USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 17 THR OG1 : rot 180:sc= -0.0146 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -7:sc= 1.02 USER MOD Single : A 22 HIS : no HD1:sc= -8.79! C(o=-8.8!,f=-14!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= -0.545 (180deg=-2.13!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 55:sc= 0.292 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 86:sc= 0.863 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -7.644 6.771 0.524 1.00 0.00 N ATOM 14 CA ILE A 2 -6.349 6.105 0.844 1.00 0.00 C ATOM 15 C ILE A 2 -5.403 6.227 -0.352 1.00 0.00 C ATOM 16 O ILE A 2 -5.523 5.508 -1.326 1.00 0.00 O ATOM 17 CB ILE A 2 -6.598 4.627 1.149 1.00 0.00 C ATOM 18 CG1 ILE A 2 -7.386 4.503 2.456 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.260 3.901 1.291 1.00 0.00 C ATOM 20 CD1 ILE A 2 -8.648 3.672 2.214 1.00 0.00 C ATOM 0 HA ILE A 2 -5.899 6.585 1.713 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.168 4.180 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.769 4.033 3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.655 5.492 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.439 2.848 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.698 3.989 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.688 4.347 2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.209 3.583 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.267 4.161 1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.368 2.679 1.863 1.00 0.00 H new ATOM 32 N ASP A 3 -4.464 7.130 -0.288 1.00 0.00 N ATOM 33 CA ASP A 3 -3.511 7.296 -1.422 1.00 0.00 C ATOM 34 C ASP A 3 -2.536 6.117 -1.447 1.00 0.00 C ATOM 35 O ASP A 3 -1.912 5.796 -0.455 1.00 0.00 O ATOM 36 CB ASP A 3 -2.730 8.600 -1.245 1.00 0.00 C ATOM 37 CG ASP A 3 -1.891 8.866 -2.496 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.498 7.905 -3.137 1.00 0.00 O ATOM 39 OD2 ASP A 3 -1.657 10.026 -2.792 1.00 0.00 O ATOM 0 H ASP A 3 -4.315 7.760 0.500 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.065 7.328 -2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.418 9.428 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.085 8.534 -0.369 1.00 0.00 H new ATOM 44 N ILE A 4 -2.403 5.469 -2.571 1.00 0.00 N ATOM 45 CA ILE A 4 -1.469 4.311 -2.658 1.00 0.00 C ATOM 46 C ILE A 4 -0.121 4.782 -3.209 1.00 0.00 C ATOM 47 O ILE A 4 0.172 4.624 -4.376 1.00 0.00 O ATOM 48 CB ILE A 4 -2.057 3.250 -3.589 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.250 2.578 -2.904 1.00 0.00 C ATOM 50 CG2 ILE A 4 -0.992 2.199 -3.904 1.00 0.00 C ATOM 51 CD1 ILE A 4 -3.893 1.576 -3.866 1.00 0.00 C ATOM 0 H ILE A 4 -2.901 5.691 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.327 3.885 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.386 3.721 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.923 2.069 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.980 3.329 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.412 1.443 -4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.142 2.677 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.662 1.727 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.742 1.097 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.234 2.098 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.161 0.818 -4.145 1.00 0.00 H new ATOM 63 N LYS A 5 0.701 5.361 -2.376 1.00 0.00 N ATOM 64 CA LYS A 5 2.028 5.840 -2.854 1.00 0.00 C ATOM 65 C LYS A 5 3.107 4.826 -2.469 1.00 0.00 C ATOM 66 O LYS A 5 3.033 4.188 -1.437 1.00 0.00 O ATOM 67 CB LYS A 5 2.346 7.191 -2.206 1.00 0.00 C ATOM 68 CG LYS A 5 2.335 7.043 -0.684 1.00 0.00 C ATOM 69 CD LYS A 5 3.371 7.988 -0.072 1.00 0.00 C ATOM 70 CE LYS A 5 3.701 7.533 1.350 1.00 0.00 C ATOM 71 NZ LYS A 5 5.175 7.364 1.488 1.00 0.00 N ATOM 0 H LYS A 5 0.511 5.522 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 5 2.004 5.951 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.321 7.546 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.613 7.936 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.343 7.271 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.558 6.013 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.275 7.997 -0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.986 9.007 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.339 8.266 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.194 6.593 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.400 7.055 2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.508 6.649 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.648 8.270 1.296 1.00 0.00 H new ATOM 85 N ALA A 6 4.108 4.669 -3.291 1.00 0.00 N ATOM 86 CA ALA A 6 5.188 3.695 -2.972 1.00 0.00 C ATOM 87 C ALA A 6 5.721 3.968 -1.562 1.00 0.00 C ATOM 88 O ALA A 6 5.499 5.028 -1.010 1.00 0.00 O ATOM 89 CB ALA A 6 6.325 3.844 -3.984 1.00 0.00 C ATOM 0 H ALA A 6 4.224 5.174 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 6 4.789 2.682 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.116 3.131 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.946 3.650 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.724 4.857 -3.936 1.00 0.00 H new ATOM 95 N PRO A 7 6.412 2.996 -1.020 1.00 0.00 N ATOM 96 CA PRO A 7 6.997 3.093 0.328 1.00 0.00 C ATOM 97 C PRO A 7 8.275 3.935 0.298 1.00 0.00 C ATOM 98 O PRO A 7 8.856 4.163 -0.744 1.00 0.00 O ATOM 99 CB PRO A 7 7.308 1.638 0.689 1.00 0.00 C ATOM 100 CG PRO A 7 7.421 0.871 -0.651 1.00 0.00 C ATOM 101 CD PRO A 7 6.674 1.713 -1.704 1.00 0.00 C ATOM 0 HA PRO A 7 6.336 3.574 1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.236 1.568 1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.521 1.216 1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.465 0.735 -0.933 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.982 -0.123 -0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.277 1.855 -2.601 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.747 1.231 -2.016 1.00 0.00 H new ATOM 109 N THR A 8 8.718 4.399 1.434 1.00 0.00 N ATOM 110 CA THR A 8 9.958 5.226 1.469 1.00 0.00 C ATOM 111 C THR A 8 11.182 4.308 1.483 1.00 0.00 C ATOM 112 O THR A 8 11.498 3.692 2.481 1.00 0.00 O ATOM 113 CB THR A 8 9.957 6.093 2.730 1.00 0.00 C ATOM 114 OG1 THR A 8 11.223 6.724 2.869 1.00 0.00 O ATOM 115 CG2 THR A 8 9.684 5.218 3.955 1.00 0.00 C ATOM 0 H THR A 8 8.275 4.242 2.339 1.00 0.00 H new ATOM 0 HA THR A 8 9.993 5.866 0.588 1.00 0.00 H new ATOM 0 HB THR A 8 9.178 6.851 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.224 7.281 3.675 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.684 5.837 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.713 4.735 3.848 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.461 4.458 4.039 1.00 0.00 H new ATOM 123 N PHE A 9 11.875 4.211 0.381 1.00 0.00 N ATOM 124 CA PHE A 9 13.078 3.334 0.332 1.00 0.00 C ATOM 125 C PHE A 9 14.213 3.978 1.134 1.00 0.00 C ATOM 126 O PHE A 9 14.288 5.186 1.238 1.00 0.00 O ATOM 127 CB PHE A 9 13.519 3.156 -1.123 1.00 0.00 C ATOM 128 CG PHE A 9 12.304 2.951 -1.995 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.675 1.699 -2.037 1.00 0.00 C ATOM 130 CD2 PHE A 9 11.807 4.011 -2.764 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.547 1.509 -2.847 1.00 0.00 C ATOM 132 CE2 PHE A 9 10.680 3.821 -3.574 1.00 0.00 C ATOM 133 CZ PHE A 9 10.050 2.569 -3.615 1.00 0.00 C ATOM 0 H PHE A 9 11.660 4.701 -0.487 1.00 0.00 H new ATOM 0 HA PHE A 9 12.837 2.361 0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.075 4.033 -1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.190 2.301 -1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.059 0.881 -1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.293 4.975 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.061 0.545 -2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.297 4.638 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.181 2.422 -4.239 1.00 0.00 H new ATOM 143 N PRO A 10 15.063 3.146 1.678 1.00 0.00 N ATOM 144 CA PRO A 10 16.213 3.598 2.482 1.00 0.00 C ATOM 145 C PRO A 10 17.340 4.094 1.571 1.00 0.00 C ATOM 146 O PRO A 10 17.249 4.023 0.361 1.00 0.00 O ATOM 147 CB PRO A 10 16.638 2.336 3.239 1.00 0.00 C ATOM 148 CG PRO A 10 16.099 1.136 2.424 1.00 0.00 C ATOM 149 CD PRO A 10 14.958 1.678 1.543 1.00 0.00 C ATOM 0 HA PRO A 10 15.973 4.428 3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.723 2.286 3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.230 2.334 4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.887 0.699 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.737 0.350 3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.072 