 1373 C VAL A 91 6.915 -0.474 4.360 1.00 0.00 C ATOM 1374 O VAL A 91 7.452 -1.304 3.625 1.00 0.00 O ATOM 1375 CB VAL A 91 4.868 -0.072 2.880 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.961 -0.977 3.745 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.047 1.001 2.118 1.00 0.00 C ATOM 0 H VAL A 91 7.065 1.234 2.085 1.00 0.00 H new ATOM 0 HA VAL A 91 5.474 1.130 4.579 1.00 0.00 H new ATOM 0 HB VAL A 91 5.352 -0.702 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.198 -1.436 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.563 -1.756 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.481 -0.378 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.286 0.513 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.566 1.668 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.711 1.578 1.474 1.00 0.00 H new ATOM 1387 N GLN A 92 7.107 -0.444 5.686 1.00 0.00 N ATOM 1388 CA GLN A 92 7.966 -1.401 6.405 1.00 0.00 C ATOM 1389 C GLN A 92 7.093 -2.477 7.079 1.00 0.00 C ATOM 1390 O GLN A 92 6.018 -2.176 7.610 1.00 0.00 O ATOM 1391 CB GLN A 92 8.830 -0.660 7.464 1.00 0.00 C ATOM 1392 CG GLN A 92 8.036 0.086 8.561 1.00 0.00 C ATOM 1393 CD GLN A 92 8.904 0.748 9.632 1.00 0.00 C ATOM 1394 OE1 GLN A 92 10.029 1.175 9.376 1.00 0.00 O ATOM 1395 NE2 GLN A 92 8.382 0.837 10.846 1.00 0.00 N ATOM 0 H GLN A 92 6.670 0.248 6.295 1.00 0.00 H new ATOM 0 HA GLN A 92 8.636 -1.884 5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.487 -1.385 7.944 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.469 0.058 6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.418 0.850 8.089 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.359 -0.618 9.044 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.446 0.473 11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.916 1.269 11.600 1.00 0.00 H new ATOM 1404 N PHE A 93 7.550 -3.733 7.014 1.00 0.00 N ATOM 1405 CA PHE A 93 6.880 -4.877 7.646 1.00 0.00 C ATOM 1406 C PHE A 93 7.816 -5.415 8.735 1.00 0.00 C ATOM 1407 O PHE A 93 8.776 -6.136 8.442 1.00 0.00 O ATOM 1408 CB PHE A 93 6.565 -5.976 6.594 1.00 0.00 C ATOM 1409 CG PHE A 93 5.756 -5.500 5.379 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.373 -4.780 4.350 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.394 -5.768 5.265 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.651 -4.342 3.258 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.673 -5.333 4.167 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.305 -4.619 3.167 1.00 0.00 C ATOM 0 H PHE A 93 8.404 -3.987 6.517 1.00 0.00 H new ATOM 0 HA PHE A 93 5.930 -4.570 8.083 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.505 -6.400 6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.016 -6.780 7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.429 -4.564 4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.894 -6.323 6.045 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.141 -3.782 2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.618 -5.551 4.092 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.742 -4.277 2.311 1.00 0.00 H new ATOM 1424 N ALA A 94 7.558 -5.009 9.979 1.00 0.00 N ATOM 1425 CA ALA A 94 8.416 -5.309 11.134 1.00 0.00 C ATOM 1426 C ALA A 94 7.737 -6.344 12.036 1.00 0.00 C ATOM 1427 O ALA A 94 6.725 -6.043 12.669 1.00 0.00 O ATOM 1428 CB ALA A 94 8.722 -4.013 11.907 1.00 0.00 C ATOM 0 H ALA A 94 6.736 -4.454 10.220 1.00 0.00 H new ATOM 0 HA ALA A 94 9.359 -5.730 10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.358 -4.241 12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.235 -3.310 11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.790 -3.569 12.256 1.00 0.00 H new ATOM 1434 N SER A 95 8.307 -7.558 12.079 1.00 0.00 N ATOM 1435 CA SER A 95 7.750 -8.694 12.836 1.00 0.00 C ATOM 1436 C SER A 95 7.719 -8.407 14.354 1.00 0.00 C ATOM 1437 O SER A 95 8.681 -7.868 14.907 1.00 0.00 O ATOM 1438 CB SER A 95 8.583 -9.958 12.536 1.00 0.00 C ATOM 1439 OG SER A 95 8.612 -10.218 11.142 1.00 0.00 O ATOM 0 H SER A 95 9.172 -7.782 11.587 1.00 0.00 H new ATOM 0 HA SER A 95 6.719 -8.852 12.520 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.599 -9.827 12.908 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.159 -10.813 13.062 1.00 0.00 H new ATOM 0 HG SER A 95 9.146 -11.022 10.970 1.00 0.00 H new ATOM 1445 N GLU A 96 6.614 -8.783 15.017 1.00 0.00 N ATOM 1446 CA GLU A 96 6.406 -8.542 16.462 1.00 0.00 C ATOM 1447 C GLU A 96 5.869 -9.822 17.144 1.00 0.00 C ATOM 1448 O GLU A 96 5.275 -10.671 16.463 1.00 0.00 O ATOM 1449 CB GLU A 96 5.424 -7.353 16.689 1.00 0.00 C ATOM 1450 CG GLU A 96 4.036 -7.533 16.043 1.00 0.00 C ATOM 1451 CD GLU A 96 2.990 -6.520 16.525 1.00 0.00 C ATOM 1452 OE1 GLU A 96 3.151 -5.320 16.265 1.00 0.00 O ATOM 1453 OE2 GLU A 96 1.990 -6.927 17.146 1.00 0.00 O ATOM 0 H GLU A 96 5.835 -9.265 14.569 1.00 0.00 H new ATOM 0 HA GLU A 96 7.365 -8.281 16.909 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.295 -7.206 17.761 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.878 -6.444 16.295 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.136 -7.450 14.961 