USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -115:sc= -0.016 (180deg=-0.283) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= -0.0546 (180deg=-0.748) USER MOD Single : A 91 GLN : amide:sc= -1.98 K(o=-2,f=-3.9!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -63:sc= 0.117 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 100 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0149) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 152:sc= -0.428 (180deg=-1.88!) USER MOD Single : A 111 THR OG1 : rot 0:sc= 0.0873 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 ASN : amide:sc= -3.73 K(o=-3.7,f=-19!) USER MOD Single : A 139 TYR OH : rot 165:sc= -0.386 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 176.267 15.408 -10.009 1.00 0.00 N ATOM 2 CA LYS A 80 176.353 16.211 -8.754 1.00 0.00 C ATOM 3 C LYS A 80 175.207 15.836 -7.809 1.00 0.00 C ATOM 4 O LYS A 80 174.168 16.466 -7.784 1.00 0.00 O ATOM 5 CB LYS A 80 176.222 17.665 -9.205 1.00 0.00 C ATOM 6 CG LYS A 80 176.698 18.592 -8.085 1.00 0.00 C ATOM 7 CD LYS A 80 176.363 20.041 -8.443 1.00 0.00 C ATOM 8 CE LYS A 80 177.228 20.988 -7.607 1.00 0.00 C ATOM 9 NZ LYS A 80 176.375 22.187 -7.377 1.00 0.00 N ATOM 0 HA LYS A 80 177.283 16.035 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 80 176.813 17.832 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 80 175.185 17.886 -9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 80 176.219 18.319 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.773 18.482 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.538 20.214 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 80 175.307 20.237 -8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.522 20.526 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 80 178.146 21.252 -8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 176.900 22.883 -6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 176.117 22.610 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 175.512 21.907 -6.869 1.00 0.00 H new ATOM 23 N ALA A 81 175.407 14.801 -7.037 1.00 0.00 N ATOM 24 CA ALA A 81 174.362 14.337 -6.078 1.00 0.00 C ATOM 25 C ALA A 81 174.835 14.546 -4.636 1.00 0.00 C ATOM 26 O ALA A 81 176.014 14.711 -4.386 1.00 0.00 O ATOM 27 CB ALA A 81 174.218 12.842 -6.368 1.00 0.00 C ATOM 0 H ALA A 81 176.264 14.249 -7.031 1.00 0.00 H new ATOM 0 HA ALA A 81 173.424 14.880 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.466 12.414 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 81 173.912 12.700 -7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.174 12.345 -6.201 1.00 0.00 H new ATOM 33 N LYS A 82 173.929 14.552 -3.690 1.00 0.00 N ATOM 34 CA LYS A 82 174.333 14.765 -2.269 1.00 0.00 C ATOM 35 C LYS A 82 174.092 13.504 -1.435 1.00 0.00 C ATOM 36 O LYS A 82 173.385 12.599 -1.833 1.00 0.00 O ATOM 37 CB LYS A 82 173.473 15.933 -1.761 1.00 0.00 C ATOM 38 CG LYS A 82 171.988 15.644 -2.000 1.00 0.00 C ATOM 39 CD LYS A 82 171.140 16.629 -1.193 1.00 0.00 C ATOM 40 CE LYS A 82 169.667 16.464 -1.574 1.00 0.00 C ATOM 41 NZ LYS A 82 169.519 17.194 -2.863 1.00 0.00 N ATOM 0 H LYS A 82 172.929 14.419 -3.841 1.00 0.00 H new ATOM 0 HA LYS A 82 175.397 14.987 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 82 173.653 16.090 -0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.758 16.853 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 82 171.756 15.732 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 82 171.754 14.621 -1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 82 171.273 16.451 -0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 82 171.465 17.651 -1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 82 169.403 15.412 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 82 169.012 16.879 -0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 168.885 18.007 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 170.451 17.530 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 169.118 16.556 -3.579 1.00 0.00 H new ATOM 55 N THR A 83 174.710 13.449 -0.282 1.00 0.00 N ATOM 56 CA THR A 83 174.569 12.251 0.608 1.00 0.00 C ATOM 57 C THR A 83 173.086 11.916 0.815 1.00 0.00 C ATOM 58 O THR A 83 172.712 10.774 0.987 1.00 0.00 O ATOM 59 CB THR A 83 175.229 12.647 1.930 1.00 0.00 C ATOM 60 OG1 THR A 83 176.428 13.362 1.663 1.00 0.00 O ATOM 61 CG2 THR A 83 175.553 11.390 2.740 1.00 0.00 C ATOM 0 H THR A 83 175.311 14.187 0.085 1.00 0.00 H new ATOM 0 HA THR A 83 175.035 11.364 0.180 1.00 0.00 H new ATOM 0 HB THR A 83 174.548 13.278 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.851 13.618 2.509 1.00 0.00 H new ATOM 0 HG21 THR A 83 176.023 11.675 3.681 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.633 10.842 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.234 10.756 2.172 1.00 