1.364 0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.987 1.315 1.881 1.00 0.00 H new ATOM 157 N GLU A 11 18.400 4.596 2.143 1.00 0.00 N ATOM 158 CA GLU A 11 19.530 5.096 1.309 1.00 0.00 C ATOM 159 C GLU A 11 20.023 3.973 0.393 1.00 0.00 C ATOM 160 O GLU A 11 20.156 4.150 -0.802 1.00 0.00 O ATOM 161 CB GLU A 11 20.673 5.550 2.220 1.00 0.00 C ATOM 162 CG GLU A 11 20.919 7.047 2.022 1.00 0.00 C ATOM 163 CD GLU A 11 21.783 7.579 3.166 1.00 0.00 C ATOM 164 OE1 GLU A 11 22.402 6.771 3.840 1.00 0.00 O ATOM 165 OE2 GLU A 11 21.811 8.784 3.350 1.00 0.00 O ATOM 0 H GLU A 11 18.533 4.682 3.151 1.00 0.00 H new ATOM 0 HA GLU A 11 19.192 5.937 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.425 5.346 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.579 4.988 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.414 7.221 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.969 7.581 1.991 1.00 0.00 H new ATOM 172 N SER A 12 20.297 2.822 0.944 1.00 0.00 N ATOM 173 CA SER A 12 20.784 1.690 0.110 1.00 0.00 C ATOM 174 C SER A 12 19.970 1.619 -1.184 1.00 0.00 C ATOM 175 O SER A 12 20.512 1.487 -2.264 1.00 0.00 O ATOM 176 CB SER A 12 20.625 0.382 0.884 1.00 0.00 C ATOM 177 OG SER A 12 21.421 -0.625 0.273 1.00 0.00 O ATOM 0 H SER A 12 20.204 2.618 1.939 1.00 0.00 H new ATOM 0 HA SER A 12 21.836 1.845 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.928 0.521 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.578 0.078 0.895 1.00 0.00 H new ATOM 0 HG SER A 12 21.323 -1.465 0.768 1.00 0.00 H new ATOM 183 N ILE A 13 18.671 1.706 -1.085 1.00 0.00 N ATOM 184 CA ILE A 13 17.825 1.643 -2.309 1.00 0.00 C ATOM 185 C ILE A 13 17.564 3.060 -2.822 1.00 0.00 C ATOM 186 O ILE A 13 17.521 4.007 -2.063 1.00 0.00 O ATOM 187 CB ILE A 13 16.493 0.968 -1.974 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.758 -0.435 -1.422 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.640 0.864 -3.239 1.00 0.00 C ATOM 190 CD1 ILE A 13 15.497 -0.958 -0.733 1.00 0.00 C ATOM 0 H ILE A 13 18.160 1.818 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 13 18.341 1.068 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 13 15.964 1.560 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.049 -1.106 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.587 -0.409 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.692 0.383 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.451 1.862 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.168 0.272 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.685 -1.957 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.226 -0.291 0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.680 -0.999 -1.453 1.00 0.00 H new ATOM 202 N ALA A 14 17.387 3.214 -4.105 1.00 0.00 N ATOM 203 CA ALA A 14 17.130 4.570 -4.666 1.00 0.00 C ATOM 204 C ALA A 14 15.860 4.537 -5.518 1.00 0.00 C ATOM 205 O ALA A 14 15.614 5.419 -6.317 1.00 0.00 O ATOM 206 CB ALA A 14 18.316 4.998 -5.532 1.00 0.00 C ATOM 0 H ALA A 14 17.409 2.458 -4.790 1.00 0.00 H new ATOM 0 HA ALA A 14 17.002 5.282 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.128 5.990 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.220 5.022 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.446 4.287 -6.348 1.00 0.00 H new ATOM 212 N ASP A 15 15.051 3.526 -5.357 1.00 0.00 N ATOM 213 CA ASP A 15 13.799 3.437 -6.158 1.00 0.00 C ATOM 214 C ASP A 15 13.054 2.149 -5.800 1.00 0.00 C ATOM 215 O ASP A 15 13.384 1.475 -4.846 1.00 0.00 O ATOM 216 CB ASP A 15 14.147 3.427 -7.649 1.00 0.00 C ATOM 217 CG ASP A 15 15.454 2.663 -7.862 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.479 1.478 -7.575 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.410 3.277 -8.308 1.00 0.00 O ATOM 0 H ASP A 15 15.204 2.757 -4.704 1.00 0.00 H new ATOM 0 HA ASP A 15 13.165 4.296 -5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.343 2.960 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.246 4.448 -8.017 1.00 0.00 H new ATOM 224 N GLY A 16 12.051 1.803 -6.561 1.00 0.00 N ATOM 225 CA GLY A 16 11.285 0.558 -6.262 1.00 0.00 C ATOM 226 C GLY A 16 10.778 -0.055 -7.569 1.00 0.00 C ATOM 227 O GLY A 16 11.070 0.426 -8.645 1.00 0.00 O ATOM 0 H GLY A 16 11.729 2.327 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.920 -0.155 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.446 0.784 -5.604 1.00 0.00 H new ATOM 231 N THR A 17 10.020 -1.113 -7.484 1.00 0.00 N ATOM 232 CA THR A 17 9.496 -1.756 -8.721 1.00 0.00 C ATOM 233 C THR A 17 8.146 -2.412 -8.423 1.00 0.00 C ATOM 234 O THR A 17 8.058 -3.345 -7.649 1.00 0.00 O ATOM 235 CB THR A 17 10.485 -2.818 -9.204 1.00 0.00 C ATOM 236 OG1 THR A 17 11.712 -2.194 -9.556 1.00 0.00 O ATOM 237 CG2 THR A 17 9.909 -3.539 -10.424 1.00 0.00 C ATOM 0 H THR A 17 9.741 -1.560 -6.611 1.00 0.00 H new ATOM 0 HA THR A 17 9.369 -1.001 -9.496 1.00 0.00 H new ATOM 0 HB THR A 17 10.659 -3.541 -8.407 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.348 -2.873 -9.864 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.615 -4.295 -10.767 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.968 -4.018 -10.153 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.733 -2.819 -11.223 1.00 0.00 H new ATOM 245 N VAL A 18 7.095 -1.934 -9.029 1.00 0.00 N ATOM 246 CA VAL A 18 5.753 -2.532 -8.779 1.00 0.00 C ATOM 247 C VAL A 18 5.839 -4.052 -8.926 1.00 0.00 C ATOM 248 O VAL A 18 6.827 -4.586 -9.390 1.00 0.00 O ATOM 249 CB VAL A 18 4.752 -1.976 -9.792 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.345 -2.464 -9.439 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.784 -0.447 -9.754 1.00 0.00 C ATOM 0 H VAL A 18 7.107 -1.155 -9.687 1.00 0.00 H new ATOM 0 HA VAL A 18 5.424 -2.283 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 18 5.017 -2.321 -10.791 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.631 -2.068 -10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.321 -3.553 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.080 -2.119 -8.440 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.070 -0.050 -10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.519 -0.102 -8.755 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.786 -0.098 -10.004 1.00 0.00 H new ATOM 261 N ALA A 19 4.812 -4.755 -8.534 1.00 0.00 N ATOM 262 CA ALA A 19 4.836 -6.240 -8.651 1.00 0.00 C ATOM 263 C ALA A 19 3.774 -6.691 -9.655 1.00 0.00 C ATOM 264 O ALA A 19 4.080 -7.082 -10.765 1.00 0.00 O ATOM 265 CB ALA A 19 4.544 -6.864 -7.286 1.00 0.00 C ATOM 0 H ALA A 19 3.957 -4.365 -8.138 1.00 0.00 H new ATOM 0 HA ALA A 19 5.820 -6.561 -8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.561 -7.951 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.301 -6.544 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.561 -6.543 -6.942 1.00 0.00 H new ATOM 271 N THR A 20 2.526 -6.641 -9.276 1.00 0.00 N ATOM 272 CA THR A 20 1.446 -7.068 -10.210 1.00 0.00 C ATOM 273 C THR A 20 0.113 -6.471 -9.757 1.00 0.00 C ATOM 274 O THR A 20 -0.235 -6.513 -8.593 1.00 0.00 O ATOM 275 CB THR A 20 1.347 -8.596 -10.209 1.00 0.00 C ATOM 276 OG1 THR A 20 2.504 -9.144 -10.825 1.00 0.00 O ATOM 277 CG2 THR A 20 0.100 -9.029 -10.982 1.00 0.00 C ATOM 0 H THR A 20 2.208 -6.323 -8.361 1.00 0.00 H new ATOM 0 HA THR A 20 1.677 -6.718 -11.216 1.00 0.00 H new ATOM 0 HB THR A 20 1.277 -8.956 -9.182 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.046 -8.421 -11.205 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.031 -10.117 -10.981 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.787 -8.608 -10.508 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.166 -8.671 -12.009 1.00 0.00 H new ATOM 285 N TRP A 21 -0.639 -5.914 -10.667 1.00 0.00 N ATOM 286 CA TRP A 21 -1.943 -5.315 -10.296 1.00 0.00 C ATOM 287 C TRP A 21 -3.043 -6.375 -10.403 1.00 0.00 C ATOM 288 O TRP A 21 -3.617 -6.583 -11.454 1.00 0.00 O ATOM 289 CB TRP A 21 -2.242 -4.167 -11.255 1.00 0.00 C ATOM 290 CG TRP A 21 -1.701 -2.893 -10.692 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.520 -2.328 -11.033 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.300 -2.015 -9.695 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.358 -1.160 -10.308 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.425 -0.927 -9.473 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.504 -2.057 -8.969 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.727 0.082 -8.568 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.816 -1.038 -8.051 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.927 0.032 -7.851 1.00 0.00 C ATOM 0 H TRP A 21 -0.400 -5.850 -11.657 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.906 -4.944 -9.272 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.794 -4.366 -12.228 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.317 -4.080 -11.411 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.181 -2.723 -11.753 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.454 -0.547 -10.384 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.192 -2.876 -9.