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.676 -8.540 16.253 1.00 0.00 H new ATOM 1460 N PRO A 97 6.086 -9.999 18.490 1.00 0.00 N ATOM 1461 CA PRO A 97 5.481 -11.115 19.254 1.00 0.00 C ATOM 1462 C PRO A 97 3.935 -10.991 19.277 1.00 0.00 C ATOM 1463 O PRO A 97 3.367 -10.252 20.094 1.00 0.00 O ATOM 1464 CB PRO A 97 6.114 -10.982 20.670 1.00 0.00 C ATOM 1465 CG PRO A 97 6.572 -9.557 20.765 1.00 0.00 C ATOM 1466 CD PRO A 97 6.964 -9.161 19.358 1.00 0.00 C ATOM 0 HA PRO A 97 5.675 -12.095 18.818 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.388 -11.215 21.449 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.948 -11.673 20.795 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.778 -8.915 21.146 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.416 -9.461 21.449 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.801 -8.098 19.182 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.019 -9.358 19.167 1.00 0.00 H new ATOM 1474 N GLY A 98 3.278 -11.664 18.315 1.00 0.00 N ATOM 1475 CA GLY A 98 1.821 -11.625 18.180 1.00 0.00 C ATOM 1476 C GLY A 98 1.368 -11.453 16.731 1.00 0.00 C ATOM 1477 O GLY A 98 0.236 -11.815 16.403 1.00 0.00 O ATOM 0 H GLY A 98 3.743 -12.244 17.617 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.398 -12.546 18.582 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.426 -10.805 18.780 1.00 0.00 H new ATOM 1481 N GLY A 99 2.259 -10.936 15.854 1.00 0.00 N ATOM 1482 CA GLY A 99 1.918 -10.728 14.440 1.00 0.00 C ATOM 1483 C GLY A 99 2.981 -9.940 13.677 1.00 0.00 C ATOM 1484 O GLY A 99 4.171 -10.216 13.819 1.00 0.00 O ATOM 0 H GLY A 99 3.209 -10.660 16.103 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.778 -11.697 13.960 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.967 -10.200 14.376 1.00 0.00 H new ATOM 1488 N THR A 100 2.547 -8.938 12.884 1.00 0.00 N ATOM 1489 CA THR A 100 3.423 -8.125 12.023 1.00 0.00 C ATOM 1490 C THR A 100 2.996 -6.646 12.094 1.00 0.00 C ATOM 1491 O THR A 100 1.882 -6.307 11.688 1.00 0.00 O ATOM 1492 CB THR A 100 3.336 -8.589 10.527 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.567 -10.002 10.433 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.344 -7.843 9.623 1.00 0.00 C ATOM 0 H THR A 100 1.565 -8.670 12.825 1.00 0.00 H new ATOM 0 HA THR A 100 4.446 -8.249 12.379 1.00 0.00 H new ATOM 0 HB THR A 100 2.332 -8.350 10.176 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.770 -10.485 10.737 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.245 -8.199 8.597 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.140 -6.773 9.657 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.358 -8.031 9.976 1.00 0.00 H new ATOM 1502 N TRP A 101 3.893 -5.779 12.582 1.00 0.00 N ATOM 1503 CA TRP A 101 3.674 -4.322 12.599 1.00 0.00 C ATOM 1504 C TRP A 101 4.028 -3.725 11.225 1.00 0.00 C ATOM 1505 O TRP A 101 5.206 -3.570 10.893 1.00 0.00 O ATOM 1506 CB TRP A 101 4.531 -3.662 13.715 1.00 0.00 C ATOM 1507 CG TRP A 101 4.452 -2.143 13.761 1.00 0.00 C ATOM 1508 CD1 TRP A 101 3.321 -1.368 13.726 1.00 0.00 C ATOM 1509 CD2 TRP A 101 5.556 -1.229 13.861 1.00 0.00 C ATOM 1510 NE1 TRP A 101 3.662 -0.042 13.779 1.00 0.00 N ATOM 1511 CE2 TRP A 101 5.020 0.069 13.871 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.944 -1.386 13.943 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 5.820 1.202 13.959 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 7.740 -0.261 14.034 1.00 0.00 C ATOM 1515 CH2 TRP A 101 7.177 1.021 14.042 1.00 0.00 C ATOM 0 H TRP A 101 4.790 -6.064 12.976 1.00 0.00 H new ATOM 0 HA TRP A 101 2.623 -4.123 12.809 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.215 -4.058 14.680 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.572 -3.954 13.576 1.00 0.00 H new ATOM 0 HD1 TRP A 101 2.311 -1.747 13.666 1.00 0.00 H new ATOM 0 HE1 TRP A 101 3.006 0.738 13.754 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.386 -2.371 13.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 5.388 2.192 13.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.812 -0.372 14.100 1.00 0.00 H new ATOM 0 HH2 TRP A 101 7.823 1.883 14.115 1.00 0.00 H new ATOM 1526 N VAL A 102 2.994 -3.410 10.434 1.00 0.00 N ATOM 1527 CA VAL A 102 3.155 -2.701 9.152 1.00 0.00 C ATOM 1528 C VAL A 102 3.060 -1.187 9.429 1.00 0.00 C ATOM 1529 O VAL A 102 2.274 -0.766 10.279 1.00 0.00 O ATOM 1530 CB VAL A 102 2.051 -3.135 8.103 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.323 -2.529 6.704 1.00 0.00 C ATOM 1532 CG2 VAL A 102 1.919 -4.678 8.035 1.00 0.00 C ATOM 0 H VAL A 102 2.026 -3.637 10.661 1.00 0.00 H new ATOM 0 HA VAL A 102 4.123 -2.954 8.720 1.00 0.00 H new ATOM 0 HB VAL A 102 1.097 -2.735 8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.545 -2.849 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.323 -1.441 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.293 -2.870 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.154 -4.946 7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.873 -5.112 7.735 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.637 -5.063 9.015 1.00 0.00 H new ATOM 