USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot 180:sc= 0.0218 USER MOD Set 1.2: A 71 SER OG : rot -76:sc= 0.755 USER MOD Set 2.1: A 2 GLN : amide:sc= -1.39! C(o=-1.7!,f=-9.7!) USER MOD Set 2.2: A 81 THR OG1 : rot 31:sc= -0.268 USER MOD Single : A 1 MET CE :methyl -146:sc= -0.283 (180deg=-1.76!) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0858) USER MOD Single : A 3 HIS : no HD1:sc= -8.54! C(o=-8.5!,f=-16!) USER MOD Single : A 5 SER OG : rot 149:sc= 0.271 USER MOD Single : A 9 GLN : amide:sc= -7.54! K(o=-7.5!,f=-0.48) USER MOD Single : A 33 ASN : amide:sc= -1.28! K(o=-1.3!,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.143 (180deg=-0.919) USER MOD Single : A 62 SER OG : rot 180:sc= -0.284 USER MOD Single : A 65 HIS : no HE2:sc= -9.19! C(o=-9.2!,f=-16!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= -2.95! (180deg=-3.07!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.164 12.721 2.255 1.00 0.00 N ATOM 2 CA MET A 1 0.075 11.375 2.847 1.00 0.00 C ATOM 3 C MET A 1 -0.641 11.263 4.191 1.00 0.00 C ATOM 4 O MET A 1 -0.225 11.834 5.179 1.00 0.00 O ATOM 5 CB MET A 1 1.575 11.161 3.050 1.00 0.00 C ATOM 6 CG MET A 1 2.237 10.915 1.696 1.00 0.00 C ATOM 7 SD MET A 1 3.997 10.568 1.937 1.00 0.00 S ATOM 8 CE MET A 1 4.431 12.135 2.730 1.00 0.00 C ATOM 0 H1 MET A 1 0.179 12.734 1.273 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.183 12.930 2.269 1.00 0.00 H new ATOM 0 H3 MET A 1 0.344 13.439 2.809 1.00 0.00 H new ATOM 0 HA MET A 1 -0.313 10.615 2.169 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.017 12.034 3.531 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.747 10.312 3.711 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.756 10.077 1.191 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.112 11.787 1.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.443 12.421 2.442 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.732 12.909 2.414 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.381 12.021 3.813 1.00 0.00 H new ATOM 20 N GLN A 2 -1.710 10.519 4.234 1.00 0.00 N ATOM 21 CA GLN A 2 -2.457 10.351 5.512 1.00 0.00 C ATOM 22 C GLN A 2 -2.211 8.939 6.044 1.00 0.00 C ATOM 23 O GLN A 2 -2.172 7.985 5.293 1.00 0.00 O ATOM 24 CB GLN A 2 -3.953 10.549 5.259 1.00 0.00 C ATOM 25 CG GLN A 2 -4.206 11.980 4.782 1.00 0.00 C ATOM 26 CD GLN A 2 -5.692 12.157 4.466 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.405 11.190 4.284 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.193 13.359 4.393 1.00 0.00 N ATOM 0 H GLN A 2 -2.100 10.018 3.436 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.117 11.087 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.303 9.838 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.516 10.354 6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.899 12.690 5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.607 12.191 3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.595 14.171 4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.183 13.487 4.183 1.00 0.00 H new ATOM 37 N HIS A 3 -2.040 8.793 7.329 1.00 0.00 N ATOM 38 CA HIS A 3 -1.793 7.436 7.890 1.00 0.00 C ATOM 39 C HIS A 3 -0.778 6.709 7.007 1.00 0.00 C ATOM 40 O HIS A 3 -0.766 5.497 6.923 1.00 0.00 O ATOM 41 CB HIS A 3 -3.108 6.654 7.917 1.00 0.00 C ATOM 42 CG HIS A 3 -3.648 6.627 9.320 1.00 0.00 C ATOM 43 ND1 HIS A 3 -3.443 5.550 10.170 1.00 0.00 N ATOM 44 CD2 HIS A 3 -4.387 7.536 10.038 1.00 0.00 C ATOM 45 CE1 HIS A 3 -4.046 5.834 11.339 1.00 0.00 C ATOM 46 NE2 HIS A 3 -4.635 7.030 11.309 1.00 0.00 N ATOM 0 H HIS A 3 -2.061 9.551 8.011 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.402 7.517 8.904 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.832 7.117 7.246 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.946 5.637 7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.723 8.495 9.672 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.052 5.175 12.195 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -5.158 7.479 12.061 1.00 0.00 H new ATOM 55 N ALA A 4 0.074 7.441 6.343 1.00 0.00 N ATOM 56 CA ALA A 4 1.080 6.790 5.460 1.00 0.00 C ATOM 57 C ALA A 4 1.882 5.767 6.265 1.00 0.00 C ATOM 58 O ALA A 4 2.207 4.701 5.780 1.00 0.00 O ATOM 59 CB ALA A 4 2.028 7.851 4.899 1.00 0.00 C ATOM 0 H ALA A 4 0.116 8.460 6.374 1.00 0.00 H new ATOM 0 HA ALA A 4 0.569 6.286 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.765 7.375 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.458 8.581 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.538 8.355 5.721 1.00 0.00 H new ATOM 65 N SER A 5 2.205 6.077 7.491 1.00 0.00 N ATOM 66 CA SER A 5 2.984 5.110 8.314 1.00 0.00 C ATOM 67 C SER A 5 2.176 3.825 8.493 1.00 0.00 C ATOM 68 O SER A 5 2.704 2.733 8.414 1.00 0.00 O ATOM 69 CB SER A 5 3.282 5.723 9.683 1.00 0.00 C ATOM 70 OG SER A 5 3.953 6.963 9.506 1.00 0.00 O ATOM 0 H SER A 5 1.965 6.953 7.956 1.00 0.00 H new ATOM 0 HA SER A 5 3.923 4.881 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.355 5.874 10.236 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.898 5.044 10.272 1.00 0.00 H new ATOM 0 HG SER A 5 3.720 7.569 10.240 1.00 0.00 H new ATOM 76 N VAL A 6 0.898 3.943 8.721 1.00 0.00 N ATOM 77 CA VAL A 6 0.061 2.723 8.889 1.00 0.00 C ATOM 78 C VAL A 6 0.025 1.969 7.564 1.00 0.00 C ATOM 79 O VAL A 6 0.056 0.757 7.519 1.00 0.00 O ATOM 80 CB VAL A 6 -1.359 3.120 9.290 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.257 1.880 9.285 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.344 3.732 10.693 1.00 0.00 C ATOM 0 H VAL A 6 0.398 4.829 8.798 1.00 0.00 H new ATOM 0 HA VAL A 6 0.484 2.089 9.668 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.744 3.851 8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.270 2.163 9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.270 1.445 8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.871 1.148 9.995 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.358 4.015 10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.958 3.002 11.404 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.706 4.616 10.698 1.00 0.00 H new ATOM 92 N ILE A 7 -0.040 2.684 6.481 1.00 0.00 N ATOM 93 CA ILE A 7 -0.073 2.023 5.153 1.00 0.00 C ATOM 94 C ILE A 7 1.236 1.264 4.917 1.00 0.00 C ATOM 95 O ILE A 7 1.240 0.146 4.441 1.00 0.00 O ATOM 96 CB ILE A 7 -0.246 3.088 4.071 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.585 3.803 4.278 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.225 2.427 2.692 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.696 4.987 3.315 1.00 0.00 C ATOM 0 H ILE A 7 -0.072 3.703 6.459 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.904 1.319 5.117 1.00 0.00 H new ATOM 0 HB ILE A 7 0.568 3.810 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.408 3.108 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.666 4.151 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.349 3.188 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.727 1.916 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.038 1.705 2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.650 5.491 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.882 5.687 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.635 4.627 2.288 1.00 0.00 H new ATOM 111 N ALA A 8 2.349 1.870 5.234 1.00 0.00 N ATOM 112 CA ALA A 8 3.660 1.192 5.014 1.00 0.00 C ATOM 113 C ALA A 8 3.780 -0.051 5.894 1.00 0.00 C ATOM 114 O ALA A 8 4.100 -1.121 5.425 1.00 0.00 O ATOM 115 CB ALA A 8 4.793 2.159 5.360 1.00 0.00 C ATOM 0 H ALA A 8 2.407 2.806 5.636 1.00 0.00 H new ATOM 0 HA ALA A 8 3.725 0.891 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.753 1.667 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.727 3.040 4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.709 2.460 6.404 1.00 0.00 H new ATOM 121 N GLN A 9 3.536 0.077 7.165 1.00 0.00 N ATOM 122 CA GLN A 9 3.653 -1.110 8.057 1.00 0.00 C ATOM 123 C GLN A 9 2.522 -2.097 7.769 1.00 0.00 C ATOM 124 O GLN A 9 2.707 -3.293 7.798 1.00 0.00 O ATOM 125 CB GLN A 9 3.604 -0.673 9.526 1.00 0.00 C ATOM 126 CG GLN A 9 2.293 0.060 9.806 1.00 0.00 C ATOM 127 CD GLN A 9 1.408 -0.804 10.705 1.00 0.00 C ATOM 128 OE1 GLN A 9 1.309 -0.563 11.892 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.758 -1.811 10.188 1.00 0.00 N ATOM 0 H GLN A 9 3.262 0.945 7.625 1.00 0.00 H new ATOM 0 HA GLN A 9 4.608 -1.600 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.691 -1.543 10.177 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.450 -0.023 9.750 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.495 1.017 10.287 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.778 0.276 8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.841 -2.014 9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.167 -2.395 10.780 1.00 0.00 H new ATOM 138 N PHE A 10 1.349 -1.611 7.504 1.00 0.00 N ATOM 139 CA PHE A 10 0.208 -2.530 7.236 1.00 0.00 C ATOM 140 C PHE A 10 0.476 -3.401 6.005 1.00 0.00 C ATOM 141 O PHE A 10 0.245 -4.592 6.021 1.00 0.00 O ATOM 142 CB PHE A 10 -1.057 -1.701 7.004 1.00 0.00 C ATOM 143 CG PHE A 10 -2.233 -2.618 6.775 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.973 -3.097 7.863 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.587 -2.986 5.472 1.00 0.00 C ATOM 146 CE1 PHE A 10 -4.067 -3.943 7.648 1.00 0.00 C ATOM 147 CE2 PHE A 10 -3.680 -3.833 5.256 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.420 -4.311 6.344 1.00 0.00 C ATOM 0 H PHE A 10 1.126 -0.617 7.460 1.00 0.00 H new ATOM 0 HA PHE A 10 0.081 -3.186 8.097 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.246 -1.060 7.865 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.921 -1.046 6.143 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.699 -2.813 8.869 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.017 -2.616 4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.638 -4.312 8.487 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.952 -4.118 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.264 -4.964 6.177 1.00 0.00 H new ATOM 158 N VAL A 11 0.923 -2.819 4.931 1.00 0.00 N ATOM 159 CA VAL A 11 1.157 -3.623 3.696 1.00 0.00 C ATOM 160 C VAL A 11 2.416 -4.504 3.803 1.00 0.00 C ATOM 161 O VAL A 11 2.372 -5.680 3.507 1.00 0.00 O ATOM 162 CB VAL A 11 1.293 -2.675 2.502 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.608 -1.902 2.599 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.278 -3.485 1.205 1.00 