0.00 H new ATOM 69 N GLU A 84 172.246 12.918 0.799 1.00 0.00 N ATOM 70 CA GLU A 84 170.775 12.696 0.993 1.00 0.00 C ATOM 71 C GLU A 84 170.239 11.651 0.006 1.00 0.00 C ATOM 72 O GLU A 84 169.405 10.834 0.349 1.00 0.00 O ATOM 73 CB GLU A 84 170.136 14.055 0.707 1.00 0.00 C ATOM 74 CG GLU A 84 170.529 15.049 1.803 1.00 0.00 C ATOM 75 CD GLU A 84 169.922 14.609 3.136 1.00 0.00 C ATOM 76 OE1 GLU A 84 168.708 14.519 3.210 1.00 0.00 O ATOM 77 OE2 GLU A 84 170.682 14.369 4.060 1.00 0.00 O ATOM 0 H GLU A 84 172.516 13.892 0.659 1.00 0.00 H new ATOM 0 HA GLU A 84 170.553 12.325 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.462 14.424 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.051 13.956 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 84 171.614 15.103 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 84 170.179 16.048 1.544 1.00 0.00 H new ATOM 84 N ASP A 85 170.717 11.673 -1.211 1.00 0.00 N ATOM 85 CA ASP A 85 170.241 10.680 -2.222 1.00 0.00 C ATOM 86 C ASP A 85 170.670 9.273 -1.800 1.00 0.00 C ATOM 87 O ASP A 85 169.899 8.333 -1.853 1.00 0.00 O ATOM 88 CB ASP A 85 170.923 11.079 -3.533 1.00 0.00 C ATOM 89 CG ASP A 85 170.352 10.251 -4.687 1.00 0.00 C ATOM 90 OD1 ASP A 85 169.970 9.116 -4.448 1.00 0.00 O ATOM 91 OD2 ASP A 85 170.304 10.766 -5.792 1.00 0.00 O ATOM 0 H ASP A 85 171.416 12.335 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 85 169.156 10.674 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 85 170.770 12.141 -3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 85 171.999 10.921 -3.457 1.00 0.00 H new ATOM 96 N PHE A 86 171.899 9.132 -1.386 1.00 0.00 N ATOM 97 CA PHE A 86 172.412 7.796 -0.956 1.00 0.00 C ATOM 98 C PHE A 86 171.860 7.404 0.421 1.00 0.00 C ATOM 99 O PHE A 86 171.599 6.242 0.674 1.00 0.00 O ATOM 100 CB PHE A 86 173.943 7.949 -0.900 1.00 0.00 C ATOM 101 CG PHE A 86 174.600 7.122 -1.994 1.00 0.00 C ATOM 102 CD1 PHE A 86 174.062 7.091 -3.291 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.753 6.381 -1.704 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.677 6.323 -4.287 1.00 0.00 C ATOM 105 CE2 PHE A 86 176.366 5.614 -2.701 1.00 0.00 C ATOM 106 CZ PHE A 86 175.828 5.585 -3.993 1.00 0.00 C ATOM 0 H PHE A 86 172.578 9.891 -1.326 1.00 0.00 H new ATOM 0 HA PHE A 86 172.102 7.010 -1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.214 8.998 -1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.311 7.631 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.173 7.660 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 86 176.170 6.402 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.262 6.300 -5.284 1.00 0.00 H new ATOM 0 HE2 PHE A 86 177.255 5.044 -2.474 1.00 0.00 H new ATOM 0 HZ PHE A 86 176.301 4.993 -4.762 1.00 0.00 H new ATOM 116 N VAL A 87 171.703 8.346 1.320 1.00 0.00 N ATOM 117 CA VAL A 87 171.197 7.997 2.687 1.00 0.00 C ATOM 118 C VAL A 87 169.712 7.610 2.632 1.00 0.00 C ATOM 119 O VAL A 87 169.284 6.667 3.269 1.00 0.00 O ATOM 120 CB VAL A 87 171.397 9.268 3.525 1.00 0.00 C ATOM 121 CG1 VAL A 87 170.888 9.039 4.951 1.00 0.00 C ATOM 122 CG2 VAL A 87 172.888 9.618 3.572 1.00 0.00 C ATOM 0 H VAL A 87 171.902 9.335 1.169 1.00 0.00 H new ATOM 0 HA VAL A 87 171.724 7.143 3.112 1.00 0.00 H new ATOM 0 HB VAL A 87 170.839 10.087 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 87 171.033 9.945 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 87 169.827 8.791 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.441 8.218 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 87 173.031 10.520 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.441 8.794 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.254 9.789 2.560 1.00 0.00 H new ATOM 132 N LYS A 88 168.924 8.347 1.892 1.00 0.00 N ATOM 133 CA LYS A 88 167.457 8.051 1.807 1.00 0.00 C ATOM 134 C LYS A 88 167.201 6.634 1.289 1.00 0.00 C ATOM 135 O LYS A 88 166.259 5.977 1.689 1.00 0.00 O ATOM 136 CB LYS A 88 166.903 9.075 0.815 1.00 0.00 C ATOM 137 CG LYS A 88 166.901 10.463 1.459 1.00 0.00 C ATOM 138 CD LYS A 88 165.756 10.560 2.468 1.00 0.00 C ATOM 139 CE LYS A 88 165.822 11.909 3.189 1.00 0.00 C ATOM 140 NZ LYS A 88 165.518 12.922 2.140 1.00 0.00 N ATOM 0 H LYS A 88 169.233 9.146 1.339 1.00 0.00 H new ATOM 0 HA LYS A 88 166.984 8.113 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.509 9.084 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 88 165.891 8.799 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 88 167.854 10.645 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 88 166.790 11.230 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 88 164.798 10.455 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 88 165.824 9.746 3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 88 165.100 11.956 