USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 608 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 2 GLN : amide:sc= -0.535 K(o=-7,f=-7.6!) USER MOD Set 1.2: A 3 HIS : no HD1:sc= -4.29! C(o=-7!,f=-14!) USER MOD Set 1.3: A 81 THR OG1 : rot 22:sc= -2.17! USER MOD Single : A 1 MET CE :methyl -153:sc= -0.359 (180deg=-1.69!) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0121) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -5.2! C(o=-5.2!,f=-4.3!) USER MOD Single : A 33 ASN : amide:sc= -10.6! C(o=-11!,f=-8.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.263 USER MOD Single : A 65 HIS : no HE2:sc= -4.19 K(o=-4.2,f=-8.3!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.066 14.115 1.378 1.00 0.00 N ATOM 2 CA MET A 1 1.858 12.700 1.794 1.00 0.00 C ATOM 3 C MET A 1 0.855 12.634 2.943 1.00 0.00 C ATOM 4 O MET A 1 1.203 12.784 4.097 1.00 0.00 O ATOM 5 CB MET A 1 3.189 12.096 2.244 1.00 0.00 C ATOM 6 CG MET A 1 4.023 11.743 1.015 1.00 0.00 C ATOM 7 SD MET A 1 5.559 10.941 1.536 1.00 0.00 S ATOM 8 CE MET A 1 6.206 12.310 2.527 1.00 0.00 C ATOM 0 H1 MET A 1 2.670 14.143 0.532 1.00 0.00 H new ATOM 0 H2 MET A 1 1.147 14.552 1.162 1.00 0.00 H new ATOM 0 H3 MET A 1 2.526 14.639 2.149 1.00 0.00 H new ATOM 0 HA MET A 1 1.469 12.135 0.947 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.729 12.804 2.873 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.012 11.205 2.846 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.459 11.080 0.358 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.247 12.644 0.443 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.295 12.259 2.552 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.897 13.257 2.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.816 12.240 3.543 1.00 0.00 H new ATOM 20 N GLN A 2 -0.388 12.395 2.635 1.00 0.00 N ATOM 21 CA GLN A 2 -1.416 12.302 3.707 1.00 0.00 C ATOM 22 C GLN A 2 -1.639 10.828 4.042 1.00 0.00 C ATOM 23 O GLN A 2 -2.046 10.047 3.205 1.00 0.00 O ATOM 24 CB GLN A 2 -2.727 12.922 3.218 1.00 0.00 C ATOM 25 CG GLN A 2 -3.740 12.943 4.363 1.00 0.00 C ATOM 26 CD GLN A 2 -5.041 13.589 3.883 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.103 14.117 2.790 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.090 13.570 4.659 1.00 0.00 N ATOM 0 H GLN A 2 -0.737 12.260 1.686 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.079 12.839 4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.550 13.935 2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.122 12.349 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.932 11.928 4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.336 13.499 5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.038 13.127 5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.962 13.998 4.348 1.00 0.00 H new ATOM 37 N HIS A 3 -1.366 10.435 5.255 1.00 0.00 N ATOM 38 CA HIS A 3 -1.554 9.007 5.630 1.00 0.00 C ATOM 39 C HIS A 3 -0.745 8.133 4.669 1.00 0.00 C ATOM 40 O HIS A 3 -0.875 6.925 4.648 1.00 0.00 O ATOM 41 CB HIS A 3 -3.036 8.644 5.528 1.00 0.00 C ATOM 42 CG HIS A 3 -3.851 9.655 6.287 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.219 9.796 6.099 1.00 0.00 N ATOM 44 CD2 HIS A 3 -3.505 10.587 7.235 1.00 0.00 C ATOM 45 CE1 HIS A 3 -5.642 10.780 6.914 1.00 0.00 C ATOM 46 NE2 HIS A 3 -4.637 11.293 7.626 1.00 0.00 N ATOM 0 H HIS A 3 -1.022 11.040 6.001 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.215 8.844 6.653 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.345 8.622 4.483 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.206 7.646 5.932 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.508 10.747 7.617 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.667 11.113 6.983 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.688 12.045 8.313 1.00 0.00 H new ATOM 55 N ALA A 4 0.093 8.741 3.872 1.00 0.00 N ATOM 56 CA ALA A 4 0.917 7.959 2.907 1.00 0.00 C ATOM 57 C ALA A 4 1.874 7.042 3.671 1.00 0.00 C ATOM 58 O ALA A 4 2.207 5.963 3.223 1.00 0.00 O ATOM 59 CB ALA A 4 1.727 8.921 2.036 1.00 0.00 C ATOM 0 H ALA A 4 0.242 9.750 3.848 1.00 0.00 H new ATOM 0 HA ALA A 4 0.262 7.356 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.331 8.351 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.048 9.575 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.380 9.523 2.668 1.00 0.00 H new ATOM 65 N SER A 5 2.327 7.469 4.817 1.00 0.00 N ATOM 66 CA SER A 5 3.273 6.630 5.605 1.00 0.00 C ATOM 67 C SER A 5 2.612 5.302 5.982 1.00 0.00 C ATOM 68 O SER A 5 3.267 4.285 6.094 1.00 0.00 O ATOM 69 CB SER A 5 3.674 7.378 6.876 1.00 0.00 C ATOM 70 OG SER A 5 2.555 7.454 7.749 1.00 0.00 O ATOM 0 H SER A 5 2.083 8.363 5.242 1.00 0.00 H new ATOM 0 HA SER A 5 4.157 6.427 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.500 6.865 7.369 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.024 8.380 6.627 1.00 0.00 H new ATOM 0 HG SER A 5 2.809 7.932 8.566 1.00 0.00 H new ATOM 76 N VAL A 6 1.322 5.296 6.177 1.00 0.00 N ATOM 77 CA VAL A 6 0.637 4.024 6.544 1.00 0.00 C ATOM 78 C VAL A 6 0.799 3.017 5.408 1.00 0.00 C ATOM 79 O VAL A 6 1.048 1.848 5.628 1.00 0.00 O ATOM 80 CB VAL A 6 -0.850 4.286 6.778 1.00 0.00 C ATOM 81 CG1 VAL A 6 -1.586 2.953 6.933 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.030 5.117 8.051 1.00 0.00 C ATOM 0 H VAL A 6 0.715 6.112 6.099 1.00 0.00 H new ATOM 0 HA VAL A 6 1.081 3.626 7.456 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.259 4.831 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.647 3.140 7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.460 2.360 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.176 2.408 7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.091 5.303 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.620 4.573 8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.507 6.067 7.942 1.00 0.00 H new ATOM 92 N ILE A 7 0.656 3.463 4.194 1.00 0.00 N ATOM 93 CA ILE A 7 0.799 2.539 3.038 1.00 0.00 C ATOM 94 C ILE A 7 2.210 1.954 3.015 1.00 0.00 C ATOM 95 O ILE A 7 2.402 0.783 2.759 1.00 0.00 O ATOM 96 CB ILE A 7 0.542 3.309 1.744 1.00 0.00 C ATOM 97 CG1 ILE A 7 -0.872 3.892 1.780 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.674 2.363 0.549 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.063 4.838 0.596 1.00 0.00 C ATOM 0 H ILE A 7 0.445 4.431 3.951 1.00 0.00 H new ATOM 0 HA ILE A 7 0.078 1.727 3.131 1.00 0.00 H new ATOM 0 HB ILE A 7 1.270 4.115 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.609 3.090 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.033 4.427 2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.490 2.914 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.680 1.943 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.054 1.557 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.070 5.254 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.335 5.647 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.920 4.289 -0.335 1.00 0.00 H new ATOM 111 N ALA A 8 3.202 2.759 3.277 1.00 0.00 N ATOM 112 CA ALA A 8 4.598 2.239 3.263 1.00 0.00 C ATOM 113 C ALA A 8 4.761 1.188 4.359 1.00 0.00 C ATOM 114 O ALA A 8 5.244 0.100 4.123 1.00 0.00 O ATOM 115 CB ALA A 8 5.577 3.387 3.512 1.00 0.00 C ATOM 0 H ALA A 8 3.107 3.750 3.499 1.00 0.00 H new ATOM 0 HA ALA A 8 4.805 1.790 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.597 3.004 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.463 4.138 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.369 3.838 4.482 1.00 0.00 H new ATOM 121 N GLN A 9 4.354 1.499 5.556 1.00 0.00 N ATOM 122 CA GLN A 9 4.483 0.509 6.659 1.00 0.00 C ATOM 123 C GLN A 9 3.507 -0.644 6.419 1.00 0.00 C ATOM 124 O GLN A 9 3.785 -1.782 6.741 1.00 0.00 O ATOM 125 CB GLN A 9 4.209 1.194 8.008 1.00 0.00 C ATOM 126 CG GLN A 9 2.742 1.035 8.410 1.00 0.00 C ATOM 127 CD GLN A 9 2.511 -0.360 8.997 1.00 0.00 C ATOM 128 OE1 GLN A 9 3.277 -0.819 9.821 1.00 0.00 O ATOM 129 NE2 GLN A 9 1.479 -1.056 8.606 1.00 0.00 N ATOM 0 H GLN A 9 3.939 2.393 5.818 1.00 0.00 H new ATOM 0 HA GLN A 9 5.496 0.108 6.683 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.850 0.763 8.777 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.460 2.253 7.941 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.472 1.796 9.142 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.100 1.185 7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.836 -0.670 7.914 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.315 -1.986 8.992 1.00 0.00 H new ATOM 138 N PHE A 10 2.366 -0.359 5.855 1.00 0.00 N ATOM 139 CA PHE A 10 1.371 -1.435 5.594 1.00 0.00 C ATOM 140 C PHE A 10 1.856 -2.322 4.445 1.00 0.00 C ATOM 141 O PHE A 10 1.896 -3.532 4.553 1.00 0.00 O ATOM 142 CB PHE A 10 0.032 -0.797 5.217 1.00 0.00 C ATOM 143 CG PHE A 10 -1.033 -1.862 5.131 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.712 -2.266 6.287 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.346 -2.443 3.896 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.703 -3.250 6.208 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.338 -3.427 3.817 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.016 -3.831 4.974 1.00 0.00 C ATOM 0 H PHE A 10 2.080 0.575 5.563 1.00 0.00 H new ATOM 0 HA PHE A 10 1.251 -2.045 6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.247 -0.049 5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.121 -0.280 4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.471 -1.818 7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.822 -2.132 3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.227 -3.561 7.100 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.581 -3.875 2.864 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.781 -4.591 4.914 1.00 0.00 H new ATOM 158 N VAL A 11 2.219 -1.727 3.343 1.00 0.00 N ATOM 159 CA VAL A 11 2.695 -2.528 2.180 1.00 0.00 C ATOM 160 C VAL A 11 4.039 -3.185 2.510 1.00 0.00 C ATOM 161 O VAL A 11 4.276 -4.331 2.184 1.00 0.00 O ATOM 162 CB VAL A 11 2.855 -1.611 0.964 1.00 0.00 C ATOM 163 CG1 VAL A 11 4.158 -0.819 1.083 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.890 -2.455 -0.311 1.00 0.00 C ATOM 0 H VAL A 11 2.207 -0.718 3.197 1.00 0.00 H new ATOM 0 HA VAL A 11 1.966 -3.307 1.958 1.00 0.00 H new ATOM 0 HB VAL A 11 2.013 -0.920 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.268 -0.168 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.135 -0.215 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.000 -1.509 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.004 -1.802 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.730 -3.148 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.961 -3.017 -0.401 1.00 0.00 H new ATOM 174 N VAL A 12 4.922 -2.469 3.152 1.00 0.00 N ATOM 175 CA VAL A 12 6.248 -3.054 3.499 1.00 0.00 C ATOM 176 C VAL A 12 6.057 -4.208 4.486 1.00 0.00 C ATOM 177 O VAL A 12 6.765 -5.194 4.446 1.00 0.00 O ATOM 178 CB VAL A 12 7.137 -1.974 4.119 1.00 0.00 C ATOM 179 CG1 VAL A 12 8.486 -2.577 4.514 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.368 -0.856 3.099 1.00 0.00 C ATOM 0 H VAL A 12 4.782 -1.504 3.451 1.00 0.00 H new ATOM 0 HA VAL A 12 6.727 -3.434 2.597 1.00 0.00 H new ATOM 0 HB VAL A 12 6.645 -1.571 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.115 -1.804 4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.329 -3.375 5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.976 -2.983 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.001 -0.086 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.857 -1.265 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.411 -0.419 2.815 1.00 0.00 H new ATOM 190 N GLU A 13 5.109 -4.092 5.375 1.00 0.00 N ATOM 191 CA GLU A 13 4.879 -5.180 6.370 1.00 0.00 C ATOM 192 C GLU A 13 4.650 -6.506 5.644 1.00 0.00 C ATOM 193 O GLU A 13 4.997 -7.562 6.137 1.00 0.00 O ATOM 194 CB GLU A 13 3.652 -4.848 7.216 1.00 0.00 C ATOM 195 CG GLU A 13 3.486 -5.900 8.312 1.00 0.00 C ATOM 196 CD GLU A 13 2.201 -5.626 9.094 1.00 0.00 C ATOM 197 OE1 GLU A 13 1.508 -4.684 8.746 1.00 0.00 O ATOM 198 OE2 GLU A 13 1.931 -6.364 10.028 1.00 0.00 O ATOM 0 H GLU A 13 4.483 -3.291 5.456 1.00 0.00 H new ATOM 0 HA GLU A 13 5.754 -5.267 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.761 -3.859 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.762 -4.819 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.450 -6.896 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.344 -5.879 8.984 1.00 0.00 H new ATOM 205 N GLU A 14 4.066 -6.465 4.480 1.00 0.00 N ATOM 206 CA GLU A 14 3.814 -7.726 3.730 1.00 0.00 C ATOM 207 C GLU A 14 5.146 -8.359 3.322 1.00 0.00 C ATOM 208 O GLU A 14 5.264 -9.564 3.218 1.00 0.00 O ATOM 209 CB GLU A 14 2.990 -7.418 2.477 1.00 0.00 C ATOM 210 CG GLU A 14 1.604 -6.913 2.886 1.00 0.00 C ATOM 211 CD GLU A 14 0.860 -8.011 3.649 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.260 -9.158 3.537 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.098 -7.686 4.331 1.00 0.00 O ATOM 0 H GLU A 14 3.752 -5.613 4.015 1.00 0.00 H new ATOM 0 HA GLU A 14 3.265 -8.420 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.498 -6.667 1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.895 -8.313 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.700 -6.024 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.037 -6.623 2.002 1.00 0.00 H new ATOM 220 N PHE A 15 6.150 -7.560 3.085 1.00 0.00 N ATOM 221 CA PHE A 15 7.469 -8.125 2.680 1.00 0.00 C ATOM 222 C PHE A 15 8.598 -7.329 3.343 1.00 0.00 C ATOM 223 O PHE A 15 9.574 -6.979 2.711 1.00 0.00 O ATOM 224 CB PHE A 15 7.608 -8.040 1.158 1.00 0.00 C ATOM 225 CG PHE A 15 7.708 -6.592 0.738 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.553 -5.804 0.669 1.00 0.00 C ATOM 227 CD2 PHE A 15 8.953 -6.039 0.415 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.644 -4.462 0.279 1.00 0.00 C ATOM 229 CE2 PHE A 15 9.044 -4.698 0.025 1.00 0.00 C ATOM 230 CZ PHE A 15 7.889 -3.909 -0.042 1.00 0.00 C ATOM 0 H PHE A 15 6.115 -6.543 3.154 1.00 0.00 H new ATOM 0 HA PHE A 15 7.531 -9.166 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.494 -8.585 0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.750 -8.510 0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.592 -6.231 0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.844 -6.648 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.753 -3.854 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.005 -4.272 -0.224 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.959 -2.874 -0.341 1.00 0.00 H new ATOM 240 N LEU A 16 8.477 -7.036 4.610 1.00 0.00 N ATOM 241 CA LEU A 16 9.547 -6.261 5.295 1.00 0.00 C ATOM 242 C LEU A 16 10.707 -7.189 5.679 1.00 0.00 C ATOM 243 O LEU A 16 10.500 -8.225 6.277 1.00 0.00 O ATOM 244 CB LEU A 16 8.976 -5.572 6.551 1.00 0.00 C ATOM 245 CG LEU A 16 9.188 -6.410 7.827 1.00 0.00 C ATOM 246 CD1 LEU A 16 8.616 -5.645 9.021 1.00 0.00 C ATOM 247 CD2 LEU A 16 8.465 -7.757 7.715 1.00 0.00 C ATOM 0 H LEU A 16 7.686 -7.300 5.197 1.00 0.00 H new ATOM 0 HA LEU A 16 9.922 -5.497 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.450 -4.599 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.910 -5.392 6.411 1.00 0.00 H new ATOM 0 HG LEU A 16 10.255 -6.589 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.760 -6.229 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.128 -4.688 9.119 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.551 -5.472 8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.627 -8.334 8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.397 -7.587 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.856 -8.310 6.861 1.00 0.00 H new ATOM 259 N PRO A 17 11.927 -6.819 5.364 1.00 0.00 N ATOM 260 CA PRO A 17 13.116 -7.637 5.721 1.00 0.00 C ATOM 261 C PRO A 17 13.449 -7.470 7.208 1.00 0.00 C ATOM 262 O PRO A 17 12.578 -7.213 8.015 1.00 0.00 O ATOM 263 CB PRO A 17 14.223 -7.056 4.837 1.00 0.00 C ATOM 264 CG PRO A 17 13.838 -5.632 4.625 1.00 0.00 C ATOM 265 CD PRO A 17 12.313 -5.592 4.639 1.00 0.00 C ATOM 0 HA PRO A 17 12.971 -8.706 5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 17 15.197 -7.134 5.321 1.00 0.00 H new ATOM 0 HB3 PRO A 17 14.294 -7.591 3.890 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.250 -4.997 5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 17 14.228 -5.261 3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.942 -4.699 5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.905 -5.581 3.628 1.00 0.00 H new ATOM 273 N ASP A 18 14.688 -7.596 7.582 1.00 0.00 N ATOM 274 CA ASP A 18 15.044 -7.423 9.012 1.00 0.00 C ATOM 275 C ASP A 18 15.100 -5.926 9.327 1.00 0.00 C ATOM 276 O ASP A 18 15.600 -5.513 10.355 1.00 0.00 O ATOM 277 CB ASP A 18 16.410 -8.061 9.272 1.00 0.00 C ATOM 278 CG ASP A 18 17.486 -7.338 8.458 1.00 0.00 C ATOM 279 OD1 ASP A 18 17.192 -6.279 7.928 1.00 0.00 O ATOM 280 OD2 ASP A 18 18.586 -7.858 8.375 1.00 0.00 O ATOM 0 H ASP A 18 15.468 -7.811 6.960 1.00 0.00 H new ATOM 0 HA ASP A 18 14.299 -7.903 9.647 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.649 -8.009 10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.385 -9.117 9.002 1.00 0.00 H new ATOM 285 N VAL A 19 14.593 -5.110 8.437 1.00 0.00 N ATOM 286 CA VAL A 19 14.615 -3.636 8.663 1.00 0.00 C ATOM 287 C VAL A 19 13.187 -3.115 8.836 1.00 0.00 C ATOM 288 O VAL A 19 12.290 -3.484 8.106 1.00 0.00 O ATOM 289 CB VAL A 19 15.247 -2.952 7.450 1.00 0.00 C ATOM 290 CG1 VAL A 19 15.400 -1.455 7.727 1.00 0.00 C ATOM 291 CG2 VAL A 19 16.622 -3.565 7.178 1.00 0.00 C ATOM 0 H VAL A 19 14.163 -5.405 7.560 1.00 0.00 H new ATOM 0 HA VAL A 19 15.193 -3.419 9.561 1.00 0.00 H new ATOM 0 HB VAL A 19 14.607 -3.095 6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.851 -0.969 6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.420 -1.018 7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.039 -1.310 8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.073 -3.078 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.262 -3.424 8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.512 -4.631 6.978 1.00 0.00 H new ATOM 301 N ALA A 20 12.971 -2.250 9.790 1.00 0.00 N ATOM 302 CA ALA A 20 11.602 -1.700 9.993 1.00 0.00 C ATOM 303 C ALA A 20 11.287 -0.716 8.852 1.00 0.00 C ATOM 304 O ALA A 20 12.137 0.059 8.462 1.00 0.00 O ATOM 305 CB ALA A 20 11.548 -0.959 11.331 1.00 0.00 C ATOM 0 H ALA A 20 13.681 -1.902 10.435 1.00 0.00 H new ATOM 0 HA ALA A 20 10.872 -2.510 9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.547 -0.555 11.483 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.787 -1.650 12.139 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.271 -0.144 11.325 1.00 0.00 H new ATOM 311 N PRO A 21 10.084 -0.726 8.318 1.00 0.00 N ATOM 312 CA PRO A 21 9.705 0.206 7.215 1.00 0.00 C ATOM 313 C PRO A 21 10.097 1.653 7.525 1.00 0.00 C ATOM 314 O PRO A 21 10.398 2.429 6.640 1.00 0.00 O ATOM 315 CB PRO A 21 8.184 0.083 7.132 1.00 0.00 C ATOM 316 CG PRO A 21 7.854 -1.257 7.700 1.00 0.00 C ATOM 317 CD PRO A 21 8.966 -1.615 8.687 1.00 0.00 C ATOM 0 HA PRO A 21 10.214 -0.046 6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.696 0.878 7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.840 0.166 6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.887 -1.235 8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.786 -2.004 6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.651 -1.450 9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.249 -2.664 8.604 1.00 0.00 H new ATOM 325 N ALA A 22 10.100 2.019 8.777 1.00 0.00 N ATOM 326 CA ALA A 22 10.478 3.411 9.149 1.00 0.00 C ATOM 327 C ALA A 22 11.957 3.638 8.829 1.00 0.00 C ATOM 328 O ALA A 22 12.404 4.755 8.661 1.00 0.00 O ATOM 329 CB ALA A 22 10.242 3.620 10.646 1.00 0.00 C ATOM 0 H ALA A 22 9.856 1.413 9.560 1.00 0.00 H new ATOM 0 HA ALA A 22 9.870 4.118 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.518 4.638 10.919 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.189 3.456 10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.850 2.915 11.212 1.00 0.00 H new ATOM 335 N ASP A 23 12.717 2.582 8.743 1.00 0.00 N ATOM 336 CA ASP A 23 14.167 2.723 8.434 1.00 0.00 C ATOM 337 C ASP A 23 14.384 2.492 6.940 1.00 0.00 C ATOM 338 O ASP A 23 15.498 2.488 6.456 1.00 0.00 O ATOM 339 CB ASP A 23 14.964 1.690 9.234 1.00 0.00 C ATOM 340 CG ASP A 23 14.871 2.018 10.725 1.00 0.00 C ATOM 341 OD1 ASP A 23 14.425 3.107 11.046 1.00 0.00 O ATOM 342 OD2 ASP A 23 15.248 1.173 11.521 1.00 0.00 O ATOM 0 H ASP A 23 12.395 1.623 8.874 1.00 0.00 H new ATOM 0 HA ASP A 23 14.505 3.724 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.575 0.689 9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.006 1.692 8.915 1.00 0.00 H new ATOM 347 N VAL A 24 13.322 2.305 6.208 1.00 0.00 N ATOM 348 CA VAL A 24 13.452 2.080 4.743 1.00 0.00 C ATOM 349 C VAL A 24 13.015 3.346 4.012 1.00 0.00 C ATOM 350 O VAL A 24 12.033 3.968 4.364 1.00 0.00 O ATOM 351 CB VAL A 24 12.559 0.911 4.323 1.00 0.00 C ATOM 352 CG1 VAL A 24 12.765 0.619 2.836 1.00 0.00 C ATOM 353 CG2 VAL A 24 12.925 -0.329 5.141 1.00 0.00 C ATOM 0 H VAL A 24 12.366 2.298 6.563 1.00 0.00 H new ATOM 0 HA VAL A 24 14.487 1.846 4.493 1.00 0.00 H new ATOM 0 HB VAL A 24 11.515 1.170 4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.129 -0.214 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.505 1.502 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.809 0.360 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.289 -1.163 4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.969 -0.587 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.778 -0.122 6.201 1.00 0.00 H new ATOM 363 N ASP A 25 13.738 3.743 3.005 1.00 0.00 N ATOM 364 CA ASP A 25 13.358 4.978 2.270 1.00 0.00 C ATOM 365 C ASP A 25 12.011 4.766 1.581 1.00 0.00 C ATOM 366 O ASP A 25 11.931 4.199 0.509 1.00 0.00 O ATOM 367 CB ASP A 25 14.425 5.296 1.220 1.00 0.00 C ATOM 368 CG ASP A 25 15.734 5.667 1.918 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.700 5.894 3.116 1.00 0.00 O ATOM 370 OD2 ASP A 25 16.749 5.718 1.243 1.00 0.00 O ATOM 0 H ASP A 25 14.572 3.268 2.660 1.00 0.00 H new ATOM 0 HA ASP A 25 13.280 5.809 2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.579 4.435 0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.093 6.118 0.586 1.00 0.00 H new ATOM 375 N VAL A 26 10.948 5.223 2.188 1.00 0.00 N ATOM 376 CA VAL A 26 9.603 5.051 1.566 1.00 0.00 C ATOM 377 C VAL A 26 9.574 5.754 0.205 1.00 0.00 C ATOM 378 O VAL A 26 8.554 5.810 -0.453 1.00 0.00 O ATOM 379 CB VAL A 26 8.541 5.666 2.479 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.694 5.103 3.893 1.00 0.00 C ATOM 381 CG2 VAL A 26 8.719 7.186 2.514 1.00 0.00 C ATOM 0 H VAL A 26 10.953 5.707 3.086 1.00 0.00 H new ATOM 0 HA VAL A 26 9.398 3.989 1.429 1.00 0.00 H new ATOM 0 HB VAL A 26 7.549 5.423 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.937 5.542 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.569 4.020 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.685 5.345 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.963 7.626 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.711 7.427 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.610 7.588 1.507 1.00 0.00 H new ATOM 391 N ASP A 27 10.688 6.280 -0.227 1.00 0.00 N ATOM 392 CA ASP A 27 10.728 6.964 -1.550 1.00 0.00 C ATOM 393 C ASP A 27 11.151 5.952 -2.615 1.00 0.00 C ATOM 394 O ASP A 27 11.437 6.300 -3.743 1.00 0.00 O ATOM 395 CB ASP A 27 11.738 8.113 -1.503 1.00 0.00 C ATOM 396 CG ASP A 27 11.242 9.191 -0.537 1.00 0.00 C ATOM 397 OD1 ASP A 27 10.084 9.131 -0.158 1.00 0.00 O ATOM 398 OD2 ASP A 27 12.028 10.058 -0.194 1.00 0.00 O ATOM 0 H ASP A 27 11.573 6.265 0.280 1.00 0.00 H new ATOM 0 HA ASP A 27 9.743 7.365 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.711 7.742 -1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.870 8.536 -2.499 1.00 0.00 H new ATOM 403 N LEU A 28 11.194 4.699 -2.256 1.00 0.00 N ATOM 404 CA LEU A 28 11.602 3.648 -3.230 1.00 0.00 C ATOM 405 C LEU A 28 10.372 3.137 -3.974 1.00 0.00 C ATOM 406 O LEU A 28 9.351 2.850 -3.382 1.00 0.00 O ATOM 407 CB LEU A 28 12.244 2.482 -2.473 1.00 0.00 C ATOM 408 CG LEU A 28 12.794 1.450 -3.464 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.218 1.835 -3.868 1.00 0.00 C ATOM 410 CD2 LEU A 28 12.804 0.068 -2.804 1.00 0.00 C ATOM 0 H LEU A 28 10.963 4.356 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 28 12.313 4.069 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.048 2.850 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.508 2.014 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 28 12.162 1.425 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.608 1.100 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.210 2.819 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.853 1.861 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.195 -0.668 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.436 0.093 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.788 -0.206 -2.519 1.00 0.00 H new ATOM 422 N ASP A 29 10.466 3.003 -5.266 1.00 0.00 N ATOM 423 CA ASP A 29 9.304 2.489 -6.032 1.00 0.00 C ATOM 424 C ASP A 29 9.045 1.049 -5.593 1.00 0.00 C ATOM 425 O ASP A 29 9.908 0.199 -5.691 1.00 0.00 O ATOM 426 CB ASP A 29 9.620 2.522 -7.529 1.00 0.00 C ATOM 427 CG ASP A 29 9.711 3.975 -8.001 1.00 0.00 C ATOM 428 OD1 ASP A 29 9.327 4.849 -7.241 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.161 4.188 -9.114 1.00 0.00 O ATOM 0 H ASP A 29 11.293 3.226 -5.820 1.00 0.00 H new ATOM 0 HA ASP A 29 8.425 3.105 -5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.560 2.006 -7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.845 1.995 -8.086 1.00 0.00 H new ATOM 434 N LEU A 30 7.874 0.766 -5.099 1.00 0.00 N ATOM 435 CA LEU A 30 7.585 -0.620 -4.645 1.00 0.00 C ATOM 436 C LEU A 30 7.365 -1.522 -5.861 1.00 0.00 C ATOM 437 O LEU A 30 6.999 -2.673 -5.733 1.00 0.00 O ATOM 438 CB LEU A 30 6.333 -0.623 -3.761 1.00 0.00 C ATOM 439 CG LEU A 30 5.147 -0.068 -4.549 1.00 0.00 C ATOM 440 CD1 LEU A 30 3.994 -1.073 -4.511 1.00 0.00 C ATOM 441 CD2 LEU A 30 4.693 1.251 -3.923 1.00 0.00 C ATOM 0 H LEU A 30 7.108 1.431 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 30 8.430 -0.996 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.116 -1.637 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.504 -0.020 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 30 5.446 0.103 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.148 -0.677 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.317 -2.014 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.695 -1.244 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.847 1.648 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.394 1.079 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.514 1.968 -3.949 1.00 0.00 H new ATOM 453 N VAL A 31 7.586 -1.010 -7.042 1.00 0.00 N ATOM 454 CA VAL A 31 7.388 -1.845 -8.259 1.00 0.00 C ATOM 455 C VAL A 31 8.211 -3.124 -8.128 1.00 0.00 C ATOM 456 O VAL A 31 7.774 -4.196 -8.496 1.00 0.00 O ATOM 457 CB VAL A 31 7.839 -1.067 -9.497 1.00 0.00 C ATOM 458 CG1 VAL A 31 9.367 -1.036 -9.552 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.299 -1.754 -10.754 1.00 0.00 C ATOM 0 H VAL A 31 7.894 -0.053 -7.215 1.00 0.00 H new ATOM 0 HA VAL A 31 6.333 -2.098 -8.362 1.00 0.00 H new ATOM 0 HB VAL A 31 7.456 -0.048 -9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.688 -0.482 -10.434 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.753 -0.549 -8.657 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.750 -2.055 -9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.619 -1.201 -11.637 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.683 -2.773 -10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.210 -1.778 -10.716 1.00 0.00 H new ATOM 469 N ASP A 32 9.393 -3.025 -7.587 1.00 0.00 N ATOM 470 CA ASP A 32 10.227 -4.246 -7.414 1.00 0.00 C ATOM 471 C ASP A 32 9.419 -5.252 -6.599 1.00 0.00 C ATOM 472 O ASP A 32 9.460 -6.444 -6.830 1.00 0.00 O ATOM 473 CB ASP A 32 11.515 -3.891 -6.667 1.00 0.00 C ATOM 474 CG ASP A 32 12.387 -2.997 -7.551 1.00 0.00 C ATOM 475 OD1 ASP A 32 12.087 -2.886 -8.728 1.00 0.00 O ATOM 476 OD2 ASP A 32 13.341 -2.437 -7.035 1.00 0.00 O ATOM 0 H ASP A 32 9.816 -2.157 -7.259 1.00 0.00 H new ATOM 0 HA ASP A 32 10.493 -4.667 -8.384 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.278 -3.379 -5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.057 -4.799 -6.403 1.00 0.00 H new ATOM 481 N ASN A 33 8.666 -4.760 -5.656 1.00 0.00 N ATOM 482 CA ASN A 33 7.819 -5.649 -4.819 1.00 0.00 C ATOM 483 C ASN A 33 6.505 -5.891 -5.556 1.00 0.00 C ATOM 484 O ASN A 33 5.526 -6.323 -4.981 1.00 0.00 O ATOM 485 CB ASN A 33 7.541 -4.976 -3.481 1.00 0.00 C ATOM 486 CG ASN A 33 8.865 -4.650 -2.796 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.734 -5.493 -2.688 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.060 -3.450 -2.337 1.00 0.00 N ATOM 0 H ASN A 33 8.602 -3.768 -5.428 1.00 0.00 H new ATOM 0 HA ASN A 33 8.328 -6.596 -4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.963 -4.065 -3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.943 -5.632 -2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.944 -3.214 -1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.330 -2.744 -2.429 1.00 0.00 H new ATOM 495 N GLY A 34 6.483 -5.594 -6.828 1.00 0.00 N ATOM 496 CA GLY A 34 5.246 -5.784 -7.634 1.00 0.00 C ATOM 497 C GLY A 34 4.593 -7.114 -7.266 1.00 0.00 C ATOM 498 O GLY A 34 3.450 -7.364 -7.587 1.00 0.00 O ATOM 0 H GLY A 34 7.279 -5.224 -7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.552 -4.964 -7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.487 -5.767 -8.697 1.00 0.00 H new ATOM 502 N VAL A 35 5.299 -7.969 -6.587 1.00 0.00 N ATOM 503 CA VAL A 35 4.691 -9.271 -6.203 1.00 0.00 C ATOM 504 C VAL A 35 3.350 -8.995 -5.519 1.00 0.00 C ATOM 505 O VAL A 35 2.381 -9.702 -5.715 1.00 0.00 O ATOM 506 CB VAL A 35 5.621 -10.002 -5.232 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.890 -11.203 -4.628 1.00 0.00 C ATOM 508 CG2 VAL A 35 6.863 -10.487 -5.983 1.00 0.00 C ATOM 0 H VAL A 35 6.262 -7.826 -6.283 1.00 0.00 H new ATOM 0 HA VAL A 35 4.540 -9.891 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 35 5.920 -9.321 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.553 -11.723 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.005 -10.859 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.590 -11.884 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.526 -11.008 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.564 -11.167 -6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.386 -9.632 -6.412 1.00 0.00 H new ATOM 518 N ILE A 36 3.294 -7.967 -4.719 1.00 0.00 N ATOM 519 CA ILE A 36 2.026 -7.626 -4.013 1.00 0.00 C ATOM 520 C ILE A 36 1.000 -7.070 -5.003 1.00 0.00 C ATOM 521 O ILE A 36 -0.187 -7.107 -4.767 1.00 0.00 O ATOM 522 CB ILE A 36 2.311 -6.549 -2.970 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.244 -6.610 -1.884 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.273 -5.174 -3.639 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.334 -5.362 -1.006 1.00 0.00 C ATOM 0 H ILE A 36 4.077 -7.344 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 36 1.632 -8.528 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 36 3.294 -6.714 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.254 -6.678 -2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.380 -7.505 -1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.476 -4.402 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.028 -5.130 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.287 -5.008 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.570 -5.407 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.319 -5.313 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.177 -4.474 -1.618 1.00 0.00 H new ATOM 537 N ASP A 37 1.454 -6.523 -6.090 1.00 0.00 N ATOM 538 CA ASP A 37 0.509 -5.926 -7.080 1.00 0.00 C ATOM 539 C ASP A 37 -0.496 -6.968 -7.581 1.00 0.00 C ATOM 540 O ASP A 37 -1.601 -6.628 -7.954 1.00 0.00 O ATOM 541 CB ASP A 37 1.288 -5.365 -8.272 1.00 0.00 C ATOM 542 CG ASP A 37 2.157 -4.194 -7.811 1.00 0.00 C ATOM 543 OD1 ASP A 37 1.970 -3.749 -6.691 1.00 0.00 O ATOM 544 OD2 ASP A 37 2.992 -3.760 -8.588 1.00 0.00 O ATOM 0 H ASP A 37 2.441 -6.461 -6.341 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.037 -5.124 -6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.912 -6.144 -8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.597 -5.035 -9.048 1.00 0.00 H new ATOM 549 N SER A 38 -0.127 -8.222 -7.623 1.00 0.00 N ATOM 550 CA SER A 38 -1.078 -9.253 -8.136 1.00 0.00 C ATOM 551 C SER A 38 -1.532 -10.199 -7.018 1.00 0.00 C ATOM 552 O SER A 38 -2.697 -10.251 -6.677 1.00 0.00 O ATOM 553 CB SER A 38 -0.389 -10.065 -9.233 1.00 0.00 C ATOM 554 OG SER A 38 -0.193 -9.235 -10.384 1.00 0.00 O ATOM 0 H SER A 38 0.783 -8.575 -7.327 1.00 0.00 H new ATOM 0 HA SER A 38 -1.957 -8.744 -8.531 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.569 -10.442 -8.875 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.995 -10.932 -9.495 1.00 0.00 H new ATOM 0 HG SER A 38 0.250 -9.752 -11.089 1.00 0.00 H new ATOM 559 N LEU A 39 -0.635 -10.963 -6.462 1.00 0.00 N ATOM 560 CA LEU A 39 -1.039 -11.919 -5.390 1.00 0.00 C ATOM 561 C LEU A 39 -1.454 -11.162 -4.130 1.00 0.00 C ATOM 562 O LEU A 39 -2.502 -11.406 -3.564 1.00 0.00 O ATOM 563 CB LEU A 39 0.134 -12.844 -5.057 1.00 0.00 C ATOM 564 CG LEU A 39 0.371 -13.831 -6.203 1.00 0.00 C ATOM 565 CD1 LEU A 39 1.244 -13.181 -7.279 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.076 -15.074 -5.660 1.00 0.00 C ATOM 0 H LEU A 39 0.357 -10.969 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.884 -12.507 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.034 -12.254 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.073 -13.388 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.587 -14.111 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.408 -13.889 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.743 -12.294 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.203 -12.896 -6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.247 -15.780 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.032 -14.788 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.453 -15.542 -4.898 1.00 0.00 H new ATOM 578 N GLY A 40 -0.644 -10.249 -3.684 1.00 0.00 N ATOM 579 CA GLY A 40 -0.992 -9.482 -2.457 1.00 0.00 C ATOM 580 C GLY A 40 -2.157 -8.539 -2.752 1.00 0.00 C ATOM 581 O GLY A 40 -3.027 -8.330 -1.930 1.00 0.00 O ATOM 0 H GLY A 40 0.246 -9.999 -4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.261 -10.167 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.128 -8.912 -2.115 1.00 0.00 H new ATOM 585 N LEU A 41 -2.171 -7.960 -3.918 1.00 0.00 N ATOM 586 CA LEU A 41 -3.265 -7.018 -4.273 1.00 0.00 C ATOM 587 C LEU A 41 -4.605 -7.744 -4.203 1.00 0.00 C ATOM 588 O LEU A 41 -5.583 -7.214 -3.715 1.00 0.00 O ATOM 589 CB LEU A 41 -3.039 -6.499 -5.693 1.00 0.00 C ATOM 590 CG LEU A 41 -4.058 -5.404 -6.015 1.00 0.00 C ATOM 591 CD1 LEU A 41 -3.547 -4.061 -5.492 1.00 0.00 C ATOM 592 CD2 LEU A 41 -4.254 -5.322 -7.530 1.00 0.00 C ATOM 0 H LEU A 41 -1.468 -8.100 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.271 -6.182 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.027 -6.106 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.133 -7.317 -6.408 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.009 -5.640 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.273 -3.281 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.407 -4.120 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.596 -3.823 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.980 -4.542 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.303 -5.086 -8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.619 -6.279 -7.902 1.00 0.00 H new ATOM 604 N LEU A 42 -4.662 -8.953 -4.681 1.00 0.00 N ATOM 605 CA LEU A 42 -5.947 -9.699 -4.630 1.00 0.00 C ATOM 606 C LEU A 42 -6.367 -9.842 -3.168 1.00 0.00 C ATOM 607 O LEU A 42 -7.511 -9.636 -2.814 1.00 0.00 O ATOM 608 CB LEU A 42 -5.762 -11.085 -5.252 1.00 0.00 C ATOM 609 CG LEU A 42 -7.114 -11.788 -5.354 1.00 0.00 C ATOM 610 CD1 LEU A 42 -7.812 -11.347 -6.637 1.00 0.00 C ATOM 611 CD2 LEU A 42 -6.901 -13.303 -5.383 1.00 0.00 C ATOM 0 H LEU A 42 -3.880 -9.455 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.714 -9.162 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.313 -10.993 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.078 -11.678 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.729 -11.527 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.778 -11.846 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.961 -10.267 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.196 -11.612 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.866 -13.805 