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.039 0.901 -8.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.743 -1.078 -7.498 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.170 0.813 -7.146 1.00 0.00 H new ATOM 309 N HIS A 22 -3.337 -7.048 -9.325 1.00 0.00 N ATOM 310 CA HIS A 22 -4.405 -8.099 -9.375 1.00 0.00 C ATOM 311 C HIS A 22 -5.699 -7.484 -9.910 1.00 0.00 C ATOM 312 O HIS A 22 -6.108 -7.746 -11.024 1.00 0.00 O ATOM 313 CB HIS A 22 -4.664 -8.676 -7.975 1.00 0.00 C ATOM 314 CG HIS A 22 -3.402 -8.620 -7.169 1.00 0.00 C ATOM 315 ND1 HIS A 22 -3.024 -7.477 -6.488 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.395 -9.530 -6.965 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.834 -7.718 -5.924 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.402 -8.956 -6.178 1.00 0.00 N ATOM 0 H HIS A 22 -2.891 -6.921 -8.416 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.071 -8.902 -10.032 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.451 -8.110 -7.477 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.012 -9.706 -8.053 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.376 -10.537 -7.355 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.288 -6.997 -5.334 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.533 -9.387 -5.863 1.00 0.00 H new ATOM 326 N LYS A 23 -6.350 -6.671 -9.124 1.00 0.00 N ATOM 327 CA LYS A 23 -7.619 -6.043 -9.586 1.00 0.00 C ATOM 328 C LYS A 23 -7.303 -4.788 -10.405 1.00 0.00 C ATOM 329 O LYS A 23 -6.161 -4.505 -10.708 1.00 0.00 O ATOM 330 CB LYS A 23 -8.470 -5.659 -8.374 1.00 0.00 C ATOM 331 CG LYS A 23 -9.688 -6.580 -8.290 1.00 0.00 C ATOM 332 CD LYS A 23 -9.246 -7.969 -7.821 1.00 0.00 C ATOM 333 CE LYS A 23 -10.479 -8.805 -7.472 1.00 0.00 C ATOM 334 NZ LYS A 23 -10.710 -9.819 -8.539 1.00 0.00 N ATOM 0 H LYS A 23 -6.057 -6.415 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.168 -6.752 -10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.878 -5.738 -7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.791 -4.621 -8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.422 -6.167 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.172 -6.650 -9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.668 -8.462 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.595 -7.881 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.336 -9.299 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.352 -8.160 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.548 -10.387 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.864 -9.338 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.880 -10.441 -8.613 1.00 0.00 H new ATOM 348 N LYS A 24 -8.307 -4.037 -10.764 1.00 0.00 N ATOM 349 CA LYS A 24 -8.069 -2.802 -11.562 1.00 0.00 C ATOM 350 C LYS A 24 -8.921 -1.661 -11.002 1.00 0.00 C ATOM 351 O LYS A 24 -9.816 -1.888 -10.212 1.00 0.00 O ATOM 352 CB LYS A 24 -8.453 -3.057 -13.021 1.00 0.00 C ATOM 353 CG LYS A 24 -7.188 -3.145 -13.876 1.00 0.00 C ATOM 354 CD LYS A 24 -7.525 -2.787 -15.325 1.00 0.00 C ATOM 355 CE LYS A 24 -6.504 -3.436 -16.262 1.00 0.00 C ATOM 356 NZ LYS A 24 -6.400 -4.889 -15.954 1.00 0.00 N ATOM 0 H LYS A 24 -9.284 -4.226 -10.539 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.015 -2.530 -11.506 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.023 -3.982 -13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.095 -2.254 -13.384 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.428 -2.466 -13.490 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.772 -4.151 -13.826 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.530 -3.130 -15.571 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.517 -1.705 -15.455 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.806 -3.294 -17.300 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.531 -2.958 -16.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.219 -5.418 -16.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.618 -5.047 -15.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.290 -5.218 -15.529 1.00 0.00 H new ATOM 370 N PRO A 25 -8.618 -0.463 -11.432 1.00 0.00 N ATOM 371 CA PRO A 25 -9.340 0.745 -10.996 1.00 0.00 C ATOM 372 C PRO A 25 -10.690 0.850 -11.711 1.00 0.00 C ATOM 373 O PRO A 25 -10.800 0.584 -12.893 1.00 0.00 O ATOM 374 CB PRO A 25 -8.410 1.889 -11.412 1.00 0.00 C ATOM 375 CG PRO A 25 -7.511 1.331 -12.540 1.00 0.00 C ATOM 376 CD PRO A 25 -7.527 -0.203 -12.395 1.00 0.00 C ATOM 0 HA PRO A 25 -9.562 0.750 -9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.983 2.748 -11.761 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.809 2.228 -10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.885 1.632 -13.519 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.496 1.718 -12.454 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.714 -0.692 -13.351 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.572 -0.579 -12.027 1.00 0.00 H new ATOM 384 N GLY A 26 -11.718 1.233 -11.005 1.00 0.00 N ATOM 385 CA GLY A 26 -13.059 1.354 -11.645 1.00 0.00 C ATOM 386 C GLY A 26 -13.952 0.201 -11.181 1.00 0.00 C ATOM 387 O GLY A 26 -15.141 0.187 -11.430 1.00 0.00 O ATOM 0 H GLY A 26 -11.688 1.467 -10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.514 2.309 -11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.959 1.336 -12.730 1.00 0.00 H new ATOM 391 N GLU A 27 -13.389 -0.764 -10.509 1.00 0.00 N ATOM 392 CA GLU A 27 -14.208 -1.914 -10.031 1.00 0.00 C ATOM 393 C GLU A 27 -14.500 -1.745 -8.538 1.00 0.00 C ATOM 394 O GLU A 27 -14.175 -0.738 -7.942 1.00 0.00 O ATOM 395 CB GLU A 27 -13.437 -3.217 -10.255 1.00 0.00 C ATOM 396 CG GLU A 27 -12.689 -3.145 -11.587 1.00 0.00 C ATOM 397 CD GLU A 27 -13.658 -2.729 -12.695 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.847 -2.942 -12.526 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.195 -2.204 -13.695 1.00 0.00 O ATOM 0 H GLU A 27 -12.398 -0.807 -10.270 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.147 -1.947 -10.584 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.733 -3.380 -9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.124 -4.063 -10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.870 -2.429 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.247 -4.114 -11.821 1.00 0.00 H new ATOM 406 N ALA A 28 -15.114 -2.724 -7.931 1.00 0.00 N ATOM 407 CA ALA A 28 -15.427 -2.618 -6.477 1.00 0.00 C ATOM 408 C ALA A 28 -14.460 -3.497 -5.682 1.00 0.00 C ATOM 409 O ALA A 28 -14.020 -4.530 -6.145 1.00 0.00 O ATOM 410 CB ALA A 28 -16.863 -3.086 -6.230 1.00 0.00 C ATOM 0 H ALA A 28 -15.412 -3.591 -8.378 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.322 -1.581 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.093 -3.009 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.552 -2.460 -6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.968 -4.123 -6.550 1.00 0.00 H new ATOM 416 N VAL A 29 -14.125 -3.095 -4.486 1.00 0.00 N ATOM 417 CA VAL A 29 -13.187 -3.908 -3.663 1.00 0.00 C ATOM 418 C VAL A 29 -13.784 -4.121 -2.270 1.00 0.00 C ATOM 419 O VAL A 29 -14.938 -3.824 -2.027 1.00 0.00 O ATOM 420 CB VAL A 29 -11.851 -3.174 -3.537 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.269 -2.931 -4.931 1.00 0.00 C ATOM 422 CG2 VAL A 29 -12.072 -1.832 -2.836 1.00 0.00 C ATOM 0 H VAL A 29 -14.461 -2.239 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.027 -4.874 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.157 -3.779 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.317 -2.408 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.112 -3.887 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.962 -2.325 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.121 -1.308 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.766 -1.227 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.487 -2.004 -1.843 1.00 0.00 H new ATOM 432 N LYS A 30 -13.009 -4.632 -1.352 1.00 0.00 N ATOM 433 CA LYS A 30 -13.534 -4.862 0.023 1.00 0.00 C ATOM 434 C LYS A 30 -12.369 -4.906 1.013 1.00 0.00 C ATOM 435 O LYS A 30 -11.327 -5.465 0.734 1.00 0.00 O ATOM 436 CB LYS A 30 -14.290 -6.191 0.065 1.00 0.00 C ATOM 437 CG LYS A 30 -14.708 -6.497 1.504 1.00 0.00 C ATOM 438 CD LYS A 30 -15.816 -5.531 1.930 1.00 0.00 C ATOM 439 CE LYS A 30 -16.082 -5.687 3.428 