0.00 C ATOM 0 H VAL A 11 1.137 -1.825 4.851 1.00 0.00 H new ATOM 0 HA VAL A 11 0.305 -4.290 3.563 1.00 0.00 H new ATOM 0 HB VAL A 11 0.460 -1.972 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.698 -1.229 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.622 -1.322 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.443 -2.603 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.375 -2.811 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.110 -4.189 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.339 -4.033 1.129 1.00 0.00 H new ATOM 174 N VAL A 12 3.536 -3.953 4.192 1.00 0.00 N ATOM 175 CA VAL A 12 4.787 -4.772 4.272 1.00 0.00 C ATOM 176 C VAL A 12 4.690 -5.842 5.362 1.00 0.00 C ATOM 177 O VAL A 12 5.222 -6.925 5.221 1.00 0.00 O ATOM 178 CB VAL A 12 5.976 -3.864 4.570 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.033 -2.727 3.548 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.829 -3.289 5.977 1.00 0.00 C ATOM 0 H VAL A 12 3.641 -2.974 4.458 1.00 0.00 H new ATOM 0 HA VAL A 12 4.921 -5.270 3.312 1.00 0.00 H new ATOM 0 HB VAL A 12 6.898 -4.441 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.885 -2.083 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.141 -3.143 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.114 -2.144 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.677 -2.639 6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.905 -2.714 6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.800 -4.103 6.701 1.00 0.00 H new ATOM 190 N GLU A 13 4.041 -5.553 6.452 1.00 0.00 N ATOM 191 CA GLU A 13 3.952 -6.565 7.540 1.00 0.00 C ATOM 192 C GLU A 13 3.257 -7.827 7.034 1.00 0.00 C ATOM 193 O GLU A 13 3.559 -8.922 7.461 1.00 0.00 O ATOM 194 CB GLU A 13 3.186 -5.988 8.726 1.00 0.00 C ATOM 195 CG GLU A 13 4.094 -5.033 9.502 1.00 0.00 C ATOM 196 CD GLU A 13 3.315 -4.417 10.666 1.00 0.00 C ATOM 197 OE1 GLU A 13 2.112 -4.614 10.718 1.00 0.00 O ATOM 198 OE2 GLU A 13 3.935 -3.759 11.485 1.00 0.00 O ATOM 0 H GLU A 13 3.571 -4.667 6.637 1.00 0.00 H new ATOM 0 HA GLU A 13 4.961 -6.825 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.298 -5.460 8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.844 -6.792 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.966 -5.569 9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.462 -4.248 8.842 1.00 0.00 H new ATOM 205 N GLU A 14 2.336 -7.693 6.126 1.00 0.00 N ATOM 206 CA GLU A 14 1.644 -8.902 5.605 1.00 0.00 C ATOM 207 C GLU A 14 2.650 -9.766 4.844 1.00 0.00 C ATOM 208 O GLU A 14 2.545 -10.976 4.811 1.00 0.00 O ATOM 209 CB GLU A 14 0.513 -8.482 4.664 1.00 0.00 C ATOM 210 CG GLU A 14 -0.565 -7.744 5.459 1.00 0.00 C ATOM 211 CD GLU A 14 -1.722 -7.372 4.529 1.00 0.00 C ATOM 212 OE1 GLU A 14 -1.569 -7.541 3.330 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.739 -6.925 5.031 1.00 0.00 O ATOM 0 H GLU A 14 2.033 -6.806 5.724 1.00 0.00 H new ATOM 0 HA GLU A 14 1.226 -9.471 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.902 -7.839 3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.085 -9.359 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.926 -8.373 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.146 -6.846 5.913 1.00 0.00 H new ATOM 220 N PHE A 15 3.622 -9.153 4.225 1.00 0.00 N ATOM 221 CA PHE A 15 4.629 -9.939 3.458 1.00 0.00 C ATOM 222 C PHE A 15 5.890 -10.154 4.302 1.00 0.00 C ATOM 223 O PHE A 15 6.318 -11.271 4.511 1.00 0.00 O ATOM 224 CB PHE A 15 4.997 -9.180 2.183 1.00 0.00 C ATOM 225 CG PHE A 15 3.733 -8.823 1.445 1.00 0.00 C ATOM 226 CD1 PHE A 15 3.052 -9.793 0.700 1.00 0.00 C ATOM 227 CD2 PHE A 15 3.234 -7.521 1.523 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.870 -9.455 0.029 1.00 0.00 C ATOM 229 CE2 PHE A 15 2.053 -7.182 0.856 1.00 0.00 C ATOM 230 CZ PHE A 15 1.370 -8.149 0.108 1.00 0.00 C ATOM 0 H PHE A 15 3.762 -8.143 4.217 1.00 0.00 H new ATOM 0 HA PHE A 15 4.203 -10.910 3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.557 -8.278 2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.641 -9.793 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.437 -10.800 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.761 -6.775 2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.344 -10.201 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.668 -6.175 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.458 -7.888 -0.408 1.00 0.00 H new ATOM 240 N LEU A 16 6.505 -9.092 4.767 1.00 0.00 N ATOM 241 CA LEU A 16 7.755 -9.249 5.570 1.00 0.00 C ATOM 242 C LEU A 16 7.694 -8.418 6.865 1.00 0.00 C ATOM 243 O LEU A 16 8.220 -7.325 6.941 1.00 0.00 O ATOM 244 CB LEU A 16 8.943 -8.795 4.714 1.00 0.00 C ATOM 245 CG LEU A 16 10.077 -9.815 4.833 1.00 0.00 C ATOM 246 CD1 LEU A 16 9.761 -11.034 3.966 1.00 0.00 C ATOM 247 CD2 LEU A 16 11.386 -9.178 4.359 1.00 0.00 C ATOM 0 H LEU A 16 6.196 -8.130 4.625 1.00 0.00 H new ATOM 0 HA LEU A 16 7.868 -10.295 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.637 -8.695 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.287 -7.814 5.041 1.00 0.00 H new ATOM 0 HG LEU A 16 10.178 -10.126 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.569 -11.760 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.829 -11.488 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.660 -10.724 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.195 -9.904 4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.284 -8.867 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.612 -8.309 4.977 1.00 0.00 H new ATOM 259 N PRO A 17 7.075 -8.948 7.886 1.00 0.00 N ATOM 260 CA PRO A 17 6.967 -8.275 9.205 1.00 0.00 C ATOM 261 C PRO A 17 8.174 -8.569 10.104 1.00 0.00 C ATOM 262 O PRO A 17 8.290 -8.043 11.193 1.00 0.00 O ATOM 263 CB PRO A 17 5.704 -8.876 9.811 1.00 0.00 C ATOM 264 CG PRO A 17 5.549 -10.223 9.177 1.00 0.00 C ATOM 265 CD PRO A 17 6.399 -10.248 7.897 1.00 0.00 C ATOM 0 HA PRO A 17 6.934 -7.190 9.105 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.792 -8.961 10.894 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.837 -8.247 9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.871 -11.006 9.863 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.502 -10.415 8.943 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.116 -11.069 7.911 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.779 -10.382 7.010 1.00 0.00 H new ATOM 273 N ASP A 18 9.072 -9.411 9.660 1.00 0.00 N ATOM 274 CA ASP A 18 10.260 -9.738 10.496 1.00 0.00 C ATOM 275 C ASP A 18 11.244 -8.572 10.443 1.00 0.00 C ATOM 276 O ASP A 18 12.248 -8.556 11.127 1.00 0.00 O ATOM 277 CB ASP A 18 10.926 -10.998 9.951 1.00 0.00 C ATOM 278 CG ASP A 18 10.003 -12.199 10.163 1.00 0.00 C ATOM 279 OD1 ASP A 18 9.037 -12.057 10.895 1.00 0.00 O ATOM 280 OD2 ASP A 18 10.277 -13.241 9.590 1.00 0.00 O ATOM 0 H ASP A 18 9.032 -9.884 8.757 1.00 0.00 H new ATOM 0 HA ASP A 18 9.953 -9.909 11.528 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.143 -10.877 8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.878 -11.165 10.454 1.00 0.00 H new ATOM 285 N VAL A 19 10.944 -7.587 9.645 1.00 0.00 N ATOM 286 CA VAL A 19 11.829 -6.396 9.545 1.00 0.00 C ATOM 287 C VAL A 19 11.067 -5.197 10.101 1.00 0.00 C ATOM 288 O VAL A 19 9.878 -5.065 9.890 1.00 0.00 O ATOM 289 CB VAL A 19 12.190 -6.144 8.079 1.00 0.00 C ATOM 290 CG1 VAL A 19 13.184 -4.985 7.990 1.00 0.00 C ATOM 291 CG2 VAL A 19 12.823 -7.404 7.487 1.00 0.00 C ATOM 0 H VAL A 19 10.115 -7.557 9.052 1.00 0.00 H new ATOM 0 HA VAL A 19 12.748 -6.556 10.108 1.00 0.00 H new ATOM 0 HB VAL A 19 11.288 -5.893 7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.441 -4.806 6.946 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.734 -4.087 8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.086 -5.236 8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.080 -7.226 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.725 -7.655 8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.115 -8.231 7.550 1.00 0.00 H new ATOM 301 N ALA A 20 11.716 -4.324 10.817 1.00 0.00 N ATOM 302 CA ALA A 20 10.974 -3.163 11.371 1.00 0.00 C ATOM 303 C ALA A 20 10.404 -2.349 10.198 1.00 0.00 C ATOM 304 O ALA A 20 11.152 -1.811 9.406 1.00 0.00 O ATOM 305 CB ALA A 20 11.933 -2.285 12.178 1.00 0.00 C ATOM 0 H ALA A 20 12.711 -4.363 11.039 1.00 0.00 H new ATOM 0 HA ALA A 20 10.168 -3.506 12.020 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.390 -1.432 12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.360 -2.867 12.995 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.734 -1.929 11.529 1.00 0.00 H new ATOM 311 N PRO A 21 9.096 -2.258 10.067 1.00 0.00 N ATOM 312 CA PRO A 21 8.477 -1.498 8.949 1.00 0.00 C ATOM 313 C PRO A 21 8.788 -0.003 9.031 1.00 0.00 C ATOM 314 O PRO A 21 8.962 0.663 8.030 1.00 0.00 O ATOM 315 CB PRO A 21 6.973 -1.766 9.067 1.00 0.00 C ATOM 316 CG PRO A 21 6.738 -2.405 10.397 1.00 0.00 C ATOM 317 CD PRO A 21 8.087 -2.854 10.959 1.00 0.00 C ATOM 0 HA PRO A 21 8.872 -1.817 7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.409 -0.837 8.982 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.635 -2.419 8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.259 -1.701 11.077 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.066 -3.257 10.295 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.219 -2.513 11.986 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.166 -3.941 10.972 1.00 0.00 H new ATOM 325 N ALA A 22 8.874 0.525 10.219 1.00 0.00 N ATOM 326 CA ALA A 22 9.193 1.972 10.372 1.00 0.00 C ATOM 327 C ALA A 22 10.675 2.189 10.063 1.00 0.00 C ATOM 328 O ALA A 22 11.127 3.300 9.872 1.00 0.00 O ATOM 329 CB ALA A 22 8.898 2.412 11.807 1.00 0.00 C ATOM 0 H ALA A 22 8.737 0.017 11.093 1.00 0.00 H new ATOM 0 HA ALA A 22 8.584 2.559 9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.132 3.471 11.918 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.843 2.248 12.028 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.508 1.831 12.498 1.00 0.00 H new ATOM 335 N ASP A 23 11.436 1.128 10.023 1.00 0.00 N ATOM 336 CA ASP A 23 12.892 1.255 9.738 1.00 0.00 C ATOM 337 C ASP A 23 13.141 1.066 8.243 1.00 0.00 C ATOM 338 O ASP A 23 14.268 0.977 7.798 1.00 0.00 O ATOM 339 CB ASP A 23 13.661 0.191 10.523 1.00 0.00 C ATOM 340 CG ASP A 23 13.551 0.480 12.021 1.00 0.00 C ATOM 341 OD1 ASP A 23 13.119 1.569 12.363 1.00 0.00 O ATOM 342 OD2 ASP A 23 13.900 -0.391 12.800 1.00 0.00 O ATOM 0 H ASP A 23 11.108 