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.288 -13.568 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.397 -13.617 -4.469 1.00 0.00 H new ATOM 623 N LYS A 43 -5.441 -10.181 -2.314 1.00 0.00 N ATOM 624 CA LYS A 43 -5.770 -10.323 -0.872 1.00 0.00 C ATOM 625 C LYS A 43 -6.113 -8.950 -0.288 1.00 0.00 C ATOM 626 O LYS A 43 -6.952 -8.823 0.582 1.00 0.00 O ATOM 627 CB LYS A 43 -4.565 -10.904 -0.137 1.00 0.00 C ATOM 628 CG LYS A 43 -4.293 -12.323 -0.642 1.00 0.00 C ATOM 629 CD LYS A 43 -3.160 -12.947 0.176 1.00 0.00 C ATOM 630 CE LYS A 43 -2.805 -14.317 -0.405 1.00 0.00 C ATOM 631 NZ LYS A 43 -2.811 -15.335 0.683 1.00 0.00 N ATOM 0 H LYS A 43 -4.468 -10.366 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.626 -10.988 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.689 -10.275 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.753 -10.919 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.194 -12.930 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.023 -12.299 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.286 -12.296 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.463 -13.050 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.521 -14.592 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.823 -14.280 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.570 -16.266 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.111 -15.074 1.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.756 -15.376 1.115 1.00 0.00 H new ATOM 645 N VAL A 44 -5.455 -7.922 -0.755 1.00 0.00 N ATOM 646 CA VAL A 44 -5.721 -6.554 -0.225 1.00 0.00 C ATOM 647 C VAL A 44 -7.173 -6.153 -0.491 1.00 0.00 C ATOM 648 O VAL A 44 -7.846 -5.620 0.368 1.00 0.00 O ATOM 649 CB VAL A 44 -4.788 -5.560 -0.917 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.197 -4.133 -0.548 1.00 0.00 C ATOM 651 CG2 VAL A 44 -3.351 -5.815 -0.459 1.00 0.00 C ATOM 0 H VAL A 44 -4.743 -7.972 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.545 -6.548 0.851 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.855 -5.686 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.532 -3.425 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.222 -3.953 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.129 -4.003 0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.682 -5.108 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.285 -5.686 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.061 -6.832 -0.722 1.00 0.00 H new ATOM 661 N ILE A 45 -7.661 -6.399 -1.673 1.00 0.00 N ATOM 662 CA ILE A 45 -9.066 -6.026 -1.989 1.00 0.00 C ATOM 663 C ILE A 45 -10.019 -6.772 -1.053 1.00 0.00 C ATOM 664 O ILE A 45 -10.953 -6.204 -0.520 1.00 0.00 O ATOM 665 CB ILE A 45 -9.369 -6.397 -3.442 1.00 0.00 C ATOM 666 CG1 ILE A 45 -9.080 -5.197 -4.349 1.00 0.00 C ATOM 667 CG2 ILE A 45 -10.838 -6.794 -3.578 1.00 0.00 C ATOM 668 CD1 ILE A 45 -7.684 -4.645 -4.050 1.00 0.00 C ATOM 0 H ILE A 45 -7.147 -6.843 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.201 -4.953 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.739 -7.236 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.146 -5.496 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.829 -4.421 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.049 -7.057 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.044 -7.651 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.470 -5.957 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.484 -3.792 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.633 -4.329 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.940 -5.420 -4.231 1.00 0.00 H new ATOM 680 N ALA A 46 -9.795 -8.040 -0.853 1.00 0.00 N ATOM 681 CA ALA A 46 -10.691 -8.825 0.043 1.00 0.00 C ATOM 682 C ALA A 46 -10.574 -8.311 1.480 1.00 0.00 C ATOM 683 O ALA A 46 -11.558 -8.139 2.170 1.00 0.00 O ATOM 684 CB ALA A 46 -10.277 -10.295 -0.002 1.00 0.00 C ATOM 0 H ALA A 46 -9.029 -8.568 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.722 -8.717 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.928 -10.876 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.363 -10.666 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.245 -10.393 0.334 1.00 0.00 H new ATOM 690 N TRP A 47 -9.377 -8.066 1.936 1.00 0.00 N ATOM 691 CA TRP A 47 -9.196 -7.565 3.328 1.00 0.00 C ATOM 692 C TRP A 47 -9.650 -6.109 3.413 1.00 0.00 C ATOM 693 O TRP A 47 -10.257 -5.692 4.379 1.00 0.00 O ATOM 694 CB TRP A 47 -7.720 -7.673 3.715 1.00 0.00 C ATOM 695 CG TRP A 47 -7.365 -6.581 4.671 1.00 0.00 C ATOM 696 CD1 TRP A 47 -7.493 -6.647 6.017 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.818 -5.266 4.376 1.00 0.00 C ATOM 698 NE1 TRP A 47 -7.058 -5.453 6.565 1.00 0.00 N ATOM 699 CE2 TRP A 47 -6.631 -4.570 5.593 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.470 -4.617 3.180 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.115 -3.273 5.619 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.951 -3.314 3.202 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.773 -2.644 4.419 1.00 0.00 C ATOM 0 H TRP A 47 -8.515 -8.191 1.405 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.795 -8.164 4.014 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.524 -8.644 4.169 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.095 -7.606 2.824 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.872 -7.492 6.572 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.053 -5.250 7.565 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.603 -5.125 2.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.981 -2.760 6.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.687 -2.825 2.276 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.372 -1.641 4.430 1.00 0.00 H new ATOM 714 N LEU A 48 -9.357 -5.330 2.409 1.00 0.00 N ATOM 715 CA LEU A 48 -9.765 -3.901 2.433 1.00 0.00 C ATOM 716 C LEU A 48 -11.285 -3.807 2.572 1.00 0.00 C ATOM 717 O LEU A 48 -11.801 -3.000 3.320 1.00 0.00 O ATOM 718 CB LEU A 48 -9.328 -3.239 1.125 1.00 0.00 C ATOM 719 CG LEU A 48 -9.567 -1.737 1.196 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.376 -1.077 1.881 1.00 0.00 C ATOM 721 CD2 LEU A 48 -9.717 -1.180 -0.220 1.00 0.00 C ATOM 0 H LEU A 48 -8.852 -5.623 1.573 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.296 -3.396 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.272 -3.439 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.883 -3.665 0.289 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.476 -1.532 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.539 -0.001 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.266 -1.480 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.470 -1.278 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.888 -0.105 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.807 -1.377 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.563 -1.660 -0.712 1.00 0.00 H new ATOM 733 N GLU A 49 -12.007 -4.632 1.866 1.00 0.00 N ATOM 734 CA GLU A 49 -13.491 -4.595 1.970 1.00 0.00 C ATOM 735 C GLU A 49 -13.913 -4.971 3.389 1.00 0.00 C ATOM 736 O GLU A 49 -14.817 -4.391 3.951 1.00 0.00 O ATOM 737 CB GLU A 49 -14.093 -5.578 0.953 1.00 0.00 C ATOM 738 CG GLU A 49 -15.592 -5.758 1.200 1.00 0.00 C ATOM 739 CD GLU A 49 -16.167 -6.721 0.159 1.00 0.00 C ATOM 740 OE1 GLU A 49 -15.396 -7.231 -0.637 1.00 0.00 O ATOM 741 OE2 GLU A 49 -17.369 -6.931 0.176 1.00 0.00 O ATOM 0 H GLU A 49 -11.633 -5.329 1.222 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.854 -3.591 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.928 -5.209 -0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.588 -6.541 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.762 -6.147 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.100 -4.795 1.140 1.00 0.00 H new ATOM 748 N ASP A 50 -13.268 -5.938 3.973 1.00 0.00 N ATOM 749 CA ASP A 50 -13.640 -6.348 5.354 1.00 0.00 C ATOM 750 C ASP A 50 -13.299 -5.239 6.353 1.00 0.00 C ATOM 751 O ASP A 50 -14.090 -4.894 7.209 1.00 0.00 O ATOM 752 CB ASP A 50 -12.862 -7.608 5.723 1.00 0.00 C ATOM 753 CG ASP A 50 -13.376 -8.157 7.055 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.347 -7.619 7.560 1.00 0.00 O ATOM 755 OD2 ASP A 50 -12.790 -9.107 7.548 1.00 0.00 O ATOM 0 H ASP A 50 -12.500 -6.463 3.555 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.713 -6.538 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.974 -8.359 4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.798 -7.382 5.797 1.00 0.00 H new ATOM 760 N ARG A 51 -12.116 -4.700 6.267 1.00 0.00 N ATOM 761 CA ARG A 51 -11.700 -3.636 7.227 1.00 0.00 C ATOM 762 C ARG A 51 -12.469 -2.328 6.998 1.00 0.00 C ATOM 763 O ARG A 51 -12.872 -1.674 7.940 1.00 0.00 O ATOM 764 CB ARG A 51 -10.202 -3.373 7.070 1.00 0.00 C ATOM 765 CG ARG A 51 -9.744 -2.386 8.145 1.00 0.00 C ATOM 766 CD ARG A 51 -8.246 -2.119 7.990 1.00 0.00 C ATOM 767 NE ARG A 51 -7.779 -1.249 9.106 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.171 -0.006 9.173 1.00 0.00 C ATOM 769 NH1 ARG A 51 -8.970 0.477 8.261 1.00 0.00 N ATOM 770 NH2 ARG A 51 -7.764 0.755 10.152 1.00 0.00 N ATOM 0 H ARG A 51 -11.414 -4.951 5.570 1.00 0.00 H new ATOM 0 HA ARG A 51 -11.925 -3.986 8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.647 -4.307 7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.994 -2.970 6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.301 -1.453 8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.951 -2.790 9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.696 -3.060 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.049 -1.638 7.032 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.153 -1.625 9.818 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.288 -0.117 7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.276 1.449 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.139 0.378 10.865 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.070 1.726 10.204 1.00 0.00 H new ATOM 784 N PHE A 52 -12.649 -1.915 5.770 1.00 0.00 N ATOM 785 CA PHE A 52 -13.355 -0.627 5.522 1.00 0.00 C ATOM 786 C PHE A 52 -14.806 -0.865 5.096 1.00 0.00 C ATOM 787 O PHE A 52 -15.581 0.063 4.981 1.00 0.00 O ATOM 788 CB PHE A 52 -12.623 0.127 4.415 1.00 0.00 C ATOM 789 CG PHE A 52 -11.233 0.486 4.885 1.00 0.00 C ATOM 790 CD1 PHE A 52 -11.024 1.663 5.614 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.155 -0.357 4.592 1.00 0.00 C ATOM 792 CE1 PHE A 52 -9.736 1.996 6.050 1.00 0.00 C ATOM 793 CE2 PHE A 52 -8.867 -0.024 5.028 1.00 0.00 C ATOM 794 CZ PHE A 52 -8.658 1.153 5.757 1.00 0.00 C ATOM 0 H PHE A 52 -12.339 -2.412 4.935 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.361 -0.047 6.445 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.567 -0.488 3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.173 1.030 4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.856 2.314 5.840 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.317 -1.265 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.574 2.904 6.613 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.035 -0.675 4.802 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.665 1.410 6.093 1.00 0.00 H new ATOM 804 N GLY A 53 -15.188 -2.086 4.856 1.00 0.00 N ATOM 805 CA GLY A 53 -16.595 -2.338 4.436 1.00 0.00 C ATOM 806 C GLY A 53 -16.803 -1.789 3.022 1.00 0.00 C ATOM 807 O GLY A 53 -17.901 -1.437 2.639 1.00 0.00 O ATOM 0 H GLY A 53 -14.596 -2.913 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.808 -3.407 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.286 -1.860 5.130 1.00 0.00 H new ATOM 811 N ILE A 54 -15.755 -1.704 2.246 1.00 0.00 N ATOM 812 CA ILE A 54 -15.897 -1.167 0.861 1.00 0.00 C ATOM 813 C ILE A 54 -15.934 -2.327 -0.134 1.00 0.00 C ATOM 814 O ILE A 54 -15.103 -3.210 -0.106 1.00 0.00 O ATOM 815 CB ILE A 54 -14.702 -0.267 0.545 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.610 0.839 1.597 1.00 0.00 C ATOM 817 CG2 ILE A 54 -14.885 0.360 -0.838 1.00 0.00 C ATOM 818 CD1 ILE A 54 -13.273 1.566 1.455 1.00 0.00 C ATOM 0 H ILE A 54 -14.810 -1.982 2.510 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.820 -0.593 0.785 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.787 -0.859 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.434 1.542 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.701 0.414 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.033 1.001 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.954 -0.428 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -15.799 0.954 -0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.206 2.355 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.457 0.858 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.201 2.004 0.460 1.00 0.00 H new ATOM 830 N ALA A 55 -16.894 -2.333 -1.017 1.00 0.00 N ATOM 831 CA ALA A 55 -16.987 -3.443 -2.005 1.00 0.00 C ATOM 832 C ALA A 55 -15.727 -3.473 -2.870 1.00 0.00 C ATOM 833 O ALA A 55 -15.114 -2.457 -3.130 1.00 0.00 O ATOM 834 CB ALA A 55 -18.211 -3.228 -2.897 1.00 0.00 C ATOM 0 H ALA A 55 -17.617 -1.618 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.082 -4.390 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -18.281 -4.040 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -19.111 -3.212 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -18.115 -2.279 -3.424 1.00 0.00 H new ATOM 840 N ALA A 56 -15.337 -4.637 -3.312 1.00 0.00 N ATOM 841 CA ALA A 56 -14.115 -4.745 -4.156 1.00 0.00 C ATOM 842 C ALA A 56 -14.289 -3.880 -5.407 1.00 0.00 C ATOM 843 O ALA A 56 -13.329 -3.486 -6.039 1.00 0.00 O ATOM 844 CB ALA A 56 -13.910 -6.203 -4.570 1.00 0.00 C ATOM 0 H ALA A 56 -15.813 -5.519 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 56 -13.248 -4.403 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.016 -6.283 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.793 -6.821 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.775 -6.545 -5.138 1.00 0.00 H new ATOM 850 N ASP A 57 -15.512 -3.592 -5.768 1.00 0.00 N ATOM 851 CA ASP A 57 -15.777 -2.757 -6.977 1.00 0.00 C ATOM 852 C ASP A 57 -15.161 -3.411 -8.216 1.00 0.00 C ATOM 853 O ASP A 57 -15.338 -2.945 -9.324 1.00 0.00 O ATOM 854 CB ASP A 57 -15.187 -1.358 -6.784 1.00 0.00 C ATOM 855 CG ASP A 57 -15.936 -0.639 -5.660 1.00 0.00 C ATOM 856 OD1 ASP A 57 -16.985 -1.123 -5.270 1.00 0.00 O ATOM 857 OD2 ASP A 57 -15.447 0.384 -5.210 1.00 0.00 O ATOM 0 H ASP A 57 -16.347 -3.903 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 57 -16.855 -2.676 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.127 -1.429 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.265 -0.788 -7.710 1.00 0.00 H new ATOM 862 N ASP A 58 -14.449 -4.491 -8.046 1.00 0.00 N ATOM 863 CA ASP A 58 -13.840 -5.169 -9.224 1.00 0.00 C ATOM 864 C ASP A 58 -13.038 -4.158 -10.047 1.00 0.00 C ATOM 865 O ASP A 58 -13.181 -4.075 -11.251 1.00 0.00 O ATOM 866 CB ASP A 58 -14.946 -5.768 -10.090 1.00 0.00 C ATOM 867 CG ASP A 58 -15.654 -6.883 -9.318 1.00 0.00 C ATOM 868 OD1 ASP A 58 -15.122 -7.303 -8.304 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.715 -7.298 -9.755 1.00 0.00 O ATOM 0 H ASP A 58 -14.263 -4.932 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.174 -5.960 -8.881 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.661 -4.995 -10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.525 -6.163 -11.015 1.00 0.00 H new ATOM 874 N VAL A 59 -12.198 -3.388 -9.410 1.00 0.00 N ATOM 875 CA VAL A 59 -11.392 -2.383 -10.162 1.00 0.00 C ATOM 876 C VAL A 59 -9.954 -2.885 -10.303 1.00 0.00 C ATOM 877 O VAL A 59 -9.382 -3.425 -9.377 1.00 0.00 O ATOM 878 CB VAL A 59 -11.395 -1.055 -9.402 1.00 0.00 C ATOM 879 CG1 VAL A 59 -12.836 -0.580 -9.210 1.00 0.00 C ATOM 880 CG2 VAL A 59 -10.737 -1.250 -8.034 1.00 0.00 C ATOM 0 H VAL A 59 -12.035 -3.411 -8.403 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.825 -2.237 -11.152 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.839 -0.310 -9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -12.838 0.366 -8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.306 -0.442 -10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -13.392 -1.325 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.738 -0.305 -7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.293 -1.995 -7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.710 -1.589 -8.169 1.00 0.00 H new ATOM 890 N GLU A 60 -9.368 -2.714 -11.458 1.00 0.00 N ATOM 891 CA GLU A 60 -7.969 -3.184 -11.665 1.00 0.00 C ATOM 892 C GLU A 60 -7.024 -1.981 -11.719 1.00 0.00 C ATOM 893 O GLU A 60 -7.305 -0.987 -12.359 1.00 0.00 O ATOM 894 CB GLU A 60 -7.886 -3.955 -12.984 1.00 0.00 C ATOM 895 CG GLU A 60 -6.492 -4.550 -13.141 1.00 0.00 C ATOM 896 CD GLU A 60 -6.377 -5.232 -14.506 1.00 0.00 C ATOM 897 OE1 GLU A 60 -7.342 -5.188 -15.251 1.00 0.00 O ATOM 898 OE2 GLU A 60 -5.326 -5.786 -14.783 1.00 0.00 O ATOM 0 H GLU A 60 -9.799 -2.268 -12.268 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.678 -3.834 -10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.635 -4.747 -13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.105 -3.291 -13.820 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.739 -3.767 -13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.301 -5.271 -12.346 1.00 0.00 H new ATOM 905 N LEU A 61 -5.902 -2.067 -11.055 1.00 0.00 N ATOM 906 CA LEU A 61 -4.934 -0.936 -11.068 1.00 0.00 C ATOM 907 C LEU A 61 -3.753 -1.290 -11.978 1.00 0.00 C ATOM 908 O LEU A 61 -3.280 -2.408 -11.991 1.00 0.00 O ATOM 909 CB LEU A 61 -4.428 -0.673 -9.645 1.00 0.00 C ATOM 910 CG LEU A 61 -5.610 -0.398 -8.705 1.00 0.00 C ATOM 911 CD1 LEU A 61 -6.488 0.711 -9.289 1.00 0.00 C ATOM 912 CD2 LEU A 61 -6.449 -1.670 -8.534 1.00 0.00 C ATOM 0 H LEU A 61 -5.615 -2.875 -10.503 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.427 -0.039 -11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.862 -1.533 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.748 0.179 -9.645 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.224 -0.086 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.326 0.903 -8.619 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.898 1.621 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.866 0.401 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.286 -1.467 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.829 -1.988 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.829 -2.460 -8.110 1.00 0.00 H new ATOM 924 N SER A 62 -3.277 -0.343 -12.742 1.00 0.00 N ATOM 925 CA SER A 