1.00 0.00 C ATOM 440 NZ LYS A 30 -17.304 -6.516 3.631 1.00 0.00 N ATOM 0 H LYS A 30 -12.035 -4.900 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.210 -4.051 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.169 -6.141 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.659 -6.992 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.059 -7.526 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.851 -6.401 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.524 -4.505 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.726 -5.733 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.226 -6.156 3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.213 -4.708 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.486 -6.623 4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.118 -6.051 3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.162 -7.454 3.205 1.00 0.00 H new ATOM 454 N ARG A 31 -12.535 -4.318 2.166 1.00 0.00 N ATOM 455 CA ARG A 31 -11.440 -4.322 3.174 1.00 0.00 C ATOM 456 C ARG A 31 -10.801 -5.711 3.233 1.00 0.00 C ATOM 457 O ARG A 31 -11.419 -6.704 2.907 1.00 0.00 O ATOM 458 CB ARG A 31 -12.011 -3.965 4.548 1.00 0.00 C ATOM 459 CG ARG A 31 -10.950 -3.222 5.364 1.00 0.00 C ATOM 460 CD ARG A 31 -11.008 -3.689 6.820 1.00 0.00 C ATOM 461 NE ARG A 31 -10.115 -4.869 6.999 1.00 0.00 N ATOM 462 CZ ARG A 31 -9.965 -5.400 8.181 1.00 0.00 C ATOM 463 NH1 ARG A 31 -9.514 -4.677 9.170 1.00 0.00 N ATOM 464 NH2 ARG A 31 -10.266 -6.655 8.376 1.00 0.00 N ATOM 0 H ARG A 31 -13.385 -3.834 2.453 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.685 -3.588 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.899 -3.343 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.320 -4.870 5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.959 -3.410 4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.120 -2.147 5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.700 -2.882 7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.032 -3.950 7.089 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.621 -5.261 6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.279 -3.696 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.397 -5.093 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.619 -7.221 7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.149 -7.070 9.300 1.00 0.00 H new ATOM 478 N ASP A 32 -9.565 -5.788 3.647 1.00 0.00 N ATOM 479 CA ASP A 32 -8.888 -7.113 3.726 1.00 0.00 C ATOM 480 C ASP A 32 -8.848 -7.749 2.335 1.00 0.00 C ATOM 481 O ASP A 32 -8.926 -8.952 2.189 1.00 0.00 O ATOM 482 CB ASP A 32 -9.661 -8.025 4.682 1.00 0.00 C ATOM 483 CG ASP A 32 -8.696 -9.016 5.335 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.288 -9.948 4.661 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.381 -8.826 6.499 1.00 0.00 O ATOM 0 H ASP A 32 -8.996 -4.991 3.933 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.871 -6.980 4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.159 -7.429 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.439 -8.562 4.139 1.00 0.00 H new ATOM 490 N GLU A 33 -8.727 -6.950 1.311 1.00 0.00 N ATOM 491 CA GLU A 33 -8.681 -7.508 -0.070 1.00 0.00 C ATOM 492 C GLU A 33 -7.434 -6.990 -0.789 1.00 0.00 C ATOM 493 O GLU A 33 -7.306 -5.812 -1.057 1.00 0.00 O ATOM 494 CB GLU A 33 -9.931 -7.073 -0.838 1.00 0.00 C ATOM 495 CG GLU A 33 -9.957 -7.763 -2.204 1.00 0.00 C ATOM 496 CD GLU A 33 -11.005 -7.092 -3.094 1.00 0.00 C ATOM 497 OE1 GLU A 33 -10.688 -6.072 -3.682 1.00 0.00 O ATOM 498 OE2 GLU A 33 -12.106 -7.611 -3.173 1.00 0.00 O ATOM 0 H GLU A 33 -8.658 -5.934 1.371 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.645 -8.596 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.826 -7.330 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.934 -5.990 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.975 -7.703 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.189 -8.821 -2.085 1.00 0.00 H new ATOM 505 N LEU A 34 -6.513 -7.862 -1.101 1.00 0.00 N ATOM 506 CA LEU A 34 -5.274 -7.423 -1.801 1.00 0.00 C ATOM 507 C LEU A 34 -5.633 -6.426 -2.904 1.00 0.00 C ATOM 508 O LEU A 34 -6.762 -6.357 -3.349 1.00 0.00 O ATOM 509 CB LEU A 34 -4.581 -8.640 -2.419 1.00 0.00 C ATOM 510 CG LEU A 34 -3.275 -8.201 -3.083 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.344 -7.601 -2.028 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.599 -9.412 -3.727 1.00 0.00 C ATOM 0 H LEU A 34 -6.567 -8.861 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.604 -6.945 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.378 -9.385 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.235 -9.110 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.489 -7.454 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.413 -7.288 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.825 -6.738 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.130 -8.349 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.668 -9.100 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.385 -10.158 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.262 -9.842 -4.478 1.00 0.00 H new ATOM 524 N ILE A 35 -4.682 -5.650 -3.348 1.00 0.00 N ATOM 525 CA ILE A 35 -4.971 -4.659 -4.422 1.00 0.00 C ATOM 526 C ILE A 35 -3.773 -4.566 -5.369 1.00 0.00 C ATOM 527 O ILE A 35 -3.924 -4.541 -6.574 1.00 0.00 O ATOM 528 CB ILE A 35 -5.230 -3.288 -3.793 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.043 -3.464 -2.507 1.00 0.00 C ATOM 530 CG2 ILE A 35 -6.013 -2.414 -4.774 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.435 -2.090 -1.959 1.00 0.00 C ATOM 0 H ILE A 35 -3.718 -5.660 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.851 -4.976 -4.981 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.278 -2.809 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.936 -4.056 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.458 -4.009 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.197 -1.438 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.436 -2.289 -5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.965 -2.891 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.014 -2.215 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.535 -1.514 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.036 -1.561 -2.699 1.00 0.00 H new ATOM 543 N VAL A 36 -2.584 -4.516 -4.834 1.00 0.00 N ATOM 544 CA VAL A 36 -1.379 -4.426 -5.706 1.00 0.00 C ATOM 545 C VAL A 36 -0.144 -4.854 -4.913 1.00 0.00 C ATOM 546 O VAL A 36 0.018 -4.508 -3.759 1.00 0.00 O ATOM 547 CB VAL A 36 -1.204 -2.983 -6.185 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.957 -2.072 -4.981 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.007 -2.906 -7.135 1.00 0.00 C ATOM 0 H VAL A 36 -2.395 -4.534 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.503 -5.082 -6.567 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.105 -2.660 -6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.832 -1.044 -5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.807 -2.128 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.055 -2.394 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.120 -1.879 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.894 -3.228 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.181 -3.556 -7.993 1.00 0.00 H new ATOM 559 N ASP A 37 0.733 -5.605 -5.522 1.00 0.00 N ATOM 560 CA ASP A 37 1.957 -6.056 -4.804 1.00 0.00 C ATOM 561 C ASP A 37 3.125 -5.136 -5.164 1.00 0.00 C ATOM 562 O ASP A 37 3.190 -4.594 -6.250 1.00 0.00 O ATOM 563 CB ASP A 37 2.292 -7.491 -5.216 1.00 0.00 C ATOM 564 CG ASP A 37 1.585 -8.469 -4.275 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.007 -8.012 -3.302 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.635 -9.658 -4.543 1.00 0.00 O ATOM 0 H ASP A 37 0.654 -5.926 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 37 1.782 -6.019 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.978 -7.668 -6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.370 -7.649 -5.180 1.00 0.00 H new ATOM 571 N ILE A 38 4.050 -4.955 -4.262 1.00 0.00 N ATOM 572 CA ILE A 38 5.213 -4.069 -4.554 1.00 0.00 C ATOM 573 C ILE A 38 6.511 -4.862 -4.388 1.00 0.00 C ATOM 574 O ILE A 38 6.561 -5.850 -3.682 1.00 0.00 O ATOM 575 CB ILE A 38 5.210 -2.887 -3.583 1.00 0.00 C ATOM 576 CG1 ILE A 38 3.896 -2.115 -3.727 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.382 -1.959 -3.905 1.00 0.00 C ATOM 578 CD1 ILE A 38 3.600 -1.366 -2.427 1.00 0.00 C ATOM 0 H ILE A 38 4.051 -5.382 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 38 5.141 -3.699 -5.577 1.00 0.00 H new ATOM 0 HB ILE A 38 5.308 -3.255 