1542 N GLN A 103 3.881 -0.384 8.742 1.00 0.00 N ATOM 1543 CA GLN A 103 3.837 1.083 8.837 1.00 0.00 C ATOM 1544 C GLN A 103 4.109 1.691 7.455 1.00 0.00 C ATOM 1545 O GLN A 103 5.150 1.419 6.858 1.00 0.00 O ATOM 1546 CB GLN A 103 4.881 1.622 9.859 1.00 0.00 C ATOM 1547 CG GLN A 103 4.884 3.165 9.986 1.00 0.00 C ATOM 1548 CD GLN A 103 6.082 3.746 10.736 1.00 0.00 C ATOM 1549 OE1 GLN A 103 6.641 3.121 11.628 1.00 0.00 O ATOM 1550 NE2 GLN A 103 6.500 4.948 10.357 1.00 0.00 N ATOM 0 H GLN A 103 4.596 -0.732 8.103 1.00 0.00 H new ATOM 0 HA GLN A 103 2.845 1.371 9.186 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.678 1.186 10.837 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.875 1.288 9.561 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.855 3.597 8.986 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.971 3.475 10.494 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.014 5.445 9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.307 5.374 10.812 1.00 0.00 H new ATOM 1559 N GLU A 104 3.167 2.508 6.964 1.00 0.00 N ATOM 1560 CA GLU A 104 3.319 3.252 5.707 1.00 0.00 C ATOM 1561 C GLU A 104 3.652 4.727 6.013 1.00 0.00 C ATOM 1562 O GLU A 104 2.884 5.420 6.673 1.00 0.00 O ATOM 1563 CB GLU A 104 2.019 3.151 4.868 1.00 0.00 C ATOM 1564 CG GLU A 104 2.054 3.955 3.556 1.00 0.00 C ATOM 1565 CD GLU A 104 0.780 3.807 2.718 1.00 0.00 C ATOM 1566 OE1 GLU A 104 -0.194 4.542 2.980 1.00 0.00 O ATOM 1567 OE2 GLU A 104 0.740 2.940 1.810 1.00 0.00 O ATOM 0 H GLU A 104 2.275 2.672 7.430 1.00 0.00 H new ATOM 0 HA GLU A 104 4.136 2.820 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.830 2.103 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.181 3.499 5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.207 5.009 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.910 3.632 2.963 1.00 0.00 H new ATOM 1574 N THR A 105 4.809 5.187 5.546 1.00 0.00 N ATOM 1575 CA THR A 105 5.224 6.591 5.659 1.00 0.00 C ATOM 1576 C THR A 105 5.210 7.206 4.255 1.00 0.00 C ATOM 1577 O THR A 105 6.073 6.904 3.440 1.00 0.00 O ATOM 1578 CB THR A 105 6.647 6.695 6.300 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.639 6.053 7.586 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.106 8.158 6.467 1.00 0.00 C ATOM 0 H THR A 105 5.493 4.596 5.074 1.00 0.00 H new ATOM 0 HA THR A 105 4.537 7.134 6.308 1.00 0.00 H new ATOM 0 HB THR A 105 7.348 6.201 5.627 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.530 6.116 7.989 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.099 8.179 6.916 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.139 8.643 5.491 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.405 8.688 7.112 1.00 0.00 H new ATOM 1588 N PHE A 106 4.243 8.079 3.989 1.00 0.00 N ATOM 1589 CA PHE A 106 3.992 8.621 2.639 1.00 0.00 C ATOM 1590 C PHE A 106 4.110 10.146 2.691 1.00 0.00 C ATOM 1591 O PHE A 106 3.724 10.754 3.689 1.00 0.00 O ATOM 1592 CB PHE A 106 2.581 8.191 2.130 1.00 0.00 C ATOM 1593 CG PHE A 106 1.421 8.647 3.022 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.033 7.895 4.128 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.734 9.838 2.761 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.006 8.315 4.942 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.298 10.252 3.580 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.656 9.489 4.669 1.00 0.00 C ATOM 0 H PHE A 106 3.605 8.437 4.699 1.00 0.00 H new ATOM 0 HA PHE A 106 4.729 8.224 1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.432 8.592 1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.554 7.105 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.545 6.970 4.350 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.014 10.440 1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.281 7.721 5.797 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.823 11.172 3.367 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.461 9.814 5.312 1.00 0.00 H new ATOM 1608 N ASP A 107 4.631 10.761 1.627 1.00 0.00 N ATOM 1609 CA ASP A 107 4.768 12.222 1.561 1.00 0.00 C ATOM 1610 C ASP A 107 3.429 12.834 1.134 1.00 0.00 C ATOM 1611 O ASP A 107 2.746 12.306 0.241 1.00 0.00 O ATOM 1612 CB ASP A 107 5.906 12.653 0.601 1.00 0.00 C ATOM 1613 CG ASP A 107 6.151 14.178 0.614 1.00 0.00 C ATOM 1614 OD1 ASP A 107 6.372 14.750 1.708 1.00 0.00 O ATOM 1615 OD2 ASP A 107 6.092 14.822 -0.454 1.00 0.00 O ATOM 0 H ASP A 107 4.966 10.271 0.797 1.00 0.00 H new ATOM 0 HA ASP A 107 5.038 12.590 2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.826 12.139 0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.660 12.337 -0.413 1.00 0.00 H new ATOM 1620 N ALA A 108 3.066 13.943 1.787 1.00 0.00 N ATOM 1621 CA ALA A 108 1.778 14.610 1.608 1.00 0.00 C ATOM 1622 C ALA A 108 1.827 15.549 0.399 1.00 0.00 C ATOM 1623 O ALA A 108 2.869 16.130 0.087 1.00 0.00 O ATOM 1624 CB ALA A 108 1.404 15.367 2.895 1.00 0.00 C ATOM 0 H ALA A 108 3.670 14.407 2.465 1.00 0.00 H new ATOM 0 HA ALA A 108 1.007 13.864 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.443 15.863 2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.334 