62 -2.132 -0.620 -13.657 1.00 0.00 C ATOM 926 C SER A 62 -0.812 -0.533 -12.885 1.00 0.00 C ATOM 927 O SER A 62 -0.747 0.036 -11.813 1.00 0.00 O ATOM 928 CB SER A 62 -2.129 0.412 -14.786 1.00 0.00 C ATOM 929 OG SER A 62 -0.855 1.041 -14.844 1.00 0.00 O ATOM 0 H SER A 62 -3.633 0.612 -12.772 1.00 0.00 H new ATOM 0 HA SER A 62 -2.237 -1.623 -14.072 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.352 -0.072 -15.737 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.907 1.156 -14.616 1.00 0.00 H new ATOM 0 HG SER A 62 -0.849 1.702 -15.568 1.00 0.00 H new ATOM 935 N PRO A 63 0.234 -1.094 -13.435 1.00 0.00 N ATOM 936 CA PRO A 63 1.586 -1.086 -12.802 1.00 0.00 C ATOM 937 C PRO A 63 2.068 0.334 -12.493 1.00 0.00 C ATOM 938 O PRO A 63 2.814 0.560 -11.562 1.00 0.00 O ATOM 939 CB PRO A 63 2.503 -1.741 -13.846 1.00 0.00 C ATOM 940 CG PRO A 63 1.715 -1.809 -15.114 1.00 0.00 C ATOM 941 CD PRO A 63 0.241 -1.798 -14.721 1.00 0.00 C ATOM 0 HA PRO A 63 1.580 -1.611 -11.847 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.413 -1.157 -13.985 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.809 -2.737 -13.525 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.949 -0.963 -15.760 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.959 -2.713 -15.672 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.368 -1.283 -15.464 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.157 -2.808 -14.627 1.00 0.00 H new ATOM 949 N GLU A 64 1.642 1.292 -13.269 1.00 0.00 N ATOM 950 CA GLU A 64 2.068 2.698 -13.026 1.00 0.00 C ATOM 951 C GLU A 64 1.538 3.170 -11.671 1.00 0.00 C ATOM 952 O GLU A 64 2.130 4.005 -11.017 1.00 0.00 O ATOM 953 CB GLU A 64 1.517 3.594 -14.129 1.00 0.00 C ATOM 954 CG GLU A 64 2.177 3.231 -15.457 1.00 0.00 C ATOM 955 CD GLU A 64 3.680 3.508 -15.383 1.00 0.00 C ATOM 956 OE1 GLU A 64 4.084 4.245 -14.498 1.00 0.00 O ATOM 957 OE2 GLU A 64 4.401 2.979 -16.212 1.00 0.00 O ATOM 0 H GLU A 64 1.015 1.161 -14.063 1.00 0.00 H new ATOM 0 HA GLU A 64 3.157 2.750 -13.025 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.436 3.475 -14.203 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.706 4.641 -13.891 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.003 2.179 -15.684 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.731 3.810 -16.265 1.00 0.00 H new ATOM 964 N HIS A 65 0.420 2.646 -11.249 1.00 0.00 N ATOM 965 CA HIS A 65 -0.157 3.068 -9.940 1.00 0.00 C ATOM 966 C HIS A 65 0.744 2.594 -8.797 1.00 0.00 C ATOM 967 O HIS A 65 0.770 3.178 -7.732 1.00 0.00 O ATOM 968 CB HIS A 65 -1.548 2.454 -9.779 1.00 0.00 C ATOM 969 CG HIS A 65 -2.126 2.860 -8.452 1.00 0.00 C ATOM 970 ND1 HIS A 65 -2.070 2.034 -7.338 1.00 0.00 N ATOM 971 CD2 HIS A 65 -2.774 4.000 -8.043 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.668 2.683 -6.321 1.00 0.00 C ATOM 973 NE2 HIS A 65 -3.112 3.883 -6.700 1.00 0.00 N ATOM 0 H HIS A 65 -0.120 1.943 -11.754 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.229 4.155 -9.912 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.199 2.786 -10.588 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.487 1.368 -9.844 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.652 1.105 -7.297 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.988 4.855 -8.668 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.775 2.283 -5.324 1.00 0.00 H new ATOM 982 N PHE A 66 1.477 1.536 -9.004 1.00 0.00 N ATOM 983 CA PHE A 66 2.367 1.024 -7.924 1.00 0.00 C ATOM 984 C PHE A 66 3.789 1.548 -8.139 1.00 0.00 C ATOM 985 O PHE A 66 4.714 1.154 -7.460 1.00 0.00 O ATOM 986 CB PHE A 66 2.379 -0.505 -7.962 1.00 0.00 C ATOM 987 CG PHE A 66 0.967 -1.020 -7.833 1.00 0.00 C ATOM 988 CD1 PHE A 66 0.419 -1.270 -6.569 1.00 0.00 C ATOM 989 CD2 PHE A 66 0.203 -1.243 -8.983 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.895 -1.745 -6.459 1.00 0.00 C ATOM 991 CE2 PHE A 66 -1.106 -1.718 -8.874 1.00 0.00 C ATOM 992 CZ PHE A 66 -1.657 -1.970 -7.613 1.00 0.00 C ATOM 0 H PHE A 66 1.499 1.004 -9.874 1.00 0.00 H new ATOM 0 HA PHE A 66 1.998 1.365 -6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.821 -0.853 -8.896 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.996 -0.895 -7.152 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.008 -1.097 -5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.626 -1.048 -9.957 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.320 -1.938 -5.485 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.693 -1.891 -9.764 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.669 -2.338 -7.529 1.00 0.00 H new ATOM 1002 N ARG A 67 3.974 2.428 -9.083 1.00 0.00 N ATOM 1003 CA ARG A 67 5.340 2.964 -9.341 1.00 0.00 C ATOM 1004 C ARG A 67 5.911 3.570 -8.054 1.00 0.00 C ATOM 1005 O ARG A 67 7.083 3.438 -7.767 1.00 0.00 O ATOM 1006 CB ARG A 67 5.267 4.040 -10.433 1.00 0.00 C ATOM 1007 CG ARG A 67 6.671 4.541 -10.794 1.00 0.00 C ATOM 1008 CD ARG A 67 7.363 3.548 -11.735 1.00 0.00 C ATOM 1009 NE ARG A 67 8.700 4.081 -12.119 1.00 0.00 N ATOM 1010 CZ ARG A 67 9.364 3.534 -13.100 1.00 0.00 C ATOM 1011 NH1 ARG A 67 8.857 2.519 -13.745 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.536 4.001 -13.435 1.00 0.00 N ATOM 0 H ARG A 67 3.240 2.799 -9.686 1.00 0.00 H new ATOM 0 HA ARG A 67 5.990 2.154 -9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.781 3.633 -11.320 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.655 4.874 -10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.604 5.519 -11.271 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.264 4.668 -9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.472 2.581 -11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.754 3.388 -12.625 1.00 0.00 H new ATOM 0 HE ARG A 67 9.097 4.874 -11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.942 2.153 -13.482 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.376 2.091 -14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.933 4.793 -12.930 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.055 3.573 -14.202 1.00 0.00 H new ATOM 1026 N SER A 68 5.101 4.236 -7.278 1.00 0.00 N ATOM 1027 CA SER A 68 5.622 4.844 -6.019 1.00 0.00 C ATOM 1028 C SER A 68 4.559 4.764 -4.921 1.00 0.00 C ATOM 1029 O SER A 68 3.373 4.796 -5.185 1.00 0.00 O ATOM 1030 CB SER A 68 5.987 6.306 -6.273 1.00 0.00 C ATOM 1031 OG SER A 68 6.551 6.860 -5.092 1.00 0.00 O ATOM 0 H SER A 68 4.108 4.385 -7.458 1.00 0.00 H new ATOM 0 HA SER A 68 6.508 4.297 -5.697 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.697 6.378 -7.097 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.101 6.869 -6.565 1.00 0.00 H new ATOM 0 HG SER A 68 6.788 7.797 -5.251 1.00 0.00 H new ATOM 1037 N ILE A 69 4.978 4.657 -3.690 1.00 0.00 N ATOM 1038 CA ILE A 69 4.009 4.572 -2.569 1.00 0.00 C ATOM 1039 C ILE A 69 3.125 5.823 -2.547 1.00 0.00 C ATOM 1040 O ILE A 69 1.951 5.760 -2.240 1.00 0.00 O ATOM 1041 CB ILE A 69 4.786 4.479 -1.257 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.704 3.262 -1.291 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.812 4.328 -0.102 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.588 3.244 -0.043 1.00 0.00 C ATOM 0 H ILE A 69 5.959 4.625 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 69 3.377 3.693 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 69 5.379 5.384 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.111 2.349 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.324 3.288 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.366 4.262 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.148 5.192 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.222 3.422 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.242 2.372 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.193 4.150 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.960 3.197 0.847 1.00 0.00 H new ATOM 1056 N ARG A 70 3.683 6.962 -2.856 1.00 0.00 N ATOM 1057 CA ARG A 70 2.878 8.218 -2.838 1.00 0.00 C ATOM 1058 C ARG A 70 1.730 8.123 -3.846 1.00 0.00 C ATOM 1059 O ARG A 70 0.641 8.603 -3.602 1.00 0.00 O ATOM 1060 CB ARG A 70 3.776 9.401 -3.204 1.00 0.00 C ATOM 1061 CG ARG A 70 4.856 9.574 -2.134 1.00 0.00 C ATOM 1062 CD ARG A 70 5.669 10.836 -2.427 1.00 0.00 C ATOM 1063 NE ARG A 70 6.244 10.749 -3.799 1.00 0.00 N ATOM 1064 CZ ARG A 70 6.696 11.823 -4.387 1.00 0.00 C ATOM 1065 NH1 ARG A 70 6.643 12.974 -3.774 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.200 11.745 -5.588 1.00 0.00 N ATOM 0 H ARG A 70 4.661 7.078 -3.120 1.00 0.00 H new ATOM 0 HA ARG A 70 2.465 8.361 -1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.237 9.233 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.181 10.311 -3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.397 9.645 -1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.511 8.703 -2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.034 11.718 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.467 10.946 -1.693 1.00 0.00 H new ATOM 0 HE ARG A 70 6.284 9.850 -4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.248 13.034 -2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.996 13.813 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.241 10.845 -6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.553 12.584 -6.048 