0.174 10.177 1.00 0.00 H new ATOM 0 HA ASP A 23 13.234 2.246 10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.260 -0.798 10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.708 0.186 10.219 1.00 0.00 H new ATOM 347 N VAL A 24 12.100 1.009 7.462 1.00 0.00 N ATOM 348 CA VAL A 24 12.283 0.831 5.996 1.00 0.00 C ATOM 349 C VAL A 24 12.217 2.200 5.323 1.00 0.00 C ATOM 350 O VAL A 24 11.378 3.018 5.641 1.00 0.00 O ATOM 351 CB VAL A 24 11.173 -0.065 5.443 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.400 -0.294 3.948 1.00 0.00 C ATOM 353 CG2 VAL A 24 11.196 -1.410 6.172 1.00 0.00 C ATOM 0 H VAL A 24 11.132 1.078 7.775 1.00 0.00 H new ATOM 0 HA VAL A 24 13.248 0.365 5.798 1.00 0.00 H new ATOM 0 HB VAL A 24 10.207 0.417 5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.609 -0.932 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.387 0.663 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.366 -0.777 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.406 -2.050 5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.162 -1.891 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.036 -1.249 7.238 1.00 0.00 H new ATOM 363 N ASP A 25 13.099 2.461 4.400 1.00 0.00 N ATOM 364 CA ASP A 25 13.083 3.783 3.721 1.00 0.00 C ATOM 365 C ASP A 25 11.804 3.912 2.897 1.00 0.00 C ATOM 366 O ASP A 25 11.786 3.640 1.713 1.00 0.00 O ATOM 367 CB ASP A 25 14.299 3.899 2.800 1.00 0.00 C ATOM 368 CG ASP A 25 15.576 3.930 3.640 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.466 4.102 4.843 1.00 0.00 O ATOM 370 OD2 ASP A 25 16.643 3.782 3.067 1.00 0.00 O ATOM 0 H ASP A 25 13.827 1.818 4.088 1.00 0.00 H new ATOM 0 HA ASP A 25 13.118 4.577 4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.326 3.057 2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.226 4.804 2.197 1.00 0.00 H new ATOM 375 N VAL A 26 10.730 4.327 3.514 1.00 0.00 N ATOM 376 CA VAL A 26 9.452 4.473 2.761 1.00 0.00 C ATOM 377 C VAL A 26 9.632 5.508 1.646 1.00 0.00 C ATOM 378 O VAL A 26 8.700 5.846 0.944 1.00 0.00 O ATOM 379 CB VAL A 26 8.351 4.937 3.715 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.220 3.942 4.869 1.00 0.00 C ATOM 381 CG2 VAL A 26 8.710 6.317 4.272 1.00 0.00 C ATOM 0 H VAL A 26 10.683 4.570 4.503 1.00 0.00 H new ATOM 0 HA VAL A 26 9.175 3.514 2.324 1.00 0.00 H new ATOM 0 HB VAL A 26 7.405 4.994 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.435 4.274 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.966 2.958 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.165 3.884 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.926 6.650 4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.656 6.257 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.803 7.028 3.451 1.00 0.00 H new ATOM 391 N ASP A 27 10.827 6.004 1.470 1.00 0.00 N ATOM 392 CA ASP A 27 11.070 7.004 0.392 1.00 0.00 C ATOM 393 C ASP A 27 11.607 6.280 -0.843 1.00 0.00 C ATOM 394 O ASP A 27 11.997 6.891 -1.818 1.00 0.00 O ATOM 395 CB ASP A 27 12.096 8.034 0.870 1.00 0.00 C ATOM 396 CG ASP A 27 11.501 8.854 2.016 1.00 0.00 C ATOM 397 OD1 ASP A 27 10.301 8.771 2.217 1.00 0.00 O ATOM 398 OD2 ASP A 27 12.256 9.551 2.673 1.00 0.00 O ATOM 0 H ASP A 27 11.646 5.759 2.027 1.00 0.00 H new ATOM 0 HA ASP A 27 10.139 7.515 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.004 7.531 1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.378 8.691 0.047 1.00 0.00 H new ATOM 403 N LEU A 28 11.632 4.976 -0.801 1.00 0.00 N ATOM 404 CA LEU A 28 12.145 4.192 -1.959 1.00 0.00 C ATOM 405 C LEU A 28 10.974 3.728 -2.819 1.00 0.00 C ATOM 406 O LEU A 28 9.965 3.274 -2.316 1.00 0.00 O ATOM 407 CB LEU A 28 12.899 2.964 -1.445 1.00 0.00 C ATOM 408 CG LEU A 28 13.550 2.220 -2.615 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.979 2.727 -2.813 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.574 0.720 -2.310 1.00 0.00 C ATOM 0 H LEU A 28 11.317 4.417 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 28 12.813 4.818 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.661 3.269 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.213 2.301 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 28 12.977 2.397 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.441 2.197 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.959 3.795 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.557 2.551 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.037 0.187 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.148 0.543 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.554 0.361 -2.171 1.00 0.00 H new ATOM 422 N ASP A 29 11.101 3.818 -4.112 1.00 0.00 N ATOM 423 CA ASP A 29 9.993 3.357 -4.983 1.00 0.00 C ATOM 424 C ASP A 29 9.791 1.863 -4.738 1.00 0.00 C ATOM 425 O ASP A 29 10.699 1.071 -4.892 1.00 0.00 O ATOM 426 CB ASP A 29 10.351 3.598 -6.451 1.00 0.00 C ATOM 427 CG ASP A 29 10.433 5.103 -6.716 1.00 0.00 C ATOM 428 OD1 ASP A 29 9.987 5.859 -5.869 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.940 5.473 -7.762 1.00 0.00 O ATOM 0 H ASP A 29 11.918 4.188 -4.598 1.00 0.00 H new ATOM 0 HA ASP A 29 9.079 3.906 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.304 3.124 -6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.601 3.144 -7.099 1.00 0.00 H new ATOM 434 N LEU A 30 8.616 1.473 -4.337 1.00 0.00 N ATOM 435 CA LEU A 30 8.372 0.032 -4.059 1.00 0.00 C ATOM 436 C LEU A 30 8.419 -0.770 -5.361 1.00 0.00 C ATOM 437 O LEU A 30 8.111 -1.945 -5.385 1.00 0.00 O ATOM 438 CB LEU A 30 7.001 -0.134 -3.400 1.00 0.00 C ATOM 439 CG LEU A 30 5.926 0.481 -4.296 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.761 -0.499 -4.443 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.421 1.778 -3.665 1.00 0.00 C ATOM 0 H LEU A 30 7.815 2.087 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 30 9.147 -0.339 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.791 -1.191 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.995 0.349 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 30 6.349 0.692 -5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.995 -0.060 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.120 -1.426 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.337 -0.710 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.654 2.218 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.998 1.564 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.250 2.478 -3.559 1.00 0.00 H new ATOM 453 N VAL A 31 8.805 -0.153 -6.446 1.00 0.00 N ATOM 454 CA VAL A 31 8.868 -0.901 -7.733 1.00 0.00 C ATOM 455 C VAL A 31 9.716 -2.154 -7.533 1.00 0.00 C ATOM 456 O VAL A 31 9.397 -3.218 -8.027 1.00 0.00 O ATOM 457 CB VAL A 31 9.495 -0.019 -8.814 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.006 0.065 -8.590 1.00 0.00 C ATOM 459 CG2 VAL A 31 9.218 -0.627 -10.191 1.00 0.00 C ATOM 0 H VAL A 31 9.077 0.829 -6.496 1.00 0.00 H new ATOM 0 HA VAL A 31 7.863 -1.182 -8.047 1.00 0.00 H new ATOM 0 HB VAL A 31 9.063 0.981 -8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.454 0.693 -9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.205 0.496 -7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.438 -0.935 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.664 0.001 -10.962 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.650 -1.626 -10.241 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.142 -0.689 -10.352 1.00 0.00 H new ATOM 469 N ASP A 32 10.780 -2.045 -6.790 1.00 0.00 N ATOM 470 CA ASP A 32 11.627 -3.242 -6.536 1.00 0.00 C ATOM 471 C ASP A 32 10.745 -4.304 -5.887 1.00 0.00 C ATOM 472 O ASP A 32 10.879 -5.487 -6.134 1.00 0.00 O ATOM 473 CB ASP A 32 12.774 -2.874 -5.592 1.00 0.00 C ATOM 474 CG ASP A 32 13.729 -1.911 -6.299 1.00 0.00 C ATOM 475 OD1 ASP A 32 13.603 -1.761 -7.504 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.570 -1.340 -5.625 1.00 0.00 O ATOM 0 H ASP A 32 11.099 -1.182 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 32 12.052 -3.615 -7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.380 -2.412 -4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.309 -3.773 -5.285 1.00 0.00 H new ATOM 481 N ASN A 33 9.827 -3.873 -5.068 1.00 0.00 N ATOM 482 CA ASN A 33 8.899 -4.820 -4.398 1.00 0.00 C ATOM 483 C ASN A 33 7.738 -5.117 -5.345 1.00 0.00 C ATOM 484 O ASN A 33 6.704 -5.613 -4.943 1.00 0.00 O ATOM 485 CB ASN A 33 8.366 -4.190 -3.114 1.00 0.00 C ATOM 486 CG ASN A 33 9.537 -3.834 -2.198 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.162 -4.704 -1.624 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.866 -2.583 -2.041 1.00 0.00 N ATOM 0 H ASN A 33 9.680 -2.891 -4.833 1.00 0.00 H new ATOM 0 HA ASN A 33 9.422 -5.744 -4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.788 -3.296 -3.348 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.692 -4.882 -2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.648 -2.333 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.341 -1.853 -2.523 1.00 0.00 H new ATOM 495 N GLY A 34 7.902 -4.797 -6.603 1.00 0.00 N ATOM 496 CA GLY A 34 6.816 -5.042 -7.594 1.00 0.00 C ATOM 497 C GLY A 34 6.193 -6.413 -7.342 1.00 0.00 C ATOM 498 O GLY A 34 5.117 -6.713 -7.814 1.00 0.00 O ATOM 0 H GLY A 34 8.747 -4.374 -6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.055 -4.265 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.216 -4.994 -8.607 1.00 0.00 H new ATOM 502 N VAL A 35 6.849 -7.246 -6.589 1.00 0.00 N ATOM 503 CA VAL A 35 6.270 -8.586 -6.302 1.00 0.00 C ATOM 504 C VAL A 35 4.844 -8.395 -5.787 1.00 0.00 C ATOM 505 O VAL A 35 3.952 -9.167 -6.080 1.00 0.00 O ATOM 506 CB VAL A 35 7.111 -9.289 -5.233 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.366 -10.526 -4.725 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.451 -9.715 -5.837 1.00 0.00 C ATOM 0 H VAL A 35 7.756 -7.060 -6.161 1.00 0.00 H new ATOM 0 HA VAL A 35 6.264 -9.194 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 35 7.286 -8.605 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.966 -11.025 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.411 -10.224 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.189 -11.211 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.050 -10.216 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.275 -10.398 -6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.984 -8.835 -6.198 1.00 0.00 H new ATOM 518 N ILE A 36 4.630 -7.364 -5.018 1.00 0.00 N ATOM 519 CA ILE A 36 3.271 -7.097 -4.468 