4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 88 166.807 12.076 3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 165.164 13.791 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 166.383 13.137 1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 164.795 12.546 1.494 1.00 0.00 H new ATOM 154 N ALA A 89 168.018 6.176 0.383 1.00 0.00 N ATOM 155 CA ALA A 89 167.822 4.811 -0.199 1.00 0.00 C ATOM 156 C ALA A 89 168.005 3.709 0.849 1.00 0.00 C ATOM 157 O ALA A 89 167.180 2.821 0.957 1.00 0.00 O ATOM 158 CB ALA A 89 168.884 4.680 -1.289 1.00 0.00 C ATOM 0 H ALA A 89 168.820 6.689 0.016 1.00 0.00 H new ATOM 0 HA ALA A 89 166.809 4.697 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 89 168.801 3.701 -1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 89 168.735 5.458 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 89 169.874 4.787 -0.847 1.00 0.00 H new ATOM 164 N PHE A 90 169.077 3.731 1.604 1.00 0.00 N ATOM 165 CA PHE A 90 169.297 2.656 2.623 1.00 0.00 C ATOM 166 C PHE A 90 168.463 2.896 3.890 1.00 0.00 C ATOM 167 O PHE A 90 167.712 2.044 4.323 1.00 0.00 O ATOM 168 CB PHE A 90 170.792 2.719 2.949 1.00 0.00 C ATOM 169 CG PHE A 90 171.589 2.254 1.754 1.00 0.00 C ATOM 170 CD1 PHE A 90 171.568 0.904 1.384 1.00 0.00 C ATOM 171 CD2 PHE A 90 172.348 3.171 1.014 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.306 0.469 0.277 1.00 0.00 C ATOM 173 CE2 PHE A 90 173.085 2.736 -0.094 1.00 0.00 C ATOM 174 CZ PHE A 90 173.064 1.385 -0.462 1.00 0.00 C ATOM 0 H PHE A 90 169.806 4.443 1.559 1.00 0.00 H new ATOM 0 HA PHE A 90 168.992 1.681 2.242 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.075 3.738 3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 90 171.013 2.092 3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 90 170.982 0.198 1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 90 172.364 4.213 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 90 172.291 -0.573 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.670 3.442 -0.665 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.633 1.050 -1.316 1.00 0.00 H new ATOM 184 N GLN A 91 168.647 4.029 4.520 1.00 0.00 N ATOM 185 CA GLN A 91 167.935 4.326 5.807 1.00 0.00 C ATOM 186 C GLN A 91 166.430 4.050 5.731 1.00 0.00 C ATOM 187 O GLN A 91 165.840 3.595 6.693 1.00 0.00 O ATOM 188 CB GLN A 91 168.176 5.815 6.061 1.00 0.00 C ATOM 189 CG GLN A 91 169.577 6.014 6.643 1.00 0.00 C ATOM 190 CD GLN A 91 169.655 7.381 7.326 1.00 0.00 C ATOM 191 OE1 GLN A 91 168.974 8.309 6.935 1.00 0.00 O ATOM 192 NE2 GLN A 91 170.461 7.546 8.340 1.00 0.00 N ATOM 0 H GLN A 91 169.267 4.771 4.196 1.00 0.00 H new ATOM 0 HA GLN A 91 168.312 3.686 6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 91 168.074 6.374 5.131 1.00 0.00 H new ATOM 0 HB3 GLN A 91 167.426 6.203 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 91 169.800 5.224 7.360 1.00 0.00 H new ATOM 0 HG3 GLN A 91 170.324 5.947 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 91 171.033 6.768 8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 91 170.519 8.453 8.803 1.00 0.00 H new ATOM 201 N VAL A 92 165.798 4.326 4.616 1.00 0.00 N ATOM 202 CA VAL A 92 164.322 4.080 4.524 1.00 0.00 C ATOM 203 C VAL A 92 164.017 2.600 4.809 1.00 0.00 C ATOM 204 O VAL A 92 163.045 2.274 5.462 1.00 0.00 O ATOM 205 CB VAL A 92 163.926 4.476 3.096 1.00 0.00 C ATOM 206 CG1 VAL A 92 164.687 3.614 2.087 1.00 0.00 C ATOM 207 CG2 VAL A 92 162.424 4.267 2.909 1.00 0.00 C ATOM 0 H VAL A 92 166.232 4.706 3.775 1.00 0.00 H new ATOM 0 HA VAL A 92 163.757 4.658 5.256 1.00 0.00 H new ATOM 0 HB VAL A 92 164.175 5.525 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 92 164.401 3.900 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 92 165.759 3.763 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 92 164.444 2.564 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 92 162.141 4.548 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 92 162.179 3.218 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 92 161.879 4.885 3.622 1.00 0.00 H new ATOM 217 N PHE A 93 164.864 1.711 4.349 1.00 0.00 N ATOM 218 CA PHE A 93 164.648 0.258 4.622 1.00 0.00 C ATOM 219 C PHE A 93 164.803 0.019 6.126 1.00 0.00 C ATOM 220 O PHE A 93 164.046 -0.729 6.714 1.00 0.00 O ATOM 221 CB PHE A 93 165.742 -0.473 3.841 1.00 0.00 C ATOM 222 CG PHE A 93 165.533 -1.964 3.955 1.00 0.00 C ATOM 223 CD1 PHE A 93 166.130 -2.677 5.001 1.00 0.00 C ATOM 224 CD2 PHE A 93 164.740 -2.633 3.014 1.00 0.00 C ATOM 225 CE1 PHE A 93 165.935 -4.059 5.106 1.00 0.00 C ATOM 226 CE2 PHE A 93 164.546 -4.015 3.119 1.00 0.00 C ATOM 227 CZ PHE A 93 165.144 -4.729 4.165 1.00 0.00 C ATOM 0 H PHE A 93 165.694 1.930 3.797 1.00 0.00 H new ATOM 0 HA PHE A 93 163.659 -0.090 4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 93 165.719 -0.171 