14.663 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.169 16.112 3.115 1.00 0.00 H new ATOM 1630 N GLU A 109 0.689 15.678 -0.276 1.00 0.00 N ATOM 1631 CA GLU A 109 0.525 16.519 -1.465 1.00 0.00 C ATOM 1632 C GLU A 109 0.136 17.942 -1.045 1.00 0.00 C ATOM 1633 O GLU A 109 -0.793 18.129 -0.263 1.00 0.00 O ATOM 1634 CB GLU A 109 -0.542 15.892 -2.400 1.00 0.00 C ATOM 1635 CG GLU A 109 -0.214 14.440 -2.798 1.00 0.00 C ATOM 1636 CD GLU A 109 -1.178 13.845 -3.827 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -2.213 13.284 -3.423 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -0.914 13.959 -5.038 1.00 0.00 O ATOM 0 H GLU A 109 -0.166 15.191 -0.008 1.00 0.00 H new ATOM 0 HA GLU A 109 1.466 16.576 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.512 15.917 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.630 16.499 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.798 14.404 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.224 13.818 -1.903 1.00 0.00 H new ATOM 1688 N THR A 113 -5.504 18.466 1.229 1.00 0.00 N ATOM 1689 CA THR A 113 -5.423 18.671 2.686 1.00 0.00 C ATOM 1690 C THR A 113 -4.760 17.443 3.376 1.00 0.00 C ATOM 1691 O THR A 113 -5.306 16.342 3.297 1.00 0.00 O ATOM 1692 CB THR A 113 -6.848 18.949 3.272 1.00 0.00 C ATOM 1693 OG1 THR A 113 -7.765 17.956 2.808 1.00 0.00 O ATOM 1694 CG2 THR A 113 -7.375 20.333 2.874 1.00 0.00 C ATOM 0 HA THR A 113 -4.798 19.541 2.885 1.00 0.00 H new ATOM 0 HB THR A 113 -6.763 18.915 4.358 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.655 18.134 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.366 20.482 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.698 21.101 3.248 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.436 20.401 1.788 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.547 17.615 4.023 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.731 16.500 4.600 1.00 0.00 C ATOM 1704 C PRO A 114 -3.496 15.539 5.533 1.00 0.00 C ATOM 1705 O PRO A 114 -3.301 14.327 5.459 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.608 17.240 5.368 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.441 18.519 4.622 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.844 18.919 4.216 1.00 0.00 C ATOM 0 HA PRO A 114 -2.382 15.837 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.886 17.418 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.684 16.661 5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.977 19.283 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.800 18.387 3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.326 19.523 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.842 19.511 3.301 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.345 16.100 6.421 1.00 0.00 N ATOM 1717 CA ALA A 115 -5.203 15.310 7.342 1.00 0.00 C ATOM 1718 C ALA A 115 -6.136 14.354 6.583 1.00 0.00 C ATOM 1719 O ALA A 115 -6.296 13.191 6.967 1.00 0.00 O ATOM 1720 CB ALA A 115 -6.014 16.251 8.249 1.00 0.00 C ATOM 0 H ALA A 115 -4.458 17.109 6.523 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.547 14.696 7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.639 15.661 8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.333 16.867 8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.646 16.893 7.635 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.735 14.865 5.497 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.617 14.075 4.619 1.00 0.00 C ATOM 1728 C GLN A 116 -6.838 12.930 3.943 1.00 0.00 C ATOM 1729 O GLN A 116 -7.357 11.816 3.800 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.261 14.993 3.552 1.00 0.00 C ATOM 1731 CG GLN A 116 -9.223 14.297 2.568 1.00 0.00 C ATOM 1732 CD GLN A 116 -9.833 15.228 1.513 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -10.969 15.029 1.089 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -9.089 16.234 1.062 1.00 0.00 N ATOM 0 H GLN A 116 -6.623 15.835 5.202 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.405 13.633 5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -8.805 15.788 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.465 15.468 2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.687 13.495 2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.030 13.832 3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -8.149 16.378 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.459 16.862 0.348 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.583 13.220 3.546 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.693 12.233 2.893 1.00 0.00 C ATOM 1745 C GLN A 117 -4.311 11.137 3.881 1.00 0.00 C ATOM 1746 O GLN A 117 -4.228 9.969 3.516 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.397 12.880 2.361 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.605 14.150 1.536 1.00 0.00 C ATOM 1749 CD GLN A 117 -2.296 14.693 1.000 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.418 13.921 0.608 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -2.106 15.993 1.075 1.00 0.00 N ATOM 0 H GLN A 117 -5.157 14.139 3.667 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.247 11.818 