1.00 0.00 C ATOM 520 C ILE A 36 2.328 -6.643 -5.585 1.00 0.00 C ATOM 521 O ILE A 36 1.127 -6.757 -5.479 1.00 0.00 O ATOM 522 CB ILE A 36 3.367 -5.972 -3.440 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.131 -6.000 -2.545 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.431 -4.632 -4.173 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.164 -4.815 -1.578 1.00 0.00 C ATOM 0 H ILE A 36 5.344 -6.689 -4.745 1.00 0.00 H new ATOM 0 HA ILE A 36 2.887 -8.010 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 36 4.261 -6.103 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.228 -5.959 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.096 -6.936 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.500 -3.823 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.307 -4.613 -4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.532 -4.503 -4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.279 -4.840 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.059 -4.876 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.177 -3.884 -2.144 1.00 0.00 H new ATOM 537 N ASP A 37 2.863 -6.096 -6.637 1.00 0.00 N ATOM 538 CA ASP A 37 1.998 -5.595 -7.745 1.00 0.00 C ATOM 539 C ASP A 37 1.152 -6.722 -8.349 1.00 0.00 C ATOM 540 O ASP A 37 0.063 -6.482 -8.832 1.00 0.00 O ATOM 541 CB ASP A 37 2.870 -4.972 -8.839 1.00 0.00 C ATOM 542 CG ASP A 37 3.553 -3.717 -8.295 1.00 0.00 C ATOM 543 OD1 ASP A 37 3.151 -3.258 -7.238 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.468 -3.235 -8.943 1.00 0.00 O ATOM 0 H ASP A 37 3.865 -5.972 -6.781 1.00 0.00 H new ATOM 0 HA ASP A 37 1.323 -4.845 -7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.619 -5.690 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.259 -4.720 -9.706 1.00 0.00 H new ATOM 549 N SER A 38 1.638 -7.938 -8.356 1.00 0.00 N ATOM 550 CA SER A 38 0.842 -9.046 -8.968 1.00 0.00 C ATOM 551 C SER A 38 0.339 -10.025 -7.904 1.00 0.00 C ATOM 552 O SER A 38 -0.850 -10.180 -7.707 1.00 0.00 O ATOM 553 CB SER A 38 1.717 -9.805 -9.968 1.00 0.00 C ATOM 554 OG SER A 38 1.412 -9.358 -11.296 1.00 0.00 O ATOM 0 H SER A 38 2.542 -8.210 -7.969 1.00 0.00 H new ATOM 0 HA SER A 38 -0.021 -8.607 -9.469 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.771 -9.637 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.541 -10.877 -9.883 1.00 0.00 H new ATOM 559 N LEU A 39 1.224 -10.708 -7.237 1.00 0.00 N ATOM 560 CA LEU A 39 0.778 -11.698 -6.216 1.00 0.00 C ATOM 561 C LEU A 39 0.146 -10.988 -5.020 1.00 0.00 C ATOM 562 O LEU A 39 -0.938 -11.326 -4.586 1.00 0.00 O ATOM 563 CB LEU A 39 1.978 -12.517 -5.740 1.00 0.00 C ATOM 564 CG LEU A 39 2.450 -13.458 -6.853 1.00 0.00 C ATOM 565 CD1 LEU A 39 3.389 -12.713 -7.806 1.00 0.00 C ATOM 566 CD2 LEU A 39 3.192 -14.642 -6.231 1.00 0.00 C ATOM 0 H LEU A 39 2.234 -10.625 -7.353 1.00 0.00 H new ATOM 0 HA LEU A 39 0.036 -12.355 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.790 -11.851 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.706 -13.094 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 39 1.585 -13.815 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.720 -13.390 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.862 -11.869 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.255 -12.349 -7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.530 -15.315 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.053 -14.278 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.522 -15.178 -5.559 1.00 0.00 H new ATOM 578 N GLY A 40 0.815 -10.014 -4.479 1.00 0.00 N ATOM 579 CA GLY A 40 0.256 -9.290 -3.306 1.00 0.00 C ATOM 580 C GLY A 40 -0.935 -8.436 -3.737 1.00 0.00 C ATOM 581 O GLY A 40 -1.917 -8.320 -3.031 1.00 0.00 O ATOM 0 H GLY A 40 1.727 -9.686 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.055 -10.003 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.024 -8.659 -2.859 1.00 0.00 H new ATOM 585 N LEU A 41 -0.851 -7.830 -4.886 1.00 0.00 N ATOM 586 CA LEU A 41 -1.972 -6.974 -5.358 1.00 0.00 C ATOM 587 C LEU A 41 -3.239 -7.815 -5.447 1.00 0.00 C ATOM 588 O LEU A 41 -4.312 -7.378 -5.086 1.00 0.00 O ATOM 589 CB LEU A 41 -1.629 -6.406 -6.740 1.00 0.00 C ATOM 590 CG LEU A 41 -2.651 -5.333 -7.143 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.948 -4.244 -7.956 1.00 0.00 C ATOM 592 CD2 LEU A 41 -3.754 -5.962 -8.002 1.00 0.00 C ATOM 0 H LEU A 41 -0.054 -7.890 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.130 -6.152 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.627 -5.977 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.622 -7.207 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.091 -4.902 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.671 -3.481 -8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.162 -3.790 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.510 -4.684 -8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.476 -5.196 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.313 -6.395 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.258 -6.743 -7.433 1.00 0.00 H new ATOM 604 N LEU A 42 -3.125 -9.024 -5.916 1.00 0.00 N ATOM 605 CA LEU A 42 -4.330 -9.892 -6.020 1.00 0.00 C ATOM 606 C LEU A 42 -4.884 -10.129 -4.614 1.00 0.00 C ATOM 607 O LEU A 42 -6.073 -10.046 -4.377 1.00 0.00 O ATOM 608 CB LEU A 42 -3.940 -11.229 -6.654 1.00 0.00 C ATOM 609 CG LEU A 42 -5.142 -11.831 -7.382 1.00 0.00 C ATOM 610 CD1 LEU A 42 -6.352 -11.882 -6.447 1.00 0.00 C ATOM 611 CD2 LEU A 42 -5.477 -10.970 -8.597 1.00 0.00 C ATOM 0 H LEU A 42 -2.253 -9.449 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.087 -9.412 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.116 -11.083 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.588 -11.917 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.897 -12.844 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.202 -12.312 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.115 -12.497 -5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.601 -10.873 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.334 -11.396 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.717 -9.958 -8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.620 -10.941 -9.270 1.00 0.00 H new ATOM 623 N LYS A 43 -4.024 -10.411 -3.674 1.00 0.00 N ATOM 624 CA LYS A 43 -4.488 -10.640 -2.281 1.00 0.00 C ATOM 625 C LYS A 43 -5.087 -9.347 -1.724 1.00 0.00 C ATOM 626 O LYS A 43 -6.028 -9.365 -0.956 1.00 0.00 O ATOM 627 CB LYS A 43 -3.302 -11.067 -1.421 1.00 0.00 C ATOM 628 CG LYS A 43 -2.775 -12.418 -1.909 1.00 0.00 C ATOM 629 CD LYS A 43 -1.662 -12.899 -0.976 1.00 0.00 C ATOM 630 CE LYS A 43 -1.054 -14.189 -1.530 1.00 0.00 C ATOM 631 NZ LYS A 43 -2.144 -15.142 -1.880 1.00 0.00 N ATOM 0 H LYS A 43 -3.017 -10.492 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.247 -11.422 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.513 -10.317 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.604 -11.139 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.584 -13.148 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.396 -12.326 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.893 -12.132 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.060 -13.072 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.451 -13.970 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.389 -14.636 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.759 -16.107 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.887 -15.102 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.548 -14.883 -2.803 1.00 0.00 H new ATOM 645 N VAL A 44 -4.536 -8.224 -2.099 1.00 0.00 N ATOM 646 CA VAL A 44 -5.058 -6.924 -1.587 1.00 0.00 C ATOM 647 C VAL A 44 -6.522 -6.744 -1.993 1.00 0.00 C ATOM 648 O VAL A 44 -7.343 -6.318 -1.208 1.00 0.00 O ATOM 649 CB VAL A 44 -4.227 -5.783 -2.172 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.884 -4.446 -1.829 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.819 -5.829 -1.577 1.00 0.00 C ATOM 0 H VAL A 44 -3.745 -8.151 -2.739 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.989 -6.916 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.169 -5.889 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.291 -3.632 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.889 -4.416 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.941 -4.336 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.222 -5.017 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.878 -5.720 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.352 -6.783 -1.821 1.00 0.00 H new ATOM 661 N ILE A 45 -6.855 -7.058 -3.212 1.00 0.00 N ATOM 662 CA ILE A 45 -8.261 -6.897 -3.663 1.00 0.00 C ATOM 663 C ILE A 45 -9.188 -7.757 -2.800 1.00 0.00 C ATOM 664 O ILE A 45 -10.243 -7.321 -2.382 1.00 0.00 O ATOM 665 CB ILE A 45 -8.370 -7.342 -5.122 1.00 0.00 C ATOM 666 CG1 ILE A 45 -7.418 -6.520 -5.999 1.00 0.00 C ATOM 667 CG2 ILE A 45 -9.800 -7.143 -5.601 1.00 0.00 C ATOM 668 CD1 ILE A 45 -7.650 -5.025 -5.770 1.00 0.00 C ATOM 0 H ILE A 45 -6.212 -7.420 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.554 -5.851 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.098 -8.395 -5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.384 -6.775 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.577 -6.764 -7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.883 -7.459 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.476 -7.738 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.068 -6.090 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.969 -4.451 -6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.679 -4.773 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.468 -4.785 -4.723 1.00 0.00 H new ATOM 680 N ALA A 46 -8.811 -8.976 -2.540 1.00 0.00 N ATOM 681 CA ALA A 46 -9.677 -9.866 -1.715 1.00 0.00 C ATOM 682 C ALA A 46 -9.751 -9.347 -0.277 1.00 0.00 C ATOM 683 O ALA A 46 -10.808 -9.304 0.322 1.00 0.00 O ATOM 684 CB ALA A 46 -9.085 -11.275 -1.712 1.00 0.00 C ATOM 0 H ALA A 46 -7.940 -9.397 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.681 -9.881 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.713 -11.932 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.039 -11.652 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.080 -11.247 -1.290 1.00 0.00 H new ATOM 690 N TRP A 47 -8.642 -8.957 0.286 1.00 0.00 N ATOM 691 CA TRP A 47 -8.660 -8.448 1.686 1.00 0.00 C ATOM 692 C TRP A 47 -9.278 -7.052 1.719 1.00 0.00 C ATOM 693 O TRP A 47 -10.050 -6.724 2.598 1.00 0.00 O ATOM 694 CB TRP A 47 -7.232 -8.385 2.227 1.00 0.00 C ATOM 695 CG TRP A 47 -7.119 -7.249 3.191 1.00 0.00 C ATOM 696 CD1 TRP A 47 -7.346 -7.328 4.522 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.758 -5.866 2.919 1.00 0.00 C ATOM 698 NE1 TRP A 47 -7.146 -6.079 5.084 1.00 0.00 N ATOM 699 CE2 TRP A 47 -6.781 -5.145 4.135 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.416 -5.175 1.744 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.474 -3.785 4.182 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.106 -3.808 1.787 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.134 -3.114 3.004 1.00 0.00 C ATOM 0 H TRP A 47 -7.725 -8.968 -0.161 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.254 -9.121 2.305 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -6.976 -9.323 2.720 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.526 -8.253 1.407 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.636 -8.219 5.058 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.255 -5.874 6.077 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.392 -5.701 0.