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 93 166.724 -0.202 4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 93 166.741 -2.161 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 93 164.278 -2.082 2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 93 166.395 -4.609 5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 93 163.935 -4.531 2.393 1.00 0.00 H new ATOM 0 HZ PHE A 93 164.995 -5.796 4.246 1.00 0.00 H new ATOM 237 N ASP A 94 165.782 0.628 6.747 1.00 0.00 N ATOM 238 CA ASP A 94 165.997 0.421 8.218 1.00 0.00 C ATOM 239 C ASP A 94 164.784 0.899 9.025 1.00 0.00 C ATOM 240 O ASP A 94 164.771 1.996 9.553 1.00 0.00 O ATOM 241 CB ASP A 94 167.229 1.259 8.568 1.00 0.00 C ATOM 242 CG ASP A 94 168.481 0.380 8.501 1.00 0.00 C ATOM 243 OD1 ASP A 94 168.517 -0.505 7.663 1.00 0.00 O ATOM 244 OD2 ASP A 94 169.382 0.609 9.291 1.00 0.00 O ATOM 0 H ASP A 94 166.445 1.262 6.300 1.00 0.00 H new ATOM 0 HA ASP A 94 166.134 -0.634 8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.322 2.095 7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 94 167.122 1.682 9.567 1.00 0.00 H new ATOM 249 N LYS A 95 163.767 0.081 9.120 1.00 0.00 N ATOM 250 CA LYS A 95 162.547 0.472 9.888 1.00 0.00 C ATOM 251 C LYS A 95 162.874 0.614 11.377 1.00 0.00 C ATOM 252 O LYS A 95 162.207 1.332 12.097 1.00 0.00 O ATOM 253 CB LYS A 95 161.550 -0.669 9.669 1.00 0.00 C ATOM 254 CG LYS A 95 161.105 -0.688 8.206 1.00 0.00 C ATOM 255 CD LYS A 95 160.166 0.490 7.941 1.00 0.00 C ATOM 256 CE LYS A 95 159.617 0.396 6.516 1.00 0.00 C ATOM 257 NZ LYS A 95 159.043 1.741 6.236 1.00 0.00 N ATOM 0 H LYS A 95 163.729 -0.846 8.696 1.00 0.00 H new ATOM 0 HA LYS A 95 162.149 1.431 9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 95 162.009 -1.622 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 95 160.686 -0.540 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 95 161.974 -0.629 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 95 160.599 -1.627 7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 95 159.346 0.483 8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 95 160.699 1.431 8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 95 160.405 0.147 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 95 158.858 -0.382 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 158.646 1.756 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 158.291 1.948 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 159.790 2.460 6.313 1.00 0.00 H new ATOM 271 N GLU A 96 163.897 -0.060 11.844 1.00 0.00 N ATOM 272 CA GLU A 96 164.267 0.042 13.289 1.00 0.00 C ATOM 273 C GLU A 96 165.537 0.889 13.465 1.00 0.00 C ATOM 274 O GLU A 96 166.144 0.885 14.517 1.00 0.00 O ATOM 275 CB GLU A 96 164.514 -1.398 13.743 1.00 0.00 C ATOM 276 CG GLU A 96 163.240 -2.224 13.552 1.00 0.00 C ATOM 277 CD GLU A 96 163.389 -3.567 14.269 1.00 0.00 C ATOM 278 OE1 GLU A 96 163.411 -3.566 15.489 1.00 0.00 O ATOM 279 OE2 GLU A 96 163.479 -4.574 13.587 1.00 0.00 O ATOM 0 H GLU A 96 164.490 -0.675 11.287 1.00 0.00 H new ATOM 0 HA GLU A 96 163.485 0.526 13.875 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.332 -1.835 13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 96 164.815 -1.413 14.790 1.00 0.00 H new ATOM 0 HG2 GLU A 96 162.380 -1.682 13.947 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.055 -2.385 12.490 1.00 0.00 H new ATOM 286 N SER A 97 165.919 1.637 12.452 1.00 0.00 N ATOM 287 CA SER A 97 167.125 2.532 12.522 1.00 0.00 C ATOM 288 C SER A 97 168.307 1.926 13.300 1.00 0.00 C ATOM 289 O SER A 97 168.724 2.460 14.313 1.00 0.00 O ATOM 290 CB SER A 97 166.628 3.807 13.201 1.00 0.00 C ATOM 291 OG SER A 97 167.634 4.807 13.112 1.00 0.00 O ATOM 0 H SER A 97 165.432 1.665 11.556 1.00 0.00 H new ATOM 0 HA SER A 97 167.523 2.703 11.522 1.00 0.00 H new ATOM 0 HB2 SER A 97 165.711 4.153 12.724 1.00 0.00 H new ATOM 0 HB3 SER A 97 166.388 3.607 14.245 1.00 0.00 H new ATOM 0 HG SER A 97 168.433 4.512 13.597 1.00 0.00 H new ATOM 297 N THR A 98 168.860 0.833 12.831 1.00 0.00 N ATOM 298 CA THR A 98 170.024 0.225 13.548 1.00 0.00 C ATOM 299 C THR A 98 171.328 0.785 12.972 1.00 0.00 C ATOM 300 O THR A 98 172.301 0.970 13.679 1.00 0.00 O ATOM 301 CB THR A 98 169.916 -1.278 13.288 1.00 0.00 C ATOM 302 OG1 THR A 98 169.781 -1.507 11.892 1.00 0.00 O ATOM 303 CG2 THR A 98 168.696 -1.839 14.021 1.00 0.00 C ATOM 0 H THR A 98 168.559 0.340 11.991 1.00 0.00 H new ATOM 0 HA THR A 98 170.021 0.445 14.616 1.00 0.00 H new ATOM 0 HB THR A 98 170.815 -1.776 13.652 1.00 0.00 H new ATOM 0 HG1 THR A 98 169.713 -2.470 11.724 1.00 0.00 H new ATOM 0 HG21 THR A 98 168.620 -2.910 13.835 1.00 0.00 H new ATOM 0 HG22 THR A 98 168.802 -1.663 15.092 1.00 0.00 H new ATOM 0 HG23 THR A 98 167.795 -1.343 13.660 1.00 0.00 H new ATOM 311 N GLY A 99 171.344 1.067 