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.964 -1.412 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.082 -2.802 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.380 -1.117 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.319 -2.508 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.284 -1.590 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.664 -0.816 -2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.514 -2.080 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.410 -0.668 -2.217 1.00 0.00 H new ATOM 590 N GLU A 39 7.564 -4.436 -5.032 1.00 0.00 N ATOM 591 CA GLU A 39 8.857 -5.166 -4.910 1.00 0.00 C ATOM 592 C GLU A 39 9.993 -4.160 -4.714 1.00 0.00 C ATOM 593 O GLU A 39 9.909 -3.024 -5.134 1.00 0.00 O ATOM 594 CB GLU A 39 9.108 -5.976 -6.184 1.00 0.00 C ATOM 595 CG GLU A 39 10.245 -6.970 -5.942 1.00 0.00 C ATOM 596 CD GLU A 39 11.453 -6.581 -6.796 1.00 0.00 C ATOM 597 OE1 GLU A 39 11.255 -6.266 -7.959 1.00 0.00 O ATOM 598 OE2 GLU A 39 12.556 -6.605 -6.274 1.00 0.00 O ATOM 0 H GLU A 39 7.584 -3.615 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 39 8.815 -5.839 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.202 -6.508 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.363 -5.309 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.519 -6.976 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.919 -7.980 -6.192 1.00 0.00 H new ATOM 605 N THR A 40 11.056 -4.568 -4.076 1.00 0.00 N ATOM 606 CA THR A 40 12.196 -3.636 -3.853 1.00 0.00 C ATOM 607 C THR A 40 13.515 -4.387 -4.045 1.00 0.00 C ATOM 608 O THR A 40 13.531 -5.561 -4.357 1.00 0.00 O ATOM 609 CB THR A 40 12.128 -3.079 -2.429 1.00 0.00 C ATOM 610 OG1 THR A 40 11.024 -3.658 -1.748 1.00 0.00 O ATOM 611 CG2 THR A 40 11.960 -1.560 -2.480 1.00 0.00 C ATOM 0 H THR A 40 11.184 -5.507 -3.700 1.00 0.00 H new ATOM 0 HA THR A 40 12.139 -2.815 -4.568 1.00 0.00 H new ATOM 0 HB THR A 40 13.049 -3.322 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.090 -4.635 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.912 -1.165 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.809 -1.117 -3.002 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.040 -1.313 -3.009 1.00 0.00 H new ATOM 619 N ASP A 41 14.621 -3.717 -3.865 1.00 0.00 N ATOM 620 CA ASP A 41 15.939 -4.388 -4.038 1.00 0.00 C ATOM 621 C ASP A 41 15.898 -5.774 -3.391 1.00 0.00 C ATOM 622 O ASP A 41 15.911 -6.784 -4.065 1.00 0.00 O ATOM 623 CB ASP A 41 17.030 -3.546 -3.371 1.00 0.00 C ATOM 624 CG ASP A 41 18.391 -3.914 -3.964 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.753 -5.077 -3.890 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.049 -3.026 -4.482 1.00 0.00 O ATOM 0 H ASP A 41 14.668 -2.732 -3.605 1.00 0.00 H new ATOM 0 HA ASP A 41 16.156 -4.491 -5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.830 -2.485 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.031 -3.719 -2.295 1.00 0.00 H new ATOM 631 N LYS A 42 15.848 -5.830 -2.088 1.00 0.00 N ATOM 632 CA LYS A 42 15.807 -7.151 -1.401 1.00 0.00 C ATOM 633 C LYS A 42 14.652 -7.166 -0.397 1.00 0.00 C ATOM 634 O LYS A 42 14.742 -7.761 0.659 1.00 0.00 O ATOM 635 CB LYS A 42 17.127 -7.384 -0.664 1.00 0.00 C ATOM 636 CG LYS A 42 18.287 -7.320 -1.659 1.00 0.00 C ATOM 637 CD LYS A 42 19.216 -8.514 -1.441 1.00 0.00 C ATOM 638 CE LYS A 42 20.619 -8.171 -1.946 1.00 0.00 C ATOM 639 NZ LYS A 42 21.270 -9.401 -2.478 1.00 0.00 N ATOM 0 H LYS A 42 15.834 -5.018 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 42 15.659 -7.940 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.259 -6.631 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.112 -8.355 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.905 -7.326 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.839 -6.389 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.252 -8.771 -0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.832 -9.387 -1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.561 -7.411 -2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 42 21.216 -7.752 -1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 22.224 -9.168 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 21.338 -10.112 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.703 -9.782 -3.262 1.00 0.00 H new ATOM 653 N VAL A 43 13.566 -6.517 -0.717 1.00 0.00 N ATOM 654 CA VAL A 43 12.408 -6.494 0.219 1.00 0.00 C ATOM 655 C VAL A 43 11.105 -6.523 -0.582 1.00 0.00 C ATOM 656 O VAL A 43 11.050 -6.081 -1.713 1.00 0.00 O ATOM 657 CB VAL A 43 12.460 -5.220 1.064 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.474 -5.337 2.227 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.876 -5.031 1.612 1.00 0.00 C ATOM 0 H VAL A 43 13.431 -6.002 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 43 12.452 -7.365 0.873 1.00 0.00 H new ATOM 0 HB VAL A 43 12.191 -4.363 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.512 -4.429 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.465 -5.472 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.741 -6.194 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.915 -4.123 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.145 -5.888 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.579 -4.947 0.783 1.00 0.00 H new ATOM 669 N VAL A 44 10.054 -7.041 -0.007 1.00 0.00 N ATOM 670 CA VAL A 44 8.756 -7.096 -0.736 1.00 0.00 C ATOM 671 C VAL A 44 7.646 -6.539 0.156 1.00 0.00 C ATOM 672 O VAL A 44 7.734 -6.572 1.367 1.00 0.00 O ATOM 673 CB VAL A 44 8.438 -8.548 -1.100 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.149 -8.598 -1.922 1.00 0.00 C ATOM 675 CG2 VAL A 44 9.589 -9.130 -1.922 1.00 0.00 C ATOM 0 H VAL A 44 10.039 -7.428 0.936 1.00 0.00 H new ATOM 0 HA VAL A 44 8.824 -6.499 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 44 8.310 -9.131 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.923 -9.632 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.328 -8.182 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.276 -8.015 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.364 -10.164 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.717 -8.546 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.508 -9.095 -1.337 1.00 0.00 H new ATOM 685 N MET A 45 6.599 -6.027 -0.432 1.00 0.00 N ATOM 686 CA MET A 45 5.484 -5.469 0.382 1.00 0.00 C ATOM 687 C MET A 45 4.150 -5.778 -0.299 1.00 0.00 C ATOM 688 O MET A 45 4.106 -6.186 -1.442 1.00 0.00 O ATOM 689 CB MET A 45 5.654 -3.953 0.508 1.00 0.00 C ATOM 690 CG MET A 45 6.607 -3.639 1.662 1.00 0.00 C ATOM 691 SD MET A 45 5.861 -4.175 3.223 1.00 0.00 S ATOM 692 CE MET A 45 6.689 -2.975 4.293 1.00 0.00 C ATOM 0 H MET A 45 6.468 -5.971 -1.442 1.00 0.00 H new ATOM 0 HA MET A 45 5.498 -5.920 1.374 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.045 -3.542 -0.423 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.687 -3.482 0.683 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.560 -4.146 1.509 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.816 -2.570 1.695 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.370 -3.126 5.324 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.768 -3.110 4.224 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.429 -1.965 3.977 1.00 0.00 H new ATOM 702 N GLU A 46 3.061 -5.587 0.395 1.00 0.00 N ATOM 703 CA GLU A 46 1.730 -5.870 -0.215 1.00 0.00 C ATOM 704 C GLU A 46 0.815 -4.659 -0.027 1.00 0.00 C ATOM 705 O GLU A 46 1.002 -3.860 0.870 1.00 0.00 O ATOM 706 CB GLU A 46 1.108 -7.091 0.466 1.00 0.00 C ATOM 707 CG GLU A 46 2.172 -8.175 0.645 1.00 0.00 C ATOM 708 CD GLU A 46 2.261 -8.563 2.122 1.00 0.00 C ATOM 709 OE1 GLU A 46 2.234 -7.671 2.952 1.00 0.00 O ATOM 710 OE2 GLU A 46 2.355 -9.748 2.397 1.00 0.00 O ATOM 0 H GLU A 46 3.035 -5.248 1.357 1.00 0.00 H new ATOM 0 HA GLU A 46 1.852 -6.070 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.695 -6.809 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.282 -7.473 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.921 -9.048 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.138 -7.813 0.294 1.00 0.00 H new ATOM 717 N VAL A 47 -0.175 -4.517 -0.865 1.00 0.00 N ATOM 718 CA VAL A 47 -1.102 -3.358 -0.733 1.00 0.00 C ATOM 719 C VAL A 47 -2.545 -3.862 -0.678 1.00 0.00 C ATOM 720 O VAL A 47 -3.143 -4.172 -1.689 1.00 0.00 O ATOM 721 CB VAL A 47 -0.932 -2.430 -1.937 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.720 -1.139 -1.704 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.551 -2.094 -2.115 1.00 0.00 C ATOM 0 H VAL A 47 -0.382 -5.153 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.873 -2.812 0.182 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.305 -2.927 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.598 -0.478 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.776 -1.376 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.348 -0.642 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.674 -1.433 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.922 -1.598 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.115 -3.012 -2.281 1.00 0.00 H new ATOM 733 N LEU A 48 -3.109 -3.946 0.496 1.00 0.00 N ATOM 734 CA LEU A 48 -4.508 -4.428 0.619 1.00 0.00 C ATOM 735 C LEU A 48 -5.438 -3.235 0.852 1.00 0.00 C ATOM 736 O LEU A 48 -5.001 -2.150 1.181 1.00 0.00 O ATOM 737 CB LEU A 48 -4.623 -5.401 1.799 1.00 0.00 C ATOM 738 CG LEU A 48 -3.459 -5.214 2.776 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.782 -5.920 4.094 1.00 0.00 C ATOM 740 CD2 LEU A 48 -2.186 -5.816 2.176 1.00 0.00 C ATOM 0 H LEU A 48 -2.657 -3.700 1.377 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.792 -4.942 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.568 -5.240 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.633 -6.427 1.430 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.307 -4.150 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.954 -5.787 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.689 -5.493 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.934 -6.983 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.358 -5.683 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.338 -6.880 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.955 -5.315 1.236 1.00 0.00 H new ATOM 752 N ALA A 49 -6.718 -3.428 0.685 1.00 0.00 N ATOM 753 CA ALA A 49 -7.674 -2.305 0.898 1.00 0.00 C ATOM 754 C ALA A 49 -7.999 -2.186 2.388 1.00 0.00 C ATOM 755 O ALA A 49 -8.349 -3.152 3.037 1.00 0.00 O ATOM 756 CB ALA A 49 -8.961 -2.577 0.116 1.00 0.00 C ATOM 0 H ALA A 49 -7.143 -4.314 0.411 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.225 -1.375 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.661 -1.756 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.730 -2.662 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.409 -3.507 0.465 1.00 0.00 H new ATOM 762 N GLU A 50 -7.886 -1.008 2.937 1.00 0.00 N ATOM 763 CA GLU A 50 -8.188 -0.828 4.385 1.00 0.00 C ATOM 764 C GLU A 50 -9.661 -0.451 4.555 1.00 0.00 C ATOM 765 O GLU A 50 -10.092 -0.064 5.623 1.00 0.00 O ATOM 766 CB GLU A 50 -7.307 0.285 4.956 1.00 0.00 C ATOM 767 CG GLU A 50 -6.554 -0.237 6.181 1.00 0.00 C ATOM 768 CD GLU A 50 -7.300 0.172 7.453 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.402 0.681 7.331 1.00 0.00 O ATOM 770 OE2 GLU A 50 -6.758 -0.030 8.526 1.00 0.00 O ATOM 0 H GLU A 50 -7.598 -0.162 2.445 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.987 -1.758 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.600 0.627 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.920 1.143 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.466 -1.322 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.541 0.164 6.196 1.00 0.00 H new ATOM 777 N ALA A 51 -10.435 -0.560 3.511 1.00 0.00 N ATOM 778 CA ALA A 51 -11.880 -0.207 3.614 1.00 0.00 C ATOM 779 C ALA A 51 -12.508 -0.220 2.220 1.00 0.00 C ATOM 780 O ALA A 51 -11.975 0.340 1.283 1.00 0.00 O ATOM 781 CB ALA A 51 -12.021 1.189 4.225 1.00 0.00 C ATOM 0 H ALA A 51 -10.130 -0.878 2.591 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.388 -0.934 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.077 1.448 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.573 1.198 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.514 1.916 3.591 1.00 0.00 H new ATOM 787 N ASP A 52 -13.639 -0.855 2.075 1.00 0.00 N ATOM 788 CA ASP A 52 -14.301 -0.903 0.741 1.00 0.00 C ATOM 789 C ASP A 52 -14.329 0.505 0.139 1.00 0.00 C ATOM 790 O ASP A 52 -14.012 1.481 0.789 1.00 0.00 O ATOM 791 CB ASP A 52 -15.728 -1.458 0.903 1.00 0.00 C ATOM 792 CG ASP A 52 -16.673 -0.875 -0.155 1.00 0.00 C ATOM 793 OD1 ASP A 52 -17.030 0.284 -0.029 1.00 0.00 O ATOM 794 OD2 ASP A 52 -17.023 -1.601 -1.071 1.00 0.00 O ATOM 0 H ASP A 52 -14.133 -1.342 2.823 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.747 -1.557 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.710 -2.545 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.102 -1.221 1.899 1.00 0.00 H new ATOM 799 N GLY A 53 -14.710 0.609 -1.102 1.00 0.00 N ATOM 800 CA GLY A 53 -14.765 1.944 -1.761 1.00 0.00 C ATOM 801 C GLY A 53 -14.593 1.777 -3.272 1.00 0.00 C ATOM 802 O GLY A 53 -14.780 0.704 -3.812 1.00 0.00 O ATOM 0 H GLY A 53 -14.987 -0.176 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.717 2.429 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.981 2.589 -1.365 1.00 0.00 H new ATOM 806 N VAL A 54 -14.238 2.827 -3.958 1.00 0.00 N ATOM 807 CA VAL A 54 -14.054 2.727 -5.434 1.00 0.00 C ATOM 808 C VAL A 54 -12.649 3.205 -5.807 1.00 0.00 C ATOM 809 O VAL A 54 -12.257 4.312 -5.494 1.00 0.00 O ATOM 810 CB VAL A 54 -15.095 3.598 -6.138 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.731 3.737 -7.617 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.473 2.944 -6.013 1.00 0.00 C ATOM 0 H VAL A 54 -14.067 3.751 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.178 1.690 -5.746 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.115 4.585 -5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.474 4.358 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.749 4.201 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.710 2.751 -8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.217 3.564 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.451 1.957 -6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.734 2.845 -4.959 1.00 0.00 H new ATOM 822 N ILE A 55 -11.890 2.380 -6.474 1.00 0.00 N ATOM 823 CA ILE A 55 -10.513 2.788 -6.867 1.00 0.00 C ATOM 824 C ILE A 55 -10.582 4.006 -7.790 1.00 0.00 C ATOM 825 O ILE A 55 -11.620 4.323 -8.337 1.00 0.00 O ATOM 826 CB ILE A 55 -9.830 1.633 -7.593 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.511 0.528 -6.580 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.535 2.136 -8.241 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.459 -0.420 -7.156 1.00 0.00 C ATOM 0 H ILE A 55 -12.164 1.441 -6.764 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.942 3.045 -5.975 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.487 1.238 -8.368 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.147 0.968 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.417 -0.026 -6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.045 1.313 -8.761 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.768 2.927 -8.953 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.870 2.526 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.238 -1.202 -6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.839 -0.872 -8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.549 0.138 -7.377 1.00 0.00 H new ATOM 841 N ALA A 56 -9.487 4.691 -7.969 1.00 0.00 N ATOM 842 CA ALA A 56 -9.492 5.887 -8.857 1.00 0.00 C ATOM 843 C ALA A 56 -8.844 5.531 -10.196 1.00 0.00 C ATOM 844 O ALA A 56 -9.487 5.531 -11.227 1.00 0.00 O ATOM 845 CB ALA A 56 -8.703 7.018 -8.193 1.00 0.00 C ATOM 0 H ALA A 56 -8.588 4.474 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.519 6.210 -9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.706 7.894 -8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.164 7.272 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.676 6.695 -8.025 1.00 0.00 H new ATOM 851 N GLU A 57 -7.575 5.228 -10.190 1.00 0.00 N ATOM 852 CA GLU A 57 -6.888 4.873 -11.464 1.00 0.00 C ATOM 853 C GLU A 57 -5.384 4.742 -11.212 1.00 0.00 C ATOM 854 O GLU A 57 -4.803 5.498 -10.460 1.00 0.00 O ATOM 855 CB GLU A 57 -7.137 5.971 -12.500 1.00 0.00 C ATOM 856 CG GLU A 57 -7.523 5.333 -13.837 1.00 0.00 C ATOM 857 CD GLU A 57 -8.995 5.624 -14.135 1.00 0.00 C ATOM 858 OE1 GLU A 57 -9.292 6.743 -14.520 1.00 0.00 O ATOM 859 OE2 GLU A 57 -9.801 4.722 -13.973 1.00 0.00 O ATOM 0 H GLU A 57 -6.984 5.211 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.279 3.926 -11.837 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.932 6.634 -12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.242 6.581 -12.621 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.894 5.728 -14.635 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.354 4.257 -13.801 1.00 0.00 H new ATOM 866 N ILE A 58 -4.750 3.787 -11.836 1.00 0.00 N ATOM 867 CA ILE A 58 -3.285 3.608 -11.631 1.00 0.00 C ATOM 868 C ILE A 58 -2.522 4.442 -12.662 1.00 0.00 C ATOM 869 O ILE A 58 -2.903 4.527 -13.812 1.00 