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.499 -3.254 5.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.844 -3.288 0.878 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.893 -2.062 3.032 1.00 0.00 H new ATOM 714 N LEU A 48 -8.939 -6.224 0.771 1.00 0.00 N ATOM 715 CA LEU A 48 -9.498 -4.849 0.753 1.00 0.00 C ATOM 716 C LEU A 48 -11.026 -4.922 0.735 1.00 0.00 C ATOM 717 O LEU A 48 -11.698 -4.232 1.475 1.00 0.00 O ATOM 718 CB LEU A 48 -8.998 -4.132 -0.501 1.00 0.00 C ATOM 719 CG LEU A 48 -9.410 -2.669 -0.465 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.352 -1.878 0.296 1.00 0.00 C ATOM 721 CD2 LEU A 48 -9.514 -2.141 -1.895 1.00 0.00 C ATOM 0 H LEU A 48 -8.298 -6.443 0.008 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.179 -4.303 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.913 -4.211 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.406 -4.611 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.375 -2.564 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.637 -0.826 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.271 -2.263 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.391 -1.978 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.809 -1.092 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.547 -2.236 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.260 -2.717 -2.442 1.00 0.00 H new ATOM 733 N GLU A 49 -11.581 -5.765 -0.091 1.00 0.00 N ATOM 734 CA GLU A 49 -13.063 -5.891 -0.133 1.00 0.00 C ATOM 735 C GLU A 49 -13.548 -6.486 1.187 1.00 0.00 C ATOM 736 O GLU A 49 -14.533 -6.059 1.750 1.00 0.00 O ATOM 737 CB GLU A 49 -13.464 -6.799 -1.303 1.00 0.00 C ATOM 738 CG GLU A 49 -14.967 -7.065 -1.272 1.00 0.00 C ATOM 739 CD GLU A 49 -15.351 -7.960 -2.451 1.00 0.00 C ATOM 740 OE1 GLU A 49 -14.459 -8.364 -3.179 1.00 0.00 O ATOM 741 OE2 GLU A 49 -16.532 -8.226 -2.607 1.00 0.00 O ATOM 0 H GLU A 49 -11.073 -6.370 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.519 -4.911 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.190 -6.330 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.919 -7.741 -1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.243 -7.544 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.515 -6.124 -1.323 1.00 0.00 H new ATOM 748 N ASP A 50 -12.858 -7.464 1.691 1.00 0.00 N ATOM 749 CA ASP A 50 -13.275 -8.081 2.977 1.00 0.00 C ATOM 750 C ASP A 50 -13.261 -7.027 4.085 1.00 0.00 C ATOM 751 O ASP A 50 -14.090 -7.032 4.973 1.00 0.00 O ATOM 752 CB ASP A 50 -12.302 -9.201 3.334 1.00 0.00 C ATOM 753 CG ASP A 50 -12.839 -9.984 4.534 1.00 0.00 C ATOM 754 OD1 ASP A 50 -13.949 -9.701 4.952 1.00 0.00 O ATOM 755 OD2 ASP A 50 -12.130 -10.853 5.014 1.00 0.00 O ATOM 0 H ASP A 50 -12.021 -7.865 1.268 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.283 -8.484 2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.170 -9.867 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.322 -8.785 3.568 1.00 0.00 H new ATOM 760 N ARG A 51 -12.307 -6.139 4.053 1.00 0.00 N ATOM 761 CA ARG A 51 -12.214 -5.101 5.118 1.00 0.00 C ATOM 762 C ARG A 51 -13.081 -3.876 4.792 1.00 0.00 C ATOM 763 O ARG A 51 -13.808 -3.389 5.635 1.00 0.00 O ATOM 764 CB ARG A 51 -10.755 -4.663 5.262 1.00 0.00 C ATOM 765 CG ARG A 51 -10.620 -3.719 6.459 1.00 0.00 C ATOM 766 CD ARG A 51 -9.166 -3.265 6.590 1.00 0.00 C ATOM 767 NE ARG A 51 -9.012 -2.441 7.822 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.948 -3.020 8.990 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.018 -4.320 9.079 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.813 -2.299 10.069 1.00 0.00 N ATOM 0 H ARG A 51 -11.586 -6.087 3.334 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.579 -5.534 6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.115 -5.534 5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.423 -4.163 4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.271 -2.855 6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.938 -4.224 7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.506 -4.131 6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.874 -2.686 5.714 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.957 -1.425 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.123 -4.884 8.236 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.968 -4.772 9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.758 -1.283 10.000 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.763 -2.751 10.982 1.00 0.00 H new ATOM 784 N PHE A 52 -12.990 -3.345 3.598 1.00 0.00 N ATOM 785 CA PHE A 52 -13.785 -2.128 3.268 1.00 0.00 C ATOM 786 C PHE A 52 -15.032 -2.473 2.444 1.00 0.00 C ATOM 787 O PHE A 52 -15.876 -1.629 2.218 1.00 0.00 O ATOM 788 CB PHE A 52 -12.902 -1.172 2.470 1.00 0.00 C ATOM 789 CG PHE A 52 -11.804 -0.635 3.357 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.067 0.426 4.231 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.523 -1.198 3.304 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.049 0.925 5.053 1.00 0.00 C ATOM 793 CE2 PHE A 52 -9.505 -0.699 4.125 1.00 0.00 C ATOM 794 CZ PHE A 52 -9.768 0.362 5.000 1.00 0.00 C ATOM 0 H PHE A 52 -12.403 -3.701 2.844 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.117 -1.667 4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.470 -1.689 1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.501 -0.350 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.055 0.860 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.320 -2.017 2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.252 1.744 5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.517 -1.132 4.084 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.983 0.746 5.634 1.00 0.00 H new ATOM 804 N GLY A 53 -15.168 -3.686 1.991 1.00 0.00 N ATOM 805 CA GLY A 53 -16.378 -4.031 1.186 1.00 0.00 C ATOM 806 C GLY A 53 -16.269 -3.386 -0.197 1.00 0.00 C ATOM 807 O GLY A 53 -17.260 -3.137 -0.855 1.00 0.00 O ATOM 0 H GLY A 53 -14.505 -4.447 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.467 -5.113 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.277 -3.681 1.693 1.00 0.00 H new ATOM 811 N ILE A 54 -15.074 -3.108 -0.643 1.00 0.00 N ATOM 812 CA ILE A 54 -14.908 -2.472 -1.984 1.00 0.00 C ATOM 813 C ILE A 54 -15.008 -3.532 -3.083 1.00 0.00 C ATOM 814 O ILE A 54 -14.691 -4.686 -2.882 1.00 0.00 O ATOM 815 CB ILE A 54 -13.548 -1.780 -2.058 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.501 -0.651 -1.027 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.344 -1.200 -3.459 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.077 -0.101 -0.933 1.00 0.00 C ATOM 0 H ILE A 54 -14.207 -3.293 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.698 -1.735 -2.129 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.759 -2.502 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.191 0.144 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.824 -1.020 -0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.373 -0.707 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.382 -2.004 -4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.131 -0.476 -3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.045 0.703 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.399 -0.898 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.771 0.284 -1.906 1.00 0.00 H new ATOM 830 N ALA A 55 -15.453 -3.144 -4.246 1.00 0.00 N ATOM 831 CA ALA A 55 -15.589 -4.119 -5.365 1.00 0.00 C ATOM 832 C ALA A 55 -14.218 -4.698 -5.714 1.00 0.00 C ATOM 833 O ALA A 55 -13.196 -4.078 -5.499 1.00 0.00 O ATOM 834 CB ALA A 55 -16.169 -3.409 -6.590 1.00 0.00 C ATOM 0 H ALA A 55 -15.730 -2.188 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.255 -4.927 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.269 -4.121 -7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.149 -2.999 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.503 -2.600 -6.891 1.00 0.00 H new ATOM 840 N ALA A 56 -14.192 -5.891 -6.241 1.00 0.00 N ATOM 841 CA ALA A 56 -12.892 -6.524 -6.594 1.00 0.00 C ATOM 842 C ALA A 56 -12.145 -5.657 -7.609 1.00 0.00 C ATOM 843 O ALA A 56 -10.931 -5.601 -7.612 1.00 0.00 O ATOM 844 CB ALA A 56 -13.148 -7.907 -7.197 1.00 0.00 C ATOM 0 H ALA A 56 -15.017 -6.455 -6.443 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.286 -6.621 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.197 -8.373 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.671 -8.529 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.759 -7.805 -8.094 1.00 0.00 H new ATOM 850 N ASP A 57 -12.851 -4.982 -8.472 1.00 0.00 N ATOM 851 CA ASP A 57 -12.162 -4.128 -9.479 1.00 0.00 C ATOM 852 C ASP A 57 -13.041 -2.928 -9.835 1.00 0.00 C ATOM 853 O ASP A 57 -13.423 -2.744 -10.974 1.00 0.00 O ATOM 854 CB ASP A 57 -11.889 -4.949 -10.738 1.00 0.00 C ATOM 855 CG ASP A 57 -11.049 -4.126 -11.715 1.00 0.00 C ATOM 856 OD1 ASP A 57 -10.633 -3.042 -11.341 1.00 0.00 O ATOM 857 OD2 ASP A 57 -10.835 -4.593 -12.822 1.00 0.00 O ATOM 0 H ASP A 57 -13.870 -4.984 -8.524 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.221 -3.770 -9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.365 -5.869 -10.478 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.830 -5.239 -11.206 1.00 0.00 H new ATOM 862 N ASP A 