11.694 1.00 0.00 N ATOM 312 CA GLY A 99 172.573 1.631 11.059 1.00 0.00 C ATOM 313 C GLY A 99 173.440 0.514 10.456 1.00 0.00 C ATOM 314 O GLY A 99 174.570 0.749 10.071 1.00 0.00 O ATOM 0 H GLY A 99 170.556 0.930 11.061 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.292 2.340 10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.149 2.184 11.801 1.00 0.00 H new ATOM 318 N LYS A 100 172.930 -0.693 10.368 1.00 0.00 N ATOM 319 CA LYS A 100 173.736 -1.810 9.789 1.00 0.00 C ATOM 320 C LYS A 100 172.903 -2.581 8.760 1.00 0.00 C ATOM 321 O LYS A 100 171.689 -2.600 8.833 1.00 0.00 O ATOM 322 CB LYS A 100 174.070 -2.708 10.978 1.00 0.00 C ATOM 323 CG LYS A 100 175.205 -2.079 11.787 1.00 0.00 C ATOM 324 CD LYS A 100 175.818 -3.133 12.710 1.00 0.00 C ATOM 325 CE LYS A 100 177.167 -2.635 13.230 1.00 0.00 C ATOM 326 NZ LYS A 100 176.830 -1.668 14.311 1.00 0.00 N ATOM 0 H LYS A 100 171.991 -0.950 10.673 1.00 0.00 H new ATOM 0 HA LYS A 100 174.630 -1.454 9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.190 -2.839 11.607 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.363 -3.698 10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 100 175.966 -1.680 11.116 1.00 0.00 H new ATOM 0 HG3 LYS A 100 174.827 -1.242 12.374 1.00 0.00 H new ATOM 0 HD2 LYS A 100 175.147 -3.335 13.545 1.00 0.00 H new ATOM 0 HD3 LYS A 100 175.948 -4.072 12.171 1.00 0.00 H new ATOM 0 HE2 LYS A 100 177.771 -3.458 13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 100 177.743 -2.157 12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 177.353 -0.782 14.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 175.808 -1.474 14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 177.093 -2.072 15.233 1.00 0.00 H new ATOM 340 N VAL A 101 173.539 -3.226 7.812 1.00 0.00 N ATOM 341 CA VAL A 101 172.768 -4.005 6.792 1.00 0.00 C ATOM 342 C VAL A 101 173.599 -5.193 6.293 1.00 0.00 C ATOM 343 O VAL A 101 174.808 -5.215 6.422 1.00 0.00 O ATOM 344 CB VAL A 101 172.472 -3.027 5.648 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.588 -1.890 6.162 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.783 -2.447 5.109 1.00 0.00 C ATOM 0 H VAL A 101 174.553 -3.247 7.700 1.00 0.00 H new ATOM 0 HA VAL A 101 171.847 -4.413 7.208 1.00 0.00 H new ATOM 0 HB VAL A 101 171.956 -3.558 4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.378 -1.196 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.651 -2.300 6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.103 -1.363 6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.567 -1.753 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.303 -1.919 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.413 -3.255 4.738 1.00 0.00 H new ATOM 356 N SER A 102 172.952 -6.173 5.715 1.00 0.00 N ATOM 357 CA SER A 102 173.685 -7.364 5.190 1.00 0.00 C ATOM 358 C SER A 102 174.254 -7.058 3.804 1.00 0.00 C ATOM 359 O SER A 102 173.660 -6.330 3.031 1.00 0.00 O ATOM 360 CB SER A 102 172.626 -8.464 5.092 1.00 0.00 C ATOM 361 OG SER A 102 171.445 -7.929 4.510 1.00 0.00 O ATOM 0 H SER A 102 171.941 -6.199 5.584 1.00 0.00 H new ATOM 0 HA SER A 102 174.521 -7.651 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 102 173.000 -9.292 4.489 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.408 -8.864 6.082 1.00 0.00 H new ATOM 0 HG SER A 102 170.765 -8.632 4.444 1.00 0.00 H new ATOM 367 N VAL A 103 175.400 -7.605 3.484 1.00 0.00 N ATOM 368 CA VAL A 103 176.016 -7.342 2.143 1.00 0.00 C ATOM 369 C VAL A 103 175.045 -7.728 1.016 1.00 0.00 C ATOM 370 O VAL A 103 174.950 -7.044 0.014 1.00 0.00 O ATOM 371 CB VAL A 103 177.280 -8.215 2.104 1.00 0.00 C ATOM 372 CG1 VAL A 103 176.900 -9.693 2.242 1.00 0.00 C ATOM 373 CG2 VAL A 103 178.017 -7.998 0.776 1.00 0.00 C ATOM 0 H VAL A 103 175.937 -8.223 4.092 1.00 0.00 H new ATOM 0 HA VAL A 103 176.250 -6.287 1.999 1.00 0.00 H new ATOM 0 HB VAL A 103 177.931 -7.934 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.802 -10.305 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.385 -9.849 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.242 -9.978 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.913 -8.618 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.363 -8.272 -0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.299 -6.949 0.684 1.00 0.00 H new ATOM 383 N GLY A 104 174.333 -8.819 1.167 1.00 0.00 N ATOM 384 CA GLY A 104 173.378 -9.250 0.102 1.00 0.00 C ATOM 385 C GLY A 104 172.323 -8.166 -0.130 1.00 0.00 C ATOM 386 O GLY A 104 171.951 -7.881 -1.252 1.00 0.00 O ATOM 0 H GLY A 104 174.373 -9.429 1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.919 -9.446 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.894 -10.183 0.392 1.00 0.00 H new ATOM 390 N ASP A 105 171.841 -7.560 0.926 1.00 0.00 N ATOM 391 CA ASP A 105 170.809 -6.488 0.780 1.00 0.00 C ATOM 392 C ASP A 105 171.467 -5.165 0.390 1.00 0.00 C ATOM 393 O ASP A 105 170.953 -4.422 -0.425 1.00 0.00 O ATOM 394 CB ASP A 105 170.151 -6.378 2.156 1.00 0.00 C ATOM 395 CG ASP A 105 168.843 -5.593 2.035 1.00 0.00 C ATOM 396 OD1 ASP A 105 167.829 -6.211 1.756 1.00 0.00 O ATOM 397 OD2 ASP A 105 168.878 -4.388 2.220 1.00 0.00 O ATOM 0 H ASP A 105 172.119 -7.762 1.886 1.00 0.00 H new ATOM 0 HA ASP A 105 170.084 -6.720 0.000 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.955 -7.372 2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.824 -5.879 2.854 1.00 0.00 H new ATOM 402 N LEU A 106 172.601 -4.864 0.974 1.00 0.00 N ATOM 403 CA LEU A 106 173.301 -3.583 0.648 1.00 0.00 C ATOM 404 C LEU A 106 173.643 -3.540 -0.844 1.00 0.00 C ATOM 405 O LEU A 106 173.369 -2.568 -1.522 1.00 0.00 O ATOM 406 CB LEU A 106 174.580 -3.599 1.493 1.00 0.00 C ATOM 407 CG LEU A 106 175.372 -2.309 1.262 1.00 0.00 C ATOM 408 CD1 LEU A 106 174.786 -1.189 2.124 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.836 -2.534 1.646 1.00 0.00 C ATOM 0 H LEU A 106 173.072 -5.451 1.663 1.00 0.00 H new ATOM 0 HA LEU A 106 172.686 -2.709 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.328 -3.697 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.190 -4.463 1.229 1.00 0.00 H new ATOM 0 HG LEU A 106 175.310 -2.029 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 106 175.350 -0.271 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 106 173.743 -1.028 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 106 174.847 -1.469 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 106 177.400 -1.616 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.897 -2.815 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 106 177.255 -3.332 1.033 1.00 0.00 H new ATOM 421 N ARG A 107 174.247 -4.583 -1.356 1.00 0.00 N ATOM 422 CA ARG A 107 174.615 -4.597 -2.805 1.00 0.00 C ATOM 423 C ARG A 107 173.358 -4.546 -3.674 1.00 0.00 C ATOM 424 O ARG A 107 173.370 -3.999 -4.761 1.00 0.00 O ATOM 425 CB ARG A 107 175.380 -5.906 -3.024 1.00 0.00 C ATOM 426 CG ARG A 107 176.211 -5.810 -4.306 1.00 0.00 C ATOM 427 CD ARG A 107 176.660 -7.211 -4.730 1.00 0.00 C ATOM 428 NE ARG A 107 175.570 -7.721 -5.610 1.00 0.00 N ATOM 429 CZ ARG A 107 175.491 -8.996 -5.879 1.00 0.00 C ATOM 430 NH1 ARG A 107 176.571 -9.672 -6.161 1.00 0.00 N ATOM 431 NH2 ARG A 107 174.332 -9.594 -5.866 1.00 0.00 N ATOM 0 H ARG A 107 174.500 -5.423 -0.835 1.00 0.00 H new ATOM 0 HA ARG A 107 175.220 -3.733 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 107 176.030 -6.105 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.681 -6.740 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.623 -5.349 -5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.080 -5.172 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 107 177.611 -7.176 -5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 107 176.802 -7.858 -3.864 1.00 0.00 H new ATOM 0 HE ARG A 107 174.886 -7.074 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 107 177.477 -9.204 -6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 107 176.509 -10.668 -6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 107 173.488 -9.065 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 107 174.270 -10.590 -6.076 1.00 0.00 H new ATOM 445 N TYR A 108 172.277 -5.125 -3.208 1.00 0.00 N ATOM 446 CA TYR A 108 171.023 -5.119 -4.020 1.00 0.00 C ATOM 447 C TYR A 108 170.469 -3.696 -4.126 1.00 0.00 C ATOM 448 O TYR A 108 170.100 -3.250 -5.195 1.00 0.00 O ATOM 449 CB TYR A 108 170.046 -6.038 -3.284 1.00 0.00 C ATOM 450 CG TYR A 108 168.927 -6.433 -4.219 1.00 0.00 C ATOM 451 CD1 TYR A 108 167.846 -5.567 -4.422 1.00 0.00 C ATOM 452 CD2 TYR A 108 168.970 -7.666 -4.879 1.00 0.00 C ATOM 453 CE1 TYR A 108 166.810 -5.933 -5.289 1.00 0.00 C ATOM 454 CE2 TYR A 108 167.933 -8.033 -5.745 1.00 0.00 C ATOM 455 CZ TYR A 108 166.853 -7.166 -5.950 1.00 0.00 C ATOM 456 OH TYR A 108 165.830 -7.527 -6.804 1.00 0.00 O ATOM 0 H TYR A 108 172.210 -5.598 -2.307 1.00 0.00 H new ATOM 0 HA TYR A 108 171.195 -5.466 -5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.566 -6.926 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.641 -5.530 -2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 108 167.811 -4.617 -3.910 1.00 0.00 H new ATOM 0 HD2 TYR A 108 169.803 -8.335 -4.720 1.00 0.00 H new ATOM 0 HE1 TYR A 108 165.977 -5.264 -5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 108 167.966 -8.985 -6.255 1.00 0.00 H new ATOM 0 HH TYR A 108 166.016 -8.412 -7.181 1.00 0.00 H new ATOM 466 N MET A 109 170.384 -2.990 -3.025 1.00 0.00 N ATOM 467 CA MET A 109 169.831 -1.605 -3.076 1.00 0.00 C ATOM 468 C MET A 109 170.828 -0.648 -3.709 1.00 0.00 C ATOM 469 O MET A 109 170.445 0.321 -4.338 1.00 0.00 O ATOM 470 CB MET