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.751 13.115 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.868 12.149 1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.278 13.938 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.088 14.908 2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.857 16.600 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.208 16.394 0.804 1.00 0.00 H new ATOM 1760 N GLN A 118 -4.053 11.550 5.133 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.698 10.640 6.222 1.00 0.00 C ATOM 1762 C GLN A 118 -4.835 9.660 6.484 1.00 0.00 C ATOM 1763 O GLN A 118 -4.606 8.464 6.540 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.355 11.439 7.501 1.00 0.00 C ATOM 1765 CG GLN A 118 -3.011 10.568 8.730 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.679 11.387 9.974 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -3.198 12.487 10.166 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -1.812 10.873 10.826 1.00 0.00 N ATOM 0 H GLN A 118 -4.086 12.530 5.414 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.816 10.070 5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.510 12.094 7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.201 12.080 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.853 9.912 8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.163 9.928 8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.397 9.960 10.643 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.557 11.389 11.668 1.00 0.00 H new ATOM 1777 N ALA A 119 -6.057 10.196 6.601 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.275 9.392 6.805 1.00 0.00 C ATOM 1779 C ALA A 119 -7.550 8.484 5.581 1.00 0.00 C ATOM 1780 O ALA A 119 -8.044 7.361 5.729 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.472 10.319 7.083 1.00 0.00 C ATOM 0 H ALA A 119 -6.232 11.200 6.557 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.126 8.744 7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.370 9.719 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.276 10.908 7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.620 10.987 6.234 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.194 8.990 4.377 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.389 8.264 3.113 1.00 0.00 C ATOM 1789 C GLY A 120 -6.493 7.043 2.980 1.00 0.00 C ATOM 1790 O GLY A 120 -6.984 5.917 2.829 1.00 0.00 O ATOM 0 H GLY A 120 -6.766 9.909 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.431 7.952 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.197 8.940 2.280 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.175 7.270 3.064 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.165 6.201 2.992 1.00 0.00 C ATOM 1796 C TRP A 121 -4.268 5.244 4.181 1.00 0.00 C ATOM 1797 O TRP A 121 -4.029 4.045 4.026 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.741 6.782 2.918 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.382 7.385 1.583 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.394 8.703 1.239 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.939 6.676 0.414 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -1.983 8.856 -0.053 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.699 7.631 -0.582 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -1.719 5.325 0.119 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -1.250 7.288 -1.853 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 -1.273 4.983 -1.142 1.00 0.00 C ATOM 1807 CH2 TRP A 121 -1.040 5.963 -2.118 1.00 0.00 C ATOM 0 H TRP A 121 -4.777 8.201 3.184 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.366 5.640 2.079 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.633 7.545 3.689 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.027 5.992 3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -2.687 9.510 1.894 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -1.901 9.745 -0.545 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -1.895 4.564 0.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -1.073 8.043 -2.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -1.101 3.944 -1.381 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -0.689 5.666 -3.095 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.615 5.778 5.372 1.00 0.00 N ATOM 1819 CA GLN A 122 -4.848 4.942 6.570 1.00 0.00 C ATOM 1820 C GLN A 122 -6.089 4.085 6.337 1.00 0.00 C ATOM 1821 O GLN A 122 -6.152 2.975 6.817 1.00 0.00 O ATOM 1822 CB GLN A 122 -4.988 5.801 7.871 1.00 0.00 C ATOM 1823 CG GLN A 122 -4.341 5.195 9.141 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.966 3.887 9.638 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -6.163 3.658 9.513 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -4.156 3.015 10.204 1.00 0.00 N ATOM 0 H GLN A 122 -4.739 6.778 5.529 1.00 0.00 H new ATOM 0 HA GLN A 122 -3.981 4.299 6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.544 6.780 7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.048 5.964 8.066 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -3.284 5.020 8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.396 5.932 9.943 