58 -13.359 -2.105 -8.875 1.00 0.00 N ATOM 863 CA ASP A 58 -14.204 -0.914 -9.168 1.00 0.00 C ATOM 864 C ASP A 58 -13.495 -0.037 -10.202 1.00 0.00 C ATOM 865 O ASP A 58 -14.114 0.534 -11.078 1.00 0.00 O ATOM 866 CB ASP A 58 -14.423 -0.115 -7.884 1.00 0.00 C ATOM 867 CG ASP A 58 -15.476 0.968 -8.130 1.00 0.00 C ATOM 868 OD1 ASP A 58 -16.043 0.981 -9.210 1.00 0.00 O ATOM 869 OD2 ASP A 58 -15.699 1.764 -7.233 1.00 0.00 O ATOM 0 H ASP A 58 -13.071 -2.205 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.168 -1.236 -9.561 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.748 -0.778 -7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.486 0.340 -7.562 1.00 0.00 H new ATOM 874 N VAL A 59 -12.198 0.068 -10.103 1.00 0.00 N ATOM 875 CA VAL A 59 -11.431 0.901 -11.073 1.00 0.00 C ATOM 876 C VAL A 59 -10.248 0.091 -11.606 1.00 0.00 C ATOM 877 O VAL A 59 -9.848 -0.896 -11.021 1.00 0.00 O ATOM 878 CB VAL A 59 -10.915 2.158 -10.370 1.00 0.00 C ATOM 879 CG1 VAL A 59 -12.092 2.930 -9.773 1.00 0.00 C ATOM 880 CG2 VAL A 59 -9.951 1.756 -9.252 1.00 0.00 C ATOM 0 H VAL A 59 -11.633 -0.390 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.079 1.191 -11.900 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.395 2.789 -11.091 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.723 3.825 -9.272 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.780 3.216 -10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.613 2.300 -9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.582 2.651 -8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.472 1.125 -8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.111 1.206 -9.676 1.00 0.00 H new ATOM 890 N GLU A 60 -9.682 0.495 -12.711 1.00 0.00 N ATOM 891 CA GLU A 60 -8.527 -0.262 -13.270 1.00 0.00 C ATOM 892 C GLU A 60 -7.238 0.183 -12.576 1.00 0.00 C ATOM 893 O GLU A 60 -7.014 1.356 -12.354 1.00 0.00 O ATOM 894 CB GLU A 60 -8.415 0.006 -14.771 1.00 0.00 C ATOM 895 CG GLU A 60 -7.300 -0.854 -15.355 1.00 0.00 C ATOM 896 CD GLU A 60 -7.135 -0.541 -16.843 1.00 0.00 C ATOM 897 OE1 GLU A 60 -7.847 0.322 -17.329 1.00 0.00 O ATOM 898 OE2 GLU A 60 -6.299 -1.170 -17.471 1.00 0.00 O ATOM 0 H GLU A 60 -9.968 1.313 -13.249 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.681 -1.328 -13.103 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.360 -0.220 -15.264 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.207 1.061 -14.949 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.366 -0.663 -14.827 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.533 -1.910 -15.219 1.00 0.00 H new ATOM 905 N LEU A 61 -6.394 -0.749 -12.228 1.00 0.00 N ATOM 906 CA LEU A 61 -5.123 -0.390 -11.543 1.00 0.00 C ATOM 907 C LEU A 61 -3.955 -0.510 -12.525 1.00 0.00 C ATOM 908 O LEU A 61 -3.924 -1.391 -13.361 1.00 0.00 O ATOM 909 CB LEU A 61 -4.899 -1.340 -10.365 1.00 0.00 C ATOM 910 CG LEU A 61 -6.157 -1.388 -9.502 1.00 0.00 C ATOM 911 CD1 LEU A 61 -5.869 -2.167 -8.218 1.00 0.00 C ATOM 912 CD2 LEU A 61 -6.592 0.037 -9.151 1.00 0.00 C ATOM 0 H LEU A 61 -6.532 -1.747 -12.390 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.183 0.636 -11.181 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.658 -2.338 -10.730 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.050 -1.004 -9.770 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.955 -1.884 -10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.768 -2.200 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.564 -3.183 -8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.069 -1.674 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.490 0.002 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.794 0.536 -8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.802 0.589 -10.067 1.00 0.00 H new ATOM 924 N SER A 62 -2.992 0.368 -12.424 1.00 0.00 N ATOM 925 CA SER A 62 -1.821 0.310 -13.343 1.00 0.00 C ATOM 926 C SER A 62 -0.530 0.336 -12.520 1.00 0.00 C ATOM 927 O SER A 62 -0.532 0.707 -11.363 1.00 0.00 O ATOM 928 CB SER A 62 -1.852 1.516 -14.283 1.00 0.00 C ATOM 929 OG SER A 62 -2.057 1.068 -15.616 1.00 0.00 O ATOM 0 H SER A 62 -2.968 1.125 -11.741 1.00 0.00 H new ATOM 0 HA SER A 62 -1.861 -0.608 -13.930 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.649 2.199 -13.990 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.916 2.070 -14.213 1.00 0.00 H new ATOM 0 HG SER A 62 -2.079 1.839 -16.220 1.00 0.00 H new ATOM 935 N PRO A 63 0.564 -0.056 -13.116 1.00 0.00 N ATOM 936 CA PRO A 63 1.890 -0.081 -12.432 1.00 0.00 C ATOM 937 C PRO A 63 2.288 1.300 -11.904 1.00 0.00 C ATOM 938 O PRO A 63 3.004 1.422 -10.930 1.00 0.00 O ATOM 939 CB PRO A 63 2.872 -0.542 -13.518 1.00 0.00 C ATOM 940 CG PRO A 63 2.147 -0.410 -14.818 1.00 0.00 C ATOM 941 CD PRO A 63 0.657 -0.517 -14.505 1.00 0.00 C ATOM 0 HA PRO A 63 1.878 -0.737 -11.561 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.775 0.069 -13.512 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.184 -1.573 -13.349 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.375 0.545 -15.292 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.453 -1.192 -15.513 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.061 0.103 -15.174 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.297 -1.540 -14.613 1.00 0.00 H new ATOM 949 N GLU A 64 1.823 2.339 -12.539 1.00 0.00 N ATOM 950 CA GLU A 64 2.165 3.713 -12.075 1.00 0.00 C ATOM 951 C GLU A 64 1.578 3.938 -10.681 1.00 0.00 C ATOM 952 O GLU A 64 2.109 4.684 -9.883 1.00 0.00 O ATOM 953 CB GLU A 64 1.581 4.738 -13.046 1.00 0.00 C ATOM 954 CG GLU A 64 2.246 4.588 -14.409 1.00 0.00 C ATOM 955 CD GLU A 64 1.712 5.661 -15.361 1.00 0.00 C ATOM 956 OE1 GLU A 64 0.765 6.335 -14.990 1.00 0.00 O ATOM 957 OE2 GLU A 64 2.259 5.790 -16.443 1.00 0.00 O ATOM 0 H GLU A 64 1.220 2.296 -13.361 1.00 0.00 H new ATOM 0 HA GLU A 64 3.248 3.826 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.504 4.595 -13.138 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.737 5.747 -12.663 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.327 4.681 -14.310 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.047 3.596 -14.815 1.00 0.00 H new ATOM 964 N HIS A 65 0.481 3.298 -10.388 1.00 0.00 N ATOM 965 CA HIS A 65 -0.156 3.469 -9.052 1.00 0.00 C ATOM 966 C HIS A 65 0.735 2.858 -7.967 1.00 0.00 C ATOM 967 O HIS A 65 0.699 3.263 -6.822 1.00 0.00 O ATOM 968 CB HIS A 65 -1.512 2.760 -9.053 1.00 0.00 C ATOM 969 CG HIS A 65 -2.123 2.825 -7.681 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.529 2.230 -6.576 1.00 0.00 N ATOM 971 CD2 HIS A 65 -3.284 3.397 -7.221 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.329 2.454 -5.517 1.00 0.00 C ATOM 973 NE2 HIS A 65 -3.409 3.158 -5.858 1.00 0.00 N ATOM 0 H HIS A 65 -0.004 2.661 -11.019 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.290 4.531 -8.847 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.177 3.228 -9.779 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.389 1.721 -9.357 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.647 1.717 -6.568 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.990 3.947 -7.825 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.122 2.107 -4.516 1.00 0.00 H new ATOM 982 N PHE A 66 1.527 1.880 -8.316 1.00 0.00 N ATOM 983 CA PHE A 66 2.410 1.235 -7.302 1.00 0.00 C ATOM 984 C PHE A 66 3.861 1.677 -7.510 1.00 0.00 C ATOM 985 O PHE A 66 4.763 1.194 -6.855 1.00 0.00 O ATOM 986 CB PHE A 66 2.309 -0.283 -7.449 1.00 0.00 C ATOM 987 CG PHE A 66 0.888 -0.712 -7.181 1.00 0.00 C ATOM 988 CD1 PHE A 66 0.470 -0.972 -5.870 1.00 0.00 C ATOM 989 CD2 PHE A 66 -0.015 -0.844 -8.243 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.851 -1.363 -5.622 1.00 0.00 C ATOM 991 CE2 PHE A 66 -1.335 -1.236 -7.994 1.00 0.00 C ATOM 992 CZ PHE A 66 -1.754 -1.496 -6.684 1.00 0.00 C ATOM 0 H PHE A 66 1.601 1.500 -9.260 1.00 0.00 H new ATOM 0 HA PHE A 66 2.093 1.533 -6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.610 -0.584 -8.452 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.988 -0.774 -6.752 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.166 -0.871 -5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.307 -0.643 -9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.174 -1.562 -4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.031 -1.338 -8.813 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.773 -1.799 -6.492 1.00 0.00 H new ATOM 1002 N ARG A 67 4.098 2.585 -8.416 1.00 0.00 N ATOM 1003 CA ARG A 67 5.496 3.043 -8.658 1.00 0.00 C ATOM 1004 C ARG A 67 6.097 3.575 -7.353 1.00 0.00 C ATOM 1005 O ARG A 67 7.253 3.347 -7.057 1.00 0.00 O ATOM 1006 CB ARG A 67 5.492 4.153 -9.717 1.00 0.00 C ATOM 1007 CG ARG A 67 6.925 4.585 -10.055 1.00 0.00 C ATOM 1008 CD ARG A 67 7.569 3.580 -11.018 1.00 0.00 C ATOM 1009 NE ARG A 67 8.934 4.053 -11.385 1.00 0.00 N ATOM 1010 CZ ARG A 67 9.080 4.997 -12.274 1.00 0.00 C ATOM 1011 NH1 ARG A 67 8.031 5.528 -12.840 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.275 5.411 -12.596 1.00 0.00 N ATOM 0 H ARG A 67 3.387 3.029 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 67 6.097 2.206 -9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.991 3.801 -10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.925 5.009 -9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.916 5.577 -10.506 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.516 4.655 -9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.626 2.597 -10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.956 3.473 -11.913 1.00 0.00 H new ATOM 0 HE ARG A 67 9.754 3.639 -10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.097 5.205 -12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.145 6.266 -13.535 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.095 4.997 -12.153 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.389 6.149 -13.291 1.00 0.00 H new ATOM 1026 N SER A 68 5.328 4.283 -6.570 1.00 0.00 N ATOM 1027 CA SER A 68 5.873 4.823 -5.291 1.00 0.00 C ATOM 1028 C SER A 68 4.811 4.732 -4.193 1.00 0.00 C ATOM 1029 O SER A 68 3.626 4.722 -4.459 1.00 0.00 O ATOM 1030 CB SER A 68 6.276 6.285 -5.488 1.00 0.00 C ATOM 1031 OG SER A 68 5.109 7.069 -5.702 1.00 0.00 O ATOM 0 H SER A 68 4.352 4.510 -6.759 1.00 0.00 H new ATOM 0 HA SER A 68 6.744 4.238 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.816 6.647 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.951 6.377 -6.339 1.00 0.00 H new ATOM 0 HG SER A 68 