A 109 169.595 -1.217 -1.626 1.00 0.00 C ATOM 471 CG MET A 109 168.163 -1.586 -1.224 1.00 0.00 C ATOM 472 SD MET A 109 167.238 -0.091 -0.766 1.00 0.00 S ATOM 473 CE MET A 109 167.552 0.858 -2.283 1.00 0.00 C ATOM 0 H MET A 109 170.672 -3.312 -2.101 1.00 0.00 H new ATOM 0 HA MET A 109 168.921 -1.560 -3.674 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.309 -1.729 -0.981 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.757 -0.147 -1.494 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.664 -2.093 -2.050 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.180 -2.283 -0.386 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.730 1.553 -2.454 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.482 1.416 -2.177 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.633 0.175 -3.129 1.00 0.00 H new ATOM 483 N LEU A 110 172.104 -0.900 -3.557 1.00 0.00 N ATOM 484 CA LEU A 110 173.119 0.014 -4.161 1.00 0.00 C ATOM 485 C LEU A 110 172.920 0.050 -5.674 1.00 0.00 C ATOM 486 O LEU A 110 172.968 1.097 -6.289 1.00 0.00 O ATOM 487 CB LEU A 110 174.479 -0.596 -3.805 1.00 0.00 C ATOM 488 CG LEU A 110 175.601 0.328 -4.281 1.00 0.00 C ATOM 489 CD1 LEU A 110 175.698 1.541 -3.354 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.928 -0.435 -4.262 1.00 0.00 C ATOM 0 H LEU A 110 172.485 -1.695 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 110 173.039 1.037 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.550 -0.745 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.581 -1.577 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 110 175.387 0.666 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 110 176.498 2.197 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 110 174.753 2.084 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 110 175.912 1.207 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.730 0.221 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 110 177.139 -0.772 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 110 176.861 -1.298 -4.924 1.00 0.00 H new ATOM 502 N THR A 111 172.674 -1.089 -6.269 1.00 0.00 N ATOM 503 CA THR A 111 172.452 -1.128 -7.748 1.00 0.00 C ATOM 504 C THR A 111 171.134 -0.426 -8.113 1.00 0.00 C ATOM 505 O THR A 111 170.926 -0.015 -9.237 1.00 0.00 O ATOM 506 CB THR A 111 172.379 -2.616 -8.101 1.00 0.00 C ATOM 507 OG1 THR A 111 171.451 -3.263 -7.246 1.00 0.00 O ATOM 508 CG2 THR A 111 173.760 -3.251 -7.934 1.00 0.00 C ATOM 0 H THR A 111 172.617 -1.992 -5.797 1.00 0.00 H new ATOM 0 HA THR A 111 173.245 -0.616 -8.293 1.00 0.00 H new ATOM 0 HB THR A 111 172.054 -2.726 -9.136 1.00 0.00 H new ATOM 0 HG1 THR A 111 171.069 -2.609 -6.624 1.00 0.00 H new ATOM 0 HG21 THR A 111 173.706 -4.310 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 111 174.470 -2.756 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 111 174.089 -3.140 -6.901 1.00 0.00 H new ATOM 516 N GLY A 112 170.262 -0.262 -7.149 1.00 0.00 N ATOM 517 CA GLY A 112 168.966 0.439 -7.385 1.00 0.00 C ATOM 518 C GLY A 112 169.138 1.953 -7.186 1.00 0.00 C ATOM 519 O GLY A 112 168.275 2.736 -7.535 1.00 0.00 O ATOM 0 H GLY A 112 170.398 -0.591 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.613 0.235 -8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 112 168.208 0.058 -6.700 1.00 0.00 H new ATOM 523 N LEU A 113 170.226 2.362 -6.578 1.00 0.00 N ATOM 524 CA LEU A 113 170.459 3.810 -6.287 1.00 0.00 C ATOM 525 C LEU A 113 171.264 4.508 -7.397 1.00 0.00 C ATOM 526 O LEU A 113 171.677 5.641 -7.236 1.00 0.00 O ATOM 527 CB LEU A 113 171.282 3.793 -4.993 1.00 0.00 C ATOM 528 CG LEU A 113 170.786 4.876 -4.034 1.00 0.00 C ATOM 529 CD1 LEU A 113 171.578 4.786 -2.729 1.00 0.00 C ATOM 530 CD2 LEU A 113 170.994 6.257 -4.660 1.00 0.00 C ATOM 0 H LEU A 113 170.974 1.742 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 113 169.519 4.357 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 113 171.206 2.815 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 113 172.335 3.955 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 113 169.724 4.729 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 113 171.231 5.555 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 113 171.431 3.803 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 113 172.638 4.936 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.639 7.025 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 113 172.055 6.410 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.437 6.321 -5.595 1.00 0.00 H new ATOM 542 N GLY A 114 171.526 3.848 -8.497 1.00 0.00 N ATOM 543 CA GLY A 114 172.344 4.484 -9.580 1.00 0.00 C ATOM 544 C GLY A 114 173.761 3.900 -9.520 1.00 0.00 C ATOM 545 O GLY A 114 174.736 4.551 -9.842 1.00 0.00 O ATOM 0 H GLY A 114 171.211 2.898 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.896 