1.00 0.00 H new ATOM 1080 N SER A 71 1.959 7.515 -4.977 1.00 0.00 N ATOM 1081 CA SER A 71 0.876 7.403 -5.991 1.00 0.00 C ATOM 1082 C SER A 71 -0.315 6.658 -5.385 1.00 0.00 C ATOM 1083 O SER A 71 -1.457 7.015 -5.598 1.00 0.00 O ATOM 1084 CB SER A 71 1.400 6.632 -7.201 1.00 0.00 C ATOM 1085 OG SER A 71 2.587 7.253 -7.675 1.00 0.00 O ATOM 0 H SER A 71 2.848 7.092 -5.242 1.00 0.00 H new ATOM 0 HA SER A 71 0.558 8.398 -6.301 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.602 5.596 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.647 6.612 -7.988 1.00 0.00 H new ATOM 0 HG SER A 71 2.927 6.760 -8.451 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.058 5.628 -4.628 1.00 0.00 N ATOM 1092 CA ILE A 72 -1.165 4.864 -4.004 1.00 0.00 C ATOM 1093 C ILE A 72 -1.903 5.759 -3.008 1.00 0.00 C ATOM 1094 O ILE A 72 -3.112 5.713 -2.891 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.582 3.656 -3.274 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.180 2.777 -4.270 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.714 2.849 -2.649 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.873 1.639 -3.520 1.00 0.00 C ATOM 0 H ILE A 72 0.878 5.283 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.864 4.529 -4.771 1.00 0.00 H new ATOM 0 HB ILE A 72 0.099 3.995 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.507 2.372 -5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.917 3.374 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.301 1.986 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.259 3.474 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.393 2.509 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.415 1.013 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.572 2.054 -2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.126 1.037 -3.002 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.181 6.573 -2.287 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.834 7.470 -1.293 1.00 0.00 C ATOM 1112 C ASP A 73 -2.872 8.348 -1.990 1.00 0.00 C ATOM 1113 O ASP A 73 -3.936 8.602 -1.462 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.774 8.358 -0.638 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.391 9.101 0.548 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -2.482 8.732 0.950 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -0.764 10.028 1.033 1.00 0.00 O ATOM 0 H ASP A 73 -0.166 6.655 -2.344 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.328 6.865 -0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.067 7.751 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.383 9.071 -1.364 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.577 8.817 -3.171 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.560 9.679 -3.884 1.00 0.00 C ATOM 1124 C ALA A 74 -4.816 8.869 -4.195 1.00 0.00 C ATOM 1125 O ALA A 74 -5.925 9.324 -3.995 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.943 10.190 -5.188 1.00 0.00 C ATOM 0 H ALA A 74 -1.705 8.642 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.823 10.528 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.663 10.821 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.048 10.770 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.678 9.343 -5.821 1.00 0.00 H new ATOM 1132 N PHE A 75 -4.655 7.668 -4.674 1.00 0.00 N ATOM 1133 CA PHE A 75 -5.845 6.830 -4.987 1.00 0.00 C ATOM 1134 C PHE A 75 -6.584 6.500 -3.689 1.00 0.00 C ATOM 1135 O PHE A 75 -7.789 6.627 -3.597 1.00 0.00 O ATOM 1136 CB PHE A 75 -5.396 5.536 -5.662 1.00 0.00 C ATOM 1137 CG PHE A 75 -6.607 4.748 -6.098 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -7.216 5.024 -7.328 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -7.121 3.740 -5.273 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -8.339 4.292 -7.733 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -8.245 3.009 -5.677 1.00 0.00 C ATOM 1142 CZ PHE A 75 -8.854 3.285 -6.907 1.00 0.00 C ATOM 0 H PHE A 75 -3.753 7.231 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.509 7.374 -5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.767 5.762 -6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.793 4.944 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.820 5.801 -7.964 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.650 3.526 -4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.808 4.504 -8.682 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.642 2.233 -5.040 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.721 2.721 -7.219 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.866 6.076 -2.685 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.511 5.735 -1.393 1.00 0.00 C ATOM 1154 C VAL A 76 -7.109 6.994 -0.762 1.00 0.00 C ATOM 1155 O VAL A 76 -8.192 6.968 -0.217 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.461 5.143 -0.457 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.052 5.001 0.940 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.037 3.765 -0.973 1.00 0.00 C ATOM 0 H VAL A 76 -4.854 5.952 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.308 5.011 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.593 5.801 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.304 4.578 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.356 5.981 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.919 4.342 0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.287 3.341 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.905 3.107 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.617 3.865 -1.974 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.412 8.097 -0.827 1.00 0.00 N ATOM 1169 CA VAL A 77 -6.943 9.347 -0.227 1.00 0.00 C ATOM 1170 C VAL A 77 -8.253 9.735 -0.913 1.00 0.00 C ATOM 1171 O VAL A 77 -9.199 10.153 -0.276 1.00 0.00 O ATOM 1172 CB VAL A 77 -5.917 10.462 -0.414 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.554 11.800 -0.057 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -4.718 10.208 0.501 1.00 0.00 C ATOM 0 H VAL A 77 -5.498 8.183 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.131 9.192 0.835 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.584 10.482 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.823 12.598 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.410 11.980 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.885 11.780 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.984 11.003 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.050 10.190 1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.264 9.250 0.248 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.315 9.604 -2.209 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.562 9.968 -2.935 1.00 0.00 C ATOM 1186 C GLY A 78 -10.737 9.152 -2.393 1.00 0.00 C ATOM 1187 O GLY A 78 -11.850 9.633 -2.309 1.00 0.00 O ATOM 0 H GLY A 78 -7.555 9.260 -2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.763 11.033 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.440 9.781 -4.002 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.505 7.919 -2.031 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.620 7.081 -1.505 1.00 0.00 C ATOM 1193 C ALA A 79 -11.687 7.190 0.019 1.00 0.00 C ATOM 1194 O ALA A 79 -12.733 7.431 0.588 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.388 5.621 -1.901 1.00 0.00 C ATOM 0 H ALA A 79 -9.596 7.458 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.561 7.433 -1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.202 5.006 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.353 5.540 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.443 5.276 -1.481 1.00 0.00 H new ATOM 1201 N THR A 80 -10.581 7.013 0.685 1.00 0.00 N ATOM 1202 CA THR A 80 -10.583 7.104 2.172 1.00 0.00 C ATOM 1203 C THR A 80 -9.235 7.643 2.658 1.00 0.00 C ATOM 1204 O THR A 80 -8.212 7.441 2.034 1.00 0.00 O ATOM 1205 CB THR A 80 -10.828 5.713 2.763 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.079 5.829 4.156 1.00 0.00 O ATOM 1207 CG2 THR A 80 -9.601 4.830 2.530 1.00 0.00 C ATOM 0 H THR A 80 -9.675 6.809 0.264 1.00 0.00 H new ATOM 0 HA THR A 80 -11.374 7.781 2.495 1.00 0.00 H new ATOM 0 HB THR A 80 -11.691 5.259 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.238 4.939 4.535 1.00 0.00 H new ATOM 0 HG21 THR A 80 -9.779 3.841 2.952 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.416 4.740 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.733 5.279 3.012 1.00 0.00 H new ATOM 1215 N THR A 81 -9.227 8.324 3.769 1.00 0.00 N ATOM 1216 CA THR A 81 -7.949 8.875 4.299 1.00 0.00 C ATOM 1217 C THR A 81 -7.921 8.727 5.827 1.00 0.00 C ATOM 1218 O THR A 81 -8.347 9.610 6.545 1.00 0.00 O ATOM 1219 CB THR A 81 -7.840 10.356 3.922 1.00 0.00 C ATOM 1220 OG1 THR A 81 -6.684 10.913 4.532 1.00 0.00 O ATOM 1221 CG2 THR A 81 -9.084 11.109 4.399 1.00 0.00 C ATOM 0 H THR A 81 -10.052 8.523 4.334 1.00 0.00 H new ATOM 0 HA THR A 81 -7.109 8.329 3.870 1.00 0.00 H new ATOM 0 HB THR A 81 -7.763 10.447 2.839 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.048 10.198 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.999 12.161 4.127 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.970 10.683 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.170 11.020 5.482 1.00 0.00 H new