5.363 8.007 -5.827 1.00 0.00 H new ATOM 1037 N ILE A 69 5.231 4.669 -2.958 1.00 0.00 N ATOM 1038 CA ILE A 69 4.261 4.583 -1.838 1.00 0.00 C ATOM 1039 C ILE A 69 3.391 5.842 -1.805 1.00 0.00 C ATOM 1040 O ILE A 69 2.219 5.790 -1.491 1.00 0.00 O ATOM 1041 CB ILE A 69 5.030 4.462 -0.523 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.883 3.198 -0.542 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.049 4.374 0.631 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.781 3.165 0.696 1.00 0.00 C ATOM 0 H ILE A 69 6.212 4.674 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 69 3.621 3.712 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 69 5.669 5.336 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.243 2.316 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.492 3.172 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.597 4.288 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.432 5.272 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.412 3.499 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.390 2.261 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.431 4.040 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.163 3.171 1.594 1.00 0.00 H new ATOM 1056 N ARG A 70 3.959 6.976 -2.116 1.00 0.00 N ATOM 1057 CA ARG A 70 3.165 8.237 -2.087 1.00 0.00 C ATOM 1058 C ARG A 70 2.005 8.145 -3.081 1.00 0.00 C ATOM 1059 O ARG A 70 0.912 8.603 -2.812 1.00 0.00 O ATOM 1060 CB ARG A 70 4.067 9.413 -2.468 1.00 0.00 C ATOM 1061 CG ARG A 70 5.162 9.580 -1.413 1.00 0.00 C ATOM 1062 CD ARG A 70 5.988 10.829 -1.728 1.00 0.00 C ATOM 1063 NE ARG A 70 6.543 10.723 -3.106 1.00 0.00 N ATOM 1064 CZ ARG A 70 7.437 11.580 -3.518 1.00 0.00 C ATOM 1065 NH1 ARG A 70 7.846 12.530 -2.721 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.923 11.487 -4.725 1.00 0.00 N ATOM 0 H ARG A 70 4.936 7.083 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 70 2.767 8.388 -1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.514 9.240 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.478 10.327 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.717 9.666 -0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.805 8.700 -1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.366 11.720 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.797 10.934 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 70 6.224 9.980 -3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.467 12.602 -1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.545 13.200 -3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.604 10.744 -5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.622 12.157 -5.047 1.00 0.00 H new ATOM 1080 N SER A 71 2.227 7.558 -4.225 1.00 0.00 N ATOM 1081 CA SER A 71 1.127 7.444 -5.220 1.00 0.00 C ATOM 1082 C SER A 71 0.009 6.579 -4.638 1.00 0.00 C ATOM 1083 O SER A 71 -1.161 6.836 -4.843 1.00 0.00 O ATOM 1084 CB SER A 71 1.667 6.795 -6.493 1.00 0.00 C ATOM 1085 OG SER A 71 1.985 5.435 -6.228 1.00 0.00 O ATOM 0 H SER A 71 3.119 7.154 -4.512 1.00 0.00 H new ATOM 0 HA SER A 71 0.735 8.434 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.926 6.859 -7.290 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.553 7.327 -6.839 1.00 0.00 H new ATOM 0 HG SER A 71 2.827 5.387 -5.728 1.00 0.00 H new ATOM 1091 N ILE A 72 0.362 5.559 -3.905 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.668 4.680 -3.299 1.00 0.00 C ATOM 1093 C ILE A 72 -1.436 5.460 -2.231 1.00 0.00 C ATOM 1094 O ILE A 72 -2.634 5.316 -2.081 1.00 0.00 O ATOM 1095 CB ILE A 72 0.024 3.480 -2.656 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.828 2.726 -3.718 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.027 2.552 -2.060 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.613 1.591 -3.056 1.00 0.00 C ATOM 0 H ILE A 72 1.327 5.298 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.364 4.338 -4.065 1.00 0.00 H new ATOM 0 HB ILE A 72 0.696 3.824 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.158 2.324 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.511 3.408 -4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.536 1.694 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.601 3.089 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.697 2.207 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.185 1.055 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.294 2.005 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.920 0.904 -2.571 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.751 6.282 -1.484 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.427 7.069 -0.420 1.00 0.00 C ATOM 1112 C ASP A 73 -2.534 7.928 -1.035 1.00 0.00 C ATOM 1113 O ASP A 73 -3.594 8.090 -0.465 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.400 7.974 0.260 1.00 0.00 C ATOM 1115 CG ASP A 73 0.622 7.117 1.008 1.00 0.00 C ATOM 1116 OD1 ASP A 73 0.398 5.922 1.114 1.00 0.00 O ATOM 1117 OD2 ASP A 73 1.612 7.668 1.459 1.00 0.00 O ATOM 0 H ASP A 73 0.253 6.441 -1.567 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.866 6.391 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.103 8.593 -0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.899 8.651 0.953 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.297 8.482 -2.192 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.340 9.332 -2.832 1.00 0.00 C ATOM 1124 C ALA A 74 -4.566 8.479 -3.155 1.00 0.00 C ATOM 1125 O ALA A 74 -5.691 8.886 -2.940 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.784 9.937 -4.123 1.00 0.00 C ATOM 0 H ALA A 74 -1.430 8.384 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.625 10.133 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.547 10.559 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.910 10.547 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.498 9.137 -4.806 1.00 0.00 H new ATOM 1132 N PHE A 75 -4.361 7.298 -3.664 1.00 0.00 N ATOM 1133 CA PHE A 75 -5.518 6.421 -3.994 1.00 0.00 C ATOM 1134 C PHE A 75 -6.261 6.055 -2.708 1.00 0.00 C ATOM 1135 O PHE A 75 -7.467 6.166 -2.622 1.00 0.00 O ATOM 1136 CB PHE A 75 -5.016 5.148 -4.670 1.00 0.00 C ATOM 1137 CG PHE A 75 -6.194 4.318 -5.122 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -6.796 4.573 -6.360 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -6.683 3.293 -4.304 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -7.888 3.804 -6.779 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -7.774 2.523 -4.723 1.00 0.00 C ATOM 1142 CZ PHE A 75 -8.377 2.779 -5.961 1.00 0.00 C ATOM 0 H PHE A 75 -3.443 6.902 -3.866 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.193 6.948 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.387 5.401 -5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.399 4.575 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.418 5.363 -6.992 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.218 3.096 -3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.353 4.002 -7.733 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.151 1.732 -4.092 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.219 2.185 -6.284 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.545 5.621 -1.707 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.196 5.251 -0.426 1.00 0.00 C ATOM 1154 C VAL A 76 -6.835 6.490 0.201 1.00 0.00 C ATOM 1155 O VAL A 76 -7.922 6.435 0.741 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.141 4.682 0.520 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -5.746 4.515 1.909 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.671 3.321 0.002 1.00 0.00 C ATOM 0 H VAL A 76 -4.532 5.507 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.969 4.504 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.292 5.363 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.995 4.109 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.082 5.484 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.594 3.833 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.918 2.915 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.519 2.638 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.241 3.439 -0.992 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.167 7.610 0.137 1.00 0.00 N ATOM 1169 CA VAL A 77 -6.728 8.849 0.728 1.00 0.00 C ATOM 1170 C VAL A 77 -8.067 9.178 0.065 1.00 0.00 C ATOM 1171 O VAL A 77 -9.021 9.550 0.719 1.00 0.00 O ATOM 1172 CB VAL A 77 -5.747 9.994 0.489 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.409 11.314 0.869 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -4.498 9.784 1.348 1.00 0.00 C ATOM 0 H VAL A 77 -5.253 7.716 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.886 8.709 1.797 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.463 10.017 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.711 12.133 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.299 11.464 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.691 11.290 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.797 10.601 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.780 9.761 2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.026 8.839 1.079 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.142 9.050 -1.231 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.414 9.361 -1.941 1.00 0.00 C ATOM 1186 C GLY A 78 -10.531 8.428 -1.466 1.00 0.00 C ATOM 1187 O GLY A 78 -11.669 8.832 -1.326 1.00 0.00 O ATOM 0 H GLY A 78 -7.376 8.743 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.696 10.398 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.274 9.253 -3.017 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.225 7.181 -1.225 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.286 6.234 -0.772 1.00 0.00 C ATOM 1193 C ALA A 79 -11.541 6.419 0.723 1.00 0.00 C ATOM 1194 O ALA A 79 -12.664 6.580 1.158 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.832 4.797 -1.036 1.00 0.00 C ATOM 0 H ALA A 79 -9.293 6.779 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.206 6.435 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.606 4.104 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.655 4.661 -2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.911 4.600 -0.488 1.00 0.00 H new ATOM 1201 N THR A 80 -10.503 6.410 1.510 1.00 0.00 N ATOM 1202 CA THR A 80 -10.673 6.598 2.977 1.00 0.00 C ATOM 1203 C THR A 80 -9.633 7.602 3.465 1.00 0.00 C ATOM 1204 O THR A 80 -8.546 7.682 2.931 1.00 0.00 O ATOM 1205 CB THR