0.00 O ATOM 870 CB ILE A 58 -2.922 2.131 -11.800 1.00 0.00 C ATOM 871 CG1 ILE A 58 -3.946 1.267 -11.058 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.529 1.878 -11.220 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.151 1.817 -9.646 1.00 0.00 C ATOM 0 H ILE A 58 -5.183 3.124 -12.478 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.016 3.935 -10.627 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.927 1.875 -12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.893 1.262 -11.598 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.600 0.234 -11.011 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.270 0.826 -11.340 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.799 2.494 -11.745 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.524 2.134 -10.160 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.880 1.202 -9.118 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.203 1.799 -9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.516 2.842 -9.704 1.00 0.00 H new ATOM 885 N VAL A 59 -1.444 5.058 -12.260 1.00 0.00 N ATOM 886 CA VAL A 59 -0.656 5.885 -13.217 1.00 0.00 C ATOM 887 C VAL A 59 0.403 5.012 -13.892 1.00 0.00 C ATOM 888 O VAL A 59 0.496 4.958 -15.103 1.00 0.00 O ATOM 889 CB VAL A 59 0.028 7.026 -12.462 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.908 7.821 -13.427 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.035 7.951 -11.865 1.00 0.00 C ATOM 0 H VAL A 59 -1.075 5.024 -11.310 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.322 6.299 -13.974 1.00 0.00 H new ATOM 0 HB VAL A 59 0.644 6.614 -11.663 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.395 8.634 -12.889 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.665 7.164 -13.855 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.292 8.233 -14.226 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.549 8.764 -11.327 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.650 8.362 -12.665 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.664 7.386 -11.177 1.00 0.00 H new ATOM 901 N LYS A 60 1.201 4.327 -13.121 1.00 0.00 N ATOM 902 CA LYS A 60 2.253 3.459 -13.720 1.00 0.00 C ATOM 903 C LYS A 60 1.725 2.027 -13.836 1.00 0.00 C ATOM 904 O LYS A 60 0.708 1.683 -13.267 1.00 0.00 O ATOM 905 CB LYS A 60 3.495 3.474 -12.829 1.00 0.00 C ATOM 906 CG LYS A 60 4.656 4.124 -13.583 1.00 0.00 C ATOM 907 CD LYS A 60 5.131 3.187 -14.696 1.00 0.00 C ATOM 908 CE LYS A 60 4.437 3.558 -16.008 1.00 0.00 C ATOM 909 NZ LYS A 60 5.456 3.705 -17.085 1.00 0.00 N ATOM 0 H LYS A 60 1.170 4.331 -12.101 1.00 0.00 H new ATOM 0 HA LYS A 60 2.513 3.833 -14.710 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.290 4.024 -11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.760 2.457 -12.539 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.340 5.078 -14.006 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.476 4.336 -12.897 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.212 3.261 -14.811 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.908 2.153 -14.435 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.714 2.789 -16.279 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.882 4.489 -15.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.984 3.957 -17.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.130 4.454 -16.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.966 2.807 -17.205 1.00 0.00 H new ATOM 923 N ASN A 61 2.408 1.190 -14.567 1.00 0.00 N ATOM 924 CA ASN A 61 1.943 -0.217 -14.718 1.00 0.00 C ATOM 925 C ASN A 61 2.819 -1.137 -13.864 1.00 0.00 C ATOM 926 O ASN A 61 3.948 -0.818 -13.549 1.00 0.00 O ATOM 927 CB ASN A 61 2.047 -0.636 -16.185 1.00 0.00 C ATOM 928 CG ASN A 61 0.883 -0.030 -16.972 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.205 -0.571 -16.984 1.00 0.00 O ATOM 930 ND2 ASN A 61 1.066 1.079 -17.635 1.00 0.00 N ATOM 0 H ASN A 61 3.268 1.420 -15.066 1.00 0.00 H new ATOM 0 HA ASN A 61 0.906 -0.293 -14.391 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.996 -0.301 -16.603 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.028 -1.723 -16.266 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.296 1.491 -18.163 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.979 1.534 -17.626 1.00 0.00 H new ATOM 937 N GLU A 62 2.307 -2.277 -13.487 1.00 0.00 N ATOM 938 CA GLU A 62 3.111 -3.214 -12.653 1.00 0.00 C ATOM 939 C GLU A 62 4.315 -3.706 -13.458 1.00 0.00 C ATOM 940 O GLU A 62 4.301 -3.717 -14.672 1.00 0.00 O ATOM 941 CB GLU A 62 2.245 -4.409 -12.249 1.00 0.00 C ATOM 942 CG GLU A 62 1.611 -5.028 -13.495 1.00 0.00 C ATOM 943 CD GLU A 62 2.433 -6.239 -13.939 1.00 0.00 C ATOM 944 OE1 GLU A 62 3.428 -6.039 -14.617 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.055 -7.346 -13.592 1.00 0.00 O ATOM 0 H GLU A 62 1.368 -2.599 -13.720 1.00 0.00 H new ATOM 0 HA GLU A 62 3.458 -2.698 -11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.851 -5.151 -11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.468 -4.090 -11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.585 -5.330 -13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.567 -4.292 -14.297 1.00 0.00 H new ATOM 952 N GLY A 63 5.360 -4.115 -12.790 1.00 0.00 N ATOM 953 CA GLY A 63 6.564 -4.605 -13.518 1.00 0.00 C ATOM 954 C GLY A 63 7.444 -3.418 -13.916 1.00 0.00 C ATOM 955 O GLY A 63 8.460 -3.576 -14.563 1.00 0.00 O ATOM 0 H GLY A 63 5.431 -4.131 -11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.127 -5.293 -12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.263 -5.161 -14.406 1.00 0.00 H new ATOM 959 N ASP A 64 7.062 -2.228 -13.536 1.00 0.00 N ATOM 960 CA ASP A 64 7.879 -1.036 -13.895 1.00 0.00 C ATOM 961 C ASP A 64 8.636 -0.549 -12.656 1.00 0.00 C ATOM 962 O ASP A 64 8.409 -1.004 -11.554 1.00 0.00 O ATOM 963 CB ASP A 64 6.951 0.068 -14.438 1.00 0.00 C ATOM 964 CG ASP A 64 7.509 1.462 -14.130 1.00 0.00 C ATOM 965 OD1 ASP A 64 8.318 1.940 -14.908 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.116 2.027 -13.121 1.00 0.00 O ATOM 0 H ASP A 64 6.221 -2.031 -12.994 1.00 0.00 H new ATOM 0 HA ASP A 64 8.605 -1.294 -14.666 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.833 -0.050 -15.515 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.960 -0.036 -13.996 1.00 0.00 H new ATOM 971 N THR A 65 9.536 0.375 -12.840 1.00 0.00 N ATOM 972 CA THR A 65 10.315 0.900 -11.684 1.00 0.00 C ATOM 973 C THR A 65 9.704 2.223 -11.215 1.00 0.00 C ATOM 974 O THR A 65 9.580 3.164 -11.974 1.00 0.00 O ATOM 975 CB THR A 65 11.767 1.134 -12.111 1.00 0.00 C ATOM 976 OG1 THR A 65 12.334 -0.096 -12.542 1.00 0.00 O ATOM 977 CG2 THR A 65 12.568 1.681 -10.930 1.00 0.00 C ATOM 0 H THR A 65 9.767 0.790 -13.743 1.00 0.00 H new ATOM 0 HA THR A 65 10.287 0.177 -10.869 1.00 0.00 H new ATOM 0 HB THR A 65 11.794 1.855 -12.928 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.263 0.051 -12.818 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.601 1.847 -11.236 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.132 2.624 -10.600 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.543 0.963 -10.110 1.00 0.00 H new ATOM 985 N VAL A 66 9.321 2.302 -9.969 1.00 0.00 N ATOM 986 CA VAL A 66 8.719 3.563 -9.454 1.00 0.00 C ATOM 987 C VAL A 66 9.744 4.303 -8.593 1.00 0.00 C ATOM 988 O VAL A 66 10.897 3.927 -8.521 1.00 0.00 O ATOM 989 CB VAL A 66 7.487 3.232 -8.610 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.578 2.275 -9.384 1.00 0.00 C ATOM 991 CG2 VAL A 66 7.930 2.566 -7.304 1.00 0.00 C ATOM 0 H VAL A 66 9.399 1.548 -9.287 1.00 0.00 H new ATOM 0 HA VAL A 66 8.426 4.195 -10.292 1.00 0.00 H new ATOM 0 HB VAL A 66 6.943 4.150 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.700 2.040 -8.782 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.263 2.746 -10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.122 1.357 -9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.054 2.329 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.474 1.649 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.578 3.245 -6.751 1.00 0.00 H new ATOM 1001 N LEU A 67 9.333 5.354 -7.937 1.00 0.00 N ATOM 1002 CA LEU A 67 10.285 6.117 -7.081 1.00 0.00 C ATOM 1003 C LEU A 67 9.637 6.401 -5.724 1.00 0.00 C ATOM 1004 O LEU A 67 8.486 6.081 -5.496 1.00 0.00 O ATOM 1005 CB LEU A 67 10.637 7.441 -7.764 1.00 0.00 C ATOM 1006 CG LEU A 67 11.177 7.163 -9.168 1.00 0.00 C ATOM 1007 CD1 LEU A 67 10.352 7.941 -10.195 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.639 7.607 -9.248 1.00 0.00 C ATOM 0 H LEU A 67 8.380 5.717 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 67 11.192 5.530 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.755 