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.163 3.227 10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -4.522 2.128 10.549 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.057 4.624 5.575 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.209 3.851 5.122 1.00 0.00 C ATOM 1837 C GLY A 123 -7.797 2.676 4.234 1.00 0.00 C ATOM 1838 O GLY A 123 -8.321 1.581 4.386 1.00 0.00 O ATOM 0 H GLY A 123 -7.057 5.595 5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.757 3.477 5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.888 4.501 4.571 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.826 2.913 3.336 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.301 1.894 2.397 1.00 0.00 C ATOM 1844 C ILE A 124 -5.440 0.828 3.135 1.00 0.00 C ATOM 1845 O ILE A 124 -5.488 -0.367 2.798 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.466 2.594 1.256 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.362 3.617 0.483 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.829 1.571 0.283 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.633 4.442 -0.559 1.00 0.00 C ATOM 0 H ILE A 124 -6.376 3.823 3.237 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.148 1.375 1.949 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.644 3.130 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.171 3.073 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.822 4.293 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.265 2.101 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.159 0.912 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.614 0.979 -0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.335 5.122 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.842 5.018 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.196 3.780 -1.307 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.685 1.268 4.157 1.00 0.00 N ATOM 1862 CA LEU A 125 -3.800 0.387 4.950 1.00 0.00 C ATOM 1863 C LEU A 125 -4.627 -0.429 5.969 1.00 0.00 C ATOM 1864 O LEU A 125 -4.310 -1.586 6.271 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.708 1.229 5.671 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.608 0.415 6.425 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -0.830 -0.517 5.458 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.655 1.358 7.197 1.00 0.00 C ATOM 0 H LEU A 125 -4.669 2.242 4.459 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.304 -0.312 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.220 1.865 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.199 1.889 6.386 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.105 -0.223 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.073 -1.069 6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.522 -1.219 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.348 0.082 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.102 0.767 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.169 2.037 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.225 1.934 7.926 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.679 0.219 6.502 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.703 -0.422 7.358 1.00 0.00 C ATOM 1882 C ASP A 126 -7.561 -1.376 6.524 1.00 0.00 C ATOM 1883 O ASP A 126 -8.007 -2.396 7.026 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.586 0.653 8.059 1.00 0.00 C ATOM 1885 CG ASP A 126 -8.729 0.073 8.906 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -8.453 -0.523 9.964 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -9.901 0.179 8.500 1.00 0.00 O ATOM 0 H ASP A 126 -5.847 1.214 6.351 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.200 -0.998 8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.952 1.268 8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.009 1.311 7.300 1.00 0.00 H new ATOM 1892 N ASN A 127 -7.765 -1.040 5.236 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.452 -1.926 4.274 1.00 0.00 C ATOM 1894 C ASN A 127 -7.624 -3.196 4.064 1.00 0.00 C ATOM 1895 O ASN A 127 -8.172 -4.292 4.034 1.00 0.00 O ATOM 1896 CB ASN A 127 -8.694 -1.189 2.925 1.00 0.00 C ATOM 1897 CG ASN A 127 -9.149 -2.108 1.783 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -8.337 -2.586 1.003 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.437 -2.382 1.696 1.00 0.00 N ATOM 0 H ASN A 127 -7.461 -0.153 4.834 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.425 -2.205 4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.446 -0.415 3.076 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -7.774 -0.686 2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -10.777 -3.006 0.965 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -11.092 -1.969 2.360 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.297 -3.014 3.944 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.334 -4.118 3.830 1.00 0.00 C ATOM 1908 C PHE A 128 -5.374 -5.008 5.089 1.00 0.00 C ATOM 1909 O PHE A 128 -5.487 -6.229 4.980 1.00 0.00 O ATOM 1910 CB PHE A 128 -3.904 -3.561 3.614 1.00 0.00 C ATOM 1911 CG PHE A 128 -2.799 -4.624 3.679 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -2.773 -5.675 2.766 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -1.803 -4.574 4.655 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -1.794 -6.640 2.825 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -0.820 -5.542 4.711 1.00 0.00 C ATOM 1916 CZ PHE A 128 -0.817 -6.575 3.795 1.00 0.00 C ATOM 0 H PHE A 128 -5.863 -2.091 3.924 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.609 -4.727 2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.861 -3.067 2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.705 -2.799 4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.532 -5.734 2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.801 -3.769 5.375 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.791 -7.450 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.054 -5.491 5.471 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.049 -7.333 3.839 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.274 -4.369 6.270 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.253 -5.057 7.570 1.00 0.00 C ATOM 1928 C LYS A 129 -6.532 -5.881 7.773 1.00 0.00 C ATOM 1929 O LYS A 129 -6.465 -7.084 8.036 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.084 -4.016 8.703 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.121 -4.600 10.137 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.011 -3.505 11.220 1.00 0.00 C ATOM 1933 CE LYS A 129 -6.131 -2.456 11.111 1.00 0.00 C ATOM 1934 NZ LYS A 129 -5.988 -1.369 12.107 1.00 0.00 N ATOM 0 H LYS A 129 -5.205 -3.354 6.347 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.409 -5.747 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.135 -3.498 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -5.872 -3.269 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.049 -5.154 10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.304 -5.311 10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -5.046 -3.968 12.206 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.044 -3.010 11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.128 -2.029 10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.096 -2.944 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.766 -0.689 11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.018 -1.771 13.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.080 -0.884 11.963 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.688 -5.221 7.590 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.007 -5.861 7.738 1.00 0.00 C ATOM 1950 C ARG A 130 -9.226 -6.934 6.669 1.00 0.00 C ATOM 1951 O ARG A 130 -9.947 -7.886 6.914 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.163 -4.819 7.688 1.00 0.00 C ATOM 1953 CG ARG A 130 -10.164 -3.818 8.865 1.00 0.00 C ATOM 1954 CD ARG A 130 -11.405 -2.907 8.887 1.00 0.00 C ATOM 1955 NE ARG A 130 -11.330 -1.903 9.960 1.00 0.00 N ATOM 1956 CZ ARG A 130 -12.334 -1.545 10.783 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -13.541 -2.095 10.657 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -12.124 -0.615 11.695 1.00 0.00 N ATOM 0 H ARG A 130 -7.735 -4.234 7.337 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.018 -6.336 8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.096 -4.263 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -11.115 -5.349 7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -10.110 -4.370 9.803 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -9.268 -3.199 8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -11.503 -2.404 7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.300 -3.515 9.021 1.00 0.00 H new ATOM 0 HE ARG A 130 -10.434 -1.434 10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -13.710 -2.793 9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -14.296 -1.818 11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -11.207 -0.174 11.772 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -12.878 -0.337 12.323 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.612 -6.758 5.484 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.655 -7.755 4.401 1.00 0.00 C ATOM 1974 C TYR A 131 -7.958 -9.053 4.839 1.00 0.00 C ATOM 1975 O TYR A 131 -8.517 -10.127 4.658 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.011 -7.196 3.097 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.712 -8.258 2.025 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.735 -8.818 1.257 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.411 -8.725 1.820 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.467 -9.798 0.325 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.144 -9.704 0.898 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.172 -10.238 0.151 1.00 0.00 C ATOM 1983 OH TYR A 131 -6.904 -11.222 -0.774 1.00 0.00 O ATOM 0 H TYR A 131 -8.074 -5.923 5.252 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.700 -7.978 4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.677 -6.446 2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.082 -6.687 3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.751 -8.479 1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.601 -8.307 2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.267 -10.219 -0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.132 -10.055 0.758 1.00 0.00 H new ATOM 0 HH TYR A 131 -5.997 -11.566 -0.632 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.737 -8.937 5.404 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.946 -10.102 5.846 1.00 0.00 C ATOM 1995 C VAL A 132 -6.670 -10.816 7.001 1.00 0.00 C ATOM 1996 O VAL A 132 -6.878 -12.035 6.955 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.481 -9.704 6.274 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.662 -10.948 6.716 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.762 -8.951 5.129 1.00 0.00 C ATOM 0 H VAL A 132 -6.277 -8.041 5.565 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.855 -10.780 4.998 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.555 -9.035 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.657 -10.639 7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.153 -11.424 7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.600 -11.656 5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.753 -8.686 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.710 -9.592 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.316 -8.044 4.886 1.00 0.00 H new ATOM 2009 N GLU A 133 -7.107 -10.030 7.997 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.844 -10.538 9.175 1.00 0.00 C ATOM 2011 C GLU A 133 -9.182 -11.207 8.763 1.00 0.00 C ATOM 2012 O GLU A 133 -9.588 -12.205 9.365 1.00 0.00 O ATOM 2013 CB GLU A 133 -8.103 -9.380 10.181 1.00 0.00 C ATOM 2014 CG GLU A 133 -6.830 -8.744 10.793 1.00 0.00 C ATOM 2015 CD GLU A 133 -6.087 -9.656 11.793 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -5.257 -10.479 11.370 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -6.336 -9.551 13.013 1.00 0.00 O ATOM 0 H GLU A 133 -6.961 -9.021 8.012 1.00 0.00 H new ATOM 0 HA GLU A 133 -7.229 -11.299 9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -8.672 -8.600 9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -8.728 -9.756 10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -6.148 -8.476 9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -7.106 -7.818 11.298 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.848 -10.661 7.721 1.00 0.00 N ATOM 2025 CA ALA A 134 -11.147 -11.181 7.220 1.00 0.00 C ATOM 2026 C ALA A 134 -10.962 -12.187 6.082 1.00 0.00 C ATOM 2027 O ALA A 134 -11.939 -12.778 5.623 1.00 0.00 O ATOM 2028 CB ALA A 134 -12.078 -10.037 6.776 1.00 0.00 C ATOM 0 H ALA A 134 -9.505 -9.852 7.204 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.616 -11.703 8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.019 -10.453 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -12.273 -9.378 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.602 -9.470 5.976 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.710 -12.364 5.615 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.378 -13.346 4.562 1.00 0.00 C ATOM 2036 C ALA A 135 -9.598 -14.759 5.100 1.00 0.00 C ATOM 2037 O ALA A 135 -10.171 -15.599 4.416 1.00 0.00 O ATOM 2038 CB ALA A 135 -7.932 -13.177 4.063 1.00 0.00 C ATOM 0 H ALA A 135 -8.906 -11.835 5.953 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.035 -13.173 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.725 -13.917 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -7.804 -12.176 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.241 -13.319 4.894 1.00 0.00 H new ATOM 2044 N GLY A 136 -9.168 -14.973 6.360 1.00 0.00 N ATOM 2045 CA GLY A 136 -9.245 -16.281 7.002 1.00 0.00 C ATOM 2046 C GLY A 136 -8.258 -17.251 6.379 1.00 0.00 C ATOM 2047 O GLY A 136 -8.652 -18.300 5.841 1.00 0.00 O ATOM 0 H GLY A 136 -8.763 -14.245 6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -9.038 -16.180 8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -10.257 -16.676 6.910 1.00 0.00 H new ATOM 2051 N LEU A 137 -6.969 -16.858 6.407 1.00 0.00 N ATOM 2052 CA LEU A 137 -5.865 -17.634 5.820 1.00 0.00 C ATOM 2053 C LEU A 137 -5.535 -18.844 6.718 1.00 0.00 C ATOM 2054 O LEU A 137 -4.559 -18.831 7.473 1.00 0.00 O ATOM 2055 CB LEU A 137 -4.622 -16.719 5.613 1.00 0.00 C ATOM 2056 CG LEU A 137 -4.842 -15.461 4.718 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -3.597 -14.544 4.703 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -5.266 -15.863 3.289 1.00 0.00 C ATOM 0 H LEU A 137 -6.665 -15.986 6.841 1.00 0.00 H new ATOM 0 HA LEU A 137 -6.166 -18.014 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -4.272 -16.388 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -3.824 -17.318 5.174 1.00 0.00 H new ATOM 0 HG LEU A 137 -5.657 -14.886 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.790 -13.679 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -3.380 -14.209 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.743 -15.097 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.412 -14.966 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.488 -16.479 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -6.197 -16.428 3.331 1.00 0.00 H new