A 80 -10.471 5.260 3.693 1.00 0.00 C ATOM 1206 OG1 THR A 80 -9.086 4.945 3.721 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.232 4.161 2.951 1.00 0.00 C ATOM 0 H THR A 80 -9.540 6.280 1.199 1.00 0.00 H new ATOM 0 HA THR A 80 -11.676 6.968 3.191 1.00 0.00 H new ATOM 0 HB THR A 80 -10.848 5.333 4.713 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.954 4.090 4.181 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.087 3.209 3.462 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.294 4.404 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.858 4.085 1.930 1.00 0.00 H new ATOM 1215 N THR A 81 -9.946 8.367 4.472 1.00 0.00 N ATOM 1216 CA THR A 81 -8.957 9.357 4.975 1.00 0.00 C ATOM 1217 C THR A 81 -9.008 9.412 6.506 1.00 0.00 C ATOM 1218 O THR A 81 -9.717 10.216 7.078 1.00 0.00 O ATOM 1219 CB THR A 81 -9.293 10.734 4.398 1.00 0.00 C ATOM 1220 OG1 THR A 81 -8.514 11.725 5.052 1.00 0.00 O ATOM 1221 CG2 THR A 81 -10.779 11.027 4.607 1.00 0.00 C ATOM 0 H THR A 81 -10.838 8.350 4.966 1.00 0.00 H new ATOM 0 HA THR A 81 -7.954 9.062 4.665 1.00 0.00 H new ATOM 0 HB THR A 81 -9.070 10.745 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.655 11.340 5.323 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.018 12.008 4.196 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.374 10.267 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.006 11.015 5.673 1.00 0.00 H new ATOM 1229 N PRO A 82 -8.251 8.572 7.166 1.00 0.00 N ATOM 1230 CA PRO A 82 -8.199 8.534 8.648 1.00 0.00 C ATOM 1231 C PRO A 82 -7.178 9.535 9.211 1.00 0.00 C ATOM 1232 O PRO A 82 -6.202 9.857 8.563 1.00 0.00 O ATOM 1233 CB PRO A 82 -7.769 7.098 8.947 1.00 0.00 C ATOM 1234 CG PRO A 82 -6.998 6.639 7.745 1.00 0.00 C ATOM 1235 CD PRO A 82 -7.366 7.561 6.573 1.00 0.00 C ATOM 0 HA PRO A 82 -9.150 8.808 9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.154 7.054 9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.635 6.460 9.122 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.926 6.678 7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.241 5.603 7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.479 8.018 6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -7.868 7.011 5.777 1.00 0.00 H new ATOM 1243 N PRO A 83 -7.401 10.028 10.404 1.00 0.00 N ATOM 1244 CA PRO A 83 -6.480 11.010 11.050 1.00 0.00 C ATOM 1245 C PRO A 83 -5.123 10.390 11.397 1.00 0.00 C ATOM 1246 O PRO A 83 -5.045 9.282 11.888 1.00 0.00 O ATOM 1247 CB PRO A 83 -7.217 11.429 12.326 1.00 0.00 C ATOM 1248 CG PRO A 83 -8.184 10.328 12.613 1.00 0.00 C ATOM 1249 CD PRO A 83 -8.548 9.703 11.267 1.00 0.00 C ATOM 0 HA PRO A 83 -6.256 11.845 10.386 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.521 11.565 13.154 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.734 12.378 12.186 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.740 9.586 13.277 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -9.072 10.713 13.114 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.691 8.626 11.352 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -9.475 10.117 10.872 1.00 0.00 H new ATOM 1257 N VAL A 84 -4.052 11.099 11.149 1.00 0.00 N ATOM 1258 CA VAL A 84 -2.703 10.549 11.470 1.00 0.00 C ATOM 1259 C VAL A 84 -1.870 11.619 12.180 1.00 0.00 C ATOM 1260 O VAL A 84 -1.896 12.779 11.819 1.00 0.00 O ATOM 1261 CB VAL A 84 -2.000 10.138 10.175 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.683 11.384 9.345 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -0.700 9.405 10.513 1.00 0.00 C ATOM 0 H VAL A 84 -4.054 12.033 10.739 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.811 9.681 12.120 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.652 9.479 9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.182 11.089 8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.609 11.906 9.104 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.032 12.046 9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.198 9.111 9.591 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.049 10.065 11.087 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.926 8.516 11.102 1.00 0.00 H new ATOM 1273 N GLU A 85 -1.124 11.240 13.182 1.00 0.00 N ATOM 1274 CA GLU A 85 -0.286 12.239 13.903 1.00 0.00 C ATOM 1275 C GLU A 85 0.803 12.761 12.962 1.00 0.00 C ATOM 1276 O GLU A 85 1.174 13.917 13.003 1.00 0.00 O ATOM 1277 CB GLU A 85 0.365 11.577 15.119 1.00 0.00 C ATOM 1278 CG GLU A 85 -0.719 11.156 16.113 1.00 0.00 C ATOM 1279 CD GLU A 85 -0.065 10.554 17.358 1.00 0.00 C ATOM 1280 OE1 GLU A 85 1.135 10.338 17.327 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -0.776 10.320 18.322 1.00 0.00 O ATOM 0 H GLU A 85 -1.059 10.284 13.532 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.911 13.069 14.234 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.944 10.708 14.807 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.060 12.269 15.594 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.328 12.017 16.389 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.387 10.428 15.652 1.00 0.00 H new ATOM 1288 N ALA A 86 1.318 11.912 12.114 1.00 0.00 N ATOM 1289 CA ALA A 86 2.383 12.348 11.167 1.00 0.00 C ATOM 1290 C ALA A 86 3.076 11.114 10.584 1.00 0.00 C ATOM 1291 O ALA A 86 3.114 10.067 11.198 1.00 0.00 O ATOM 1292 CB ALA A 86 3.409 13.206 11.911 1.00 0.00 C ATOM 0 H ALA A 86 1.046 10.932 12.037 1.00 0.00 H new ATOM 0 HA ALA A 86 1.939 12.933 10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.188 13.525 11.218 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.915 14.083 12.330 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.856 12.622 12.716 1.00 0.00 H new ATOM 1298 N LYS A 87 3.624 11.224 9.404 1.00 0.00 N ATOM 1299 CA LYS A 87 4.310 10.050 8.793 1.00 0.00 C ATOM 1300 C LYS A 87 5.662 9.838 9.477 1.00 0.00 C ATOM 1301 O LYS A 87 6.418 10.766 9.681 1.00 0.00 O ATOM 1302 CB LYS A 87 4.527 10.298 7.298 1.00 0.00 C ATOM 1303 CG LYS A 87 5.041 9.015 6.639 1.00 0.00 C ATOM 1304 CD LYS A 87 5.302 9.268 5.152 1.00 0.00 C ATOM 1305 CE LYS A 87 5.677 7.951 4.466 1.00 0.00 C ATOM 1306 NZ LYS A 87 5.726 6.859 5.479 1.00 0.00 N ATOM 0 H LYS A 87 3.626 12.073 8.839 1.00 0.00 H new ATOM 0 HA LYS A 87 3.691 9.162 8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.593 10.611 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.243 11.107 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.958 8.685 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.310 8.215 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.415 9.694 4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.106 9.994 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.948 7.711 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.644 8.048 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.046 5.979 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.388 7.119 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.778 6.716 5.881 1.00 0.00 H new ATOM 1320 N LEU A 88 5.971 8.621 9.833 1.00 0.00 N ATOM 1321 CA LEU A 88 7.274 8.348 10.504 1.00 0.00 C ATOM 1322 C LEU A 88 8.309 7.931 9.458 1.00 0.00 C ATOM 1323 O LEU A 88 8.004 7.227 8.515 1.00 0.00 O ATOM 1324 CB LEU A 88 7.096 7.221 11.524 1.00 0.00 C ATOM 1325 CG LEU A 88 5.969 7.580 12.494 1.00 0.00 C ATOM 1326 CD1 LEU A 88 5.864 6.503 13.575 1.00 0.00 C ATOM 1327 CD2 LEU A 88 6.272 8.930 13.149 1.00 0.00 C ATOM 0 H LEU A 88 5.378 7.804 9.688 1.00 0.00 H new ATOM 0 HA LEU A 88 7.616 9.249 11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.865 6.287 11.012 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.025 7.063 12.072 1.00 0.00 H new ATOM 0 HG LEU A 88 5.027 7.642 11.949 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.061 6.759 14.266 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.650 5.541 13.110 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.806 6.441 14.120 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.470 9.187 13.841 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.214 8.867 13.694 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.348 9.699 12.380 1.00 0.00 H new ATOM 1339 N GLN A 89 9.532 8.358 9.616 1.00 0.00 N ATOM 1340 CA GLN A 89 10.585 7.984 8.630 1.00 0.00 C ATOM 1341 C GLN A 89 10.774 6.466 8.638 1.00 0.00 C ATOM 1342 O GLN A 89 11.470 5.980 9.515 1.00 0.00 O ATOM 1343 CB GLN A 89 11.902 8.665 9.009 1.00 0.00 C ATOM 1344 CG GLN A 89 12.950 8.384 7.930 1.00 0.00 C ATOM 1345 CD GLN A 89 14.258 9.091 8.292 1.00 0.00 C ATOM 1346 OE1 GLN A 89 14.306 9.861 9.231 1.00 0.00 O ATOM 1347 NE2 GLN A 89 15.328 8.860 7.583 1.00 0.00 N ATOM 1348 OXT GLN A 89 10.221 5.815 7.767 1.00 0.00 O ATOM 0 H GLN A 89 9.847 8.949 10.385 1.00 0.00 H new ATOM 0 HA GLN A 89 10.283 8.307 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.751 9.739 9.114 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.250 8.296 9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.117 7.311 7.841 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.592 8.732 6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.288 8.214 6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.205 9.326 7.817 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 -1.064 -4.997 -14.518 1.00 0.00 O HETATM 1359 O4 PN7 A 101 -1.519 -5.446 -11.042 1.00 0.00 O HETATM 1360 C2 PN7 A 101 0.804 -4.972 -13.001 1.00 0.00 C HETATM 1361 C1 PN7 A 101 1.527 -5.935 -12.056 1.00 0.00 C HETATM 1362 P PN7 A 101 2.440 -8.172 -11.661 1.00 0.00 P HETATM 1363 O1P PN7 A 101 3.556 -8.751 -12.442 1.00 0.00 O HETATM 1364 O2P PN7 A 101 2.722 -7.404 -10.429 1.00 0.00 O HETATM 1365 O3P PN7 A 101 1.569 -7.239 -12.642 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 1.566 -4.888 -14.324 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 0.736 -3.582 -12.362 1.00 0.00 C HETATM 1368 C3 PN7 A 101 -0.614 -5.480 -13.259 1.00 0.00 C HETATM 1369 C4 PN7 A 101 -1.548 -4.974 -12.161 1.00 0.00 C HETATM 1370 N5 PN7 A 101 -2.383 -4.020 -12.472 1.00 0.00 N HETATM 1371 C6 PN7 A 101 -3.764 -4.358 -12.920 1.00 0.00 C HETATM 1372 C7 PN7 A 101 -3.842 -5.848 -13.262 1.00 0.00 C HETATM 1373 C8 PN7 A 101 -3.775 -6.672 -11.975 1.00 0.00 C HETATM 1374 O8 PN7 A 101 -4.670 -6.632 -11.154 1.00 0.00 O HETATM 1375 N9 PN7 A 101 -2.692 -7.369 -11.761 1.00 0.00 N HETATM 1376 C10 PN7 A 101 -2.765 -8.641 -10.989 1.00 0.00 C HETATM 1377 C11 PN7 A 101 -4.051 -9.385 -11.352 1.00 0.00 C HETATM 1378 S12 PN7 A 101 -4.280 -9.353 -13.147 1.00 0.00 S