8.078 -7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.381 7.979 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 67 11.108 6.096 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.736 7.743 -11.196 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.310 7.627 -10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.421 9.008 -9.984 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.025 7.409 -10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.707 8.674 -9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.228 7.054 -8.516 1.00 0.00 H new ATOM 1020 N SER A 68 10.365 7.000 -4.822 1.00 0.00 N ATOM 1021 CA SER A 68 9.789 7.303 -3.481 1.00 0.00 C ATOM 1022 C SER A 68 8.633 8.293 -3.636 1.00 0.00 C ATOM 1023 O SER A 68 8.671 9.182 -4.463 1.00 0.00 O ATOM 1024 CB SER A 68 10.869 7.915 -2.590 1.00 0.00 C ATOM 1025 OG SER A 68 10.253 8.559 -1.482 1.00 0.00 O ATOM 0 H SER A 68 11.333 7.293 -4.955 1.00 0.00 H new ATOM 0 HA SER A 68 9.421 6.383 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.552 7.140 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.463 8.631 -3.158 1.00 0.00 H new ATOM 0 HG SER A 68 10.943 8.952 -0.907 1.00 0.00 H new ATOM 1031 N GLY A 69 7.604 8.147 -2.846 1.00 0.00 N ATOM 1032 CA GLY A 69 6.448 9.081 -2.948 1.00 0.00 C ATOM 1033 C GLY A 69 5.846 8.997 -4.353 1.00 0.00 C ATOM 1034 O GLY A 69 5.238 9.932 -4.834 1.00 0.00 O ATOM 0 H GLY A 69 7.514 7.421 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.695 8.827 -2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.771 10.101 -2.740 1.00 0.00 H new ATOM 1038 N GLU A 70 6.009 7.883 -5.012 1.00 0.00 N ATOM 1039 CA GLU A 70 5.446 7.741 -6.384 1.00 0.00 C ATOM 1040 C GLU A 70 3.968 7.352 -6.291 1.00 0.00 C ATOM 1041 O GLU A 70 3.629 6.255 -5.895 1.00 0.00 O ATOM 1042 CB GLU A 70 6.212 6.653 -7.140 1.00 0.00 C ATOM 1043 CG GLU A 70 5.705 6.579 -8.582 1.00 0.00 C ATOM 1044 CD GLU A 70 6.155 7.824 -9.347 1.00 0.00 C ATOM 1045 OE1 GLU A 70 7.236 8.312 -9.061 1.00 0.00 O ATOM 1046 OE2 GLU A 70 5.412 8.268 -10.206 1.00 0.00 O ATOM 0 H GLU A 70 6.507 7.066 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 70 5.541 8.688 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.280 6.871 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.079 5.690 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.089 5.682 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.617 6.506 -8.593 1.00 0.00 H new ATOM 1053 N LEU A 71 3.087 8.243 -6.653 1.00 0.00 N ATOM 1054 CA LEU A 71 1.634 7.925 -6.585 1.00 0.00 C ATOM 1055 C LEU A 71 1.290 6.879 -7.648 1.00 0.00 C ATOM 1056 O LEU A 71 1.303 7.155 -8.831 1.00 0.00 O ATOM 1057 CB LEU A 71 0.820 9.195 -6.839 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.671 8.886 -6.690 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.391 10.108 -6.118 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.258 8.544 -8.061 1.00 0.00 C ATOM 0 H LEU A 71 3.311 9.178 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 71 1.395 7.532 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.113 9.974 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.025 9.577 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.802 8.040 -6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.453 9.888 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.972 10.353 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.262 10.955 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.320 8.323 -7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.127 9.391 -8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.745 7.673 -8.470 1.00 0.00 H new ATOM 1072 N LEU A 72 0.984 5.679 -7.236 1.00 0.00 N ATOM 1073 CA LEU A 72 0.640 4.618 -8.223 1.00 0.00 C ATOM 1074 C LEU A 72 -0.877 4.562 -8.405 1.00 0.00 C ATOM 1075 O LEU A 72 -1.381 3.928 -9.312 1.00 0.00 O ATOM 1076 CB LEU A 72 1.142 3.265 -7.712 1.00 0.00 C ATOM 1077 CG LEU A 72 2.607 3.389 -7.293 1.00 0.00 C ATOM 1078 CD1 LEU A 72 3.132 2.020 -6.856 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.434 3.895 -8.477 1.00 0.00 C ATOM 0 H LEU A 72 0.958 5.388 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 72 1.112 4.845 -9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.538 2.937 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.038 2.509 -8.490 1.00 0.00 H new ATOM 0 HG LEU A 72 2.688 4.091 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.177 2.109 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.544 1.657 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.050 1.317 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.479 3.984 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.351 3.192 -9.306 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.062 4.870 -8.790 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.611 5.223 -7.553 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.096 5.208 -7.678 1.00 0.00 C ATOM 1093 C GLY A 73 -3.719 5.908 -6.469 1.00 0.00 C ATOM 1094 O GLY A 73 -3.029 6.341 -5.568 1.00 0.00 O ATOM 0 H GLY A 73 -1.247 5.773 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.399 5.709 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.455 4.181 -7.742 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.018 6.020 -6.441 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.683 6.692 -5.289 1.00 0.00 C ATOM 1100 C LYS A 74 -7.049 6.049 -5.043 1.00 0.00 C ATOM 1101 O LYS A 74 -7.848 5.901 -5.946 1.00 0.00 O ATOM 1102 CB LYS A 74 -5.868 8.179 -5.603 1.00 0.00 C ATOM 1103 CG LYS A 74 -4.501 8.825 -5.834 1.00 0.00 C ATOM 1104 CD LYS A 74 -4.557 10.299 -5.426 1.00 0.00 C ATOM 1105 CE LYS A 74 -4.654 10.405 -3.904 1.00 0.00 C ATOM 1106 NZ LYS A 74 -4.987 11.807 -3.524 1.00 0.00 N ATOM 0 H LYS A 74 -5.648 5.676 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.064 6.583 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.493 8.300 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.382 8.674 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.739 8.305 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.218 8.738 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.668 10.819 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.416 10.783 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.418 9.724 -3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.710 10.107 -3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.053 11.880 -2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.243 12.446 -3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.898 12.075 -3.949 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.324 5.666 -3.827 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.639 5.034 -3.524 1.00 0.00 C ATOM 1122 C LEU A 75 -9.606 6.094 -2.994 1.00 0.00 C ATOM 1123 O LEU A 75 -9.209 7.037 -2.338 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.449 3.943 -2.468 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.729 3.113 -2.354 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.391 1.629 -2.504 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.372 3.353 -0.987 1.00 0.00 C ATOM 0 H LEU A 75 -6.695 5.763 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.048 4.593 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.610 3.302 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.208 4.393 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.424 3.408 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.303 1.038 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.933 1.457 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.696 1.333 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.284 2.762 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.677 3.058 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.614 4.410 -0.879 1.00 0.00 H new ATOM 1139 N THR A 76 -10.872 5.948 -3.272 1.00 0.00 N ATOM 1140 CA THR A 76 -11.862 6.948 -2.783 1.00 0.00 C ATOM 1141 C THR A 76 -12.413 6.501 -1.428 1.00 0.00 C ATOM 1142 O THR A 76 -12.187 5.389 -0.991 1.00 0.00 O ATOM 1143 CB THR A 76 -13.011 7.063 -3.788 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.481 7.109 -5.106 1.00 0.00 O ATOM 1145 CG2 THR A 76 -13.808 8.338 -3.512 1.00 0.00 C ATOM 0 H THR A 76 -11.264 5.180 -3.817 1.00 0.00 H new ATOM 0 HA THR A 76 -11.375 7.917 -2.675 1.00 0.00 H new ATOM 0 HB THR A 76 -13.668 6.199 -3.689 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.342 6.196 -5.435 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.626 8.418 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.214 8.302 -2.501 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.154 9.204 -3.610 1.00 0.00 H new