4.294 -10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.373 5.566 -9.448 1.00 0.00 H new ATOM 549 N GLU A 115 173.855 2.657 -9.137 1.00 0.00 N ATOM 550 CA GLU A 115 175.179 1.972 -9.076 1.00 0.00 C ATOM 551 C GLU A 115 175.230 0.833 -10.096 1.00 0.00 C ATOM 552 O GLU A 115 174.441 -0.090 -10.031 1.00 0.00 O ATOM 553 CB GLU A 115 175.287 1.420 -7.657 1.00 0.00 C ATOM 554 CG GLU A 115 176.756 1.145 -7.328 1.00 0.00 C ATOM 555 CD GLU A 115 177.382 2.394 -6.705 1.00 0.00 C ATOM 556 OE1 GLU A 115 176.798 2.923 -5.774 1.00 0.00 O ATOM 557 OE2 GLU A 115 178.434 2.800 -7.170 1.00 0.00 O ATOM 0 H GLU A 115 173.062 2.079 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 115 176.000 2.650 -9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.871 2.133 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 115 174.705 0.503 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 115 176.834 0.304 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 115 177.296 0.867 -8.233 1.00 0.00 H new ATOM 564 N LYS A 116 176.155 0.870 -11.022 1.00 0.00 N ATOM 565 CA LYS A 116 176.248 -0.241 -12.015 1.00 0.00 C ATOM 566 C LYS A 116 177.636 -0.875 -11.954 1.00 0.00 C ATOM 567 O LYS A 116 178.360 -0.941 -12.928 1.00 0.00 O ATOM 568 CB LYS A 116 175.937 0.360 -13.385 1.00 0.00 C ATOM 569 CG LYS A 116 174.457 0.744 -13.451 1.00 0.00 C ATOM 570 CD LYS A 116 174.145 1.347 -14.822 1.00 0.00 C ATOM 571 CE LYS A 116 174.822 2.715 -14.942 1.00 0.00 C ATOM 572 NZ LYS A 116 173.917 3.515 -15.814 1.00 0.00 N ATOM 0 H LYS A 116 176.843 1.614 -11.132 1.00 0.00 H new ATOM 0 HA LYS A 116 175.537 -1.040 -11.803 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.559 1.238 -13.558 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.173 -0.358 -14.171 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.835 -0.134 -13.278 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.221 1.461 -12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 116 174.498 0.684 -15.612 1.00 0.00 H new ATOM 0 HD3 LYS A 116 173.067 1.450 -14.950 1.00 0.00 H new ATOM 0 HE2 LYS A 116 174.944 3.182 -13.965 1.00 0.00 H new ATOM 0 HE3 LYS A 116 175.816 2.627 -15.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 174.313 4.468 -15.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 173.825 3.049 -16.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 172.980 3.587 -15.368 1.00 0.00 H new ATOM 586 N LEU A 117 177.975 -1.383 -10.801 1.00 0.00 N ATOM 587 CA LEU A 117 179.277 -2.076 -10.606 1.00 0.00 C ATOM 588 C LEU A 117 179.073 -3.565 -10.893 1.00 0.00 C ATOM 589 O LEU A 117 178.003 -4.100 -10.661 1.00 0.00 O ATOM 590 CB LEU A 117 179.642 -1.852 -9.136 1.00 0.00 C ATOM 591 CG LEU A 117 179.764 -0.352 -8.857 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.933 -0.125 -7.354 1.00 0.00 C ATOM 593 CD2 LEU A 117 180.983 0.206 -9.595 1.00 0.00 C ATOM 0 H LEU A 117 177.389 -1.345 -9.967 1.00 0.00 H new ATOM 0 HA LEU A 117 180.065 -1.707 -11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.880 -2.291 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.582 -2.352 -8.905 1.00 0.00 H new ATOM 0 HG LEU A 117 178.864 0.156 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 117 180.020 0.943 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 117 179.066 -0.523 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.833 -0.633 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 117 181.071 1.274 -9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.883 -0.302 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.865 0.044 -10.666 1.00 0.00 H new ATOM 605 N THR A 118 180.077 -4.242 -11.384 1.00 0.00 N ATOM 606 CA THR A 118 179.926 -5.699 -11.669 1.00 0.00 C ATOM 607 C THR A 118 180.772 -6.516 -10.691 1.00 0.00 C ATOM 608 O THR A 118 181.846 -6.091 -10.313 1.00 0.00 O ATOM 609 CB THR A 118 180.436 -5.879 -13.097 1.00 0.00 C ATOM 610 OG1 THR A 118 179.837 -4.904 -13.939 1.00 0.00 O ATOM 611 CG2 THR A 118 180.079 -7.279 -13.598 1.00 0.00 C ATOM 0 H THR A 118 180.994 -3.850 -11.600 1.00 0.00 H new ATOM 0 HA THR A 118 178.896 -6.037 -11.560 1.00 0.00 H new ATOM 0 HB THR A 118 181.519 -5.757 -13.113 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.165 -5.017 -14.856 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.444 -7.405 -14.617 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.541 -8.025 -12.952 1.00 0.00 H new ATOM 0 HG23 THR A 118 178.997 -7.406 -13.582 1.00 0.00 H new ATOM 619 N ASP A 119 180.289 -7.662 -10.244 1.00 0.00 N ATOM 620 CA ASP A 119 181.053 -8.505 -9.248 1.00 0.00 C ATOM 621 C ASP A 119 182.564 -8.525 -9.534 1.00 0.00 C ATOM 622 O ASP A 119 183.370 -8.616 -8.627 1.00 0.00 O ATOM 623 CB ASP A 119 180.471 -9.911 -9.407 1.00 0.00 C ATOM 624 CG ASP A 119 180.903 -10.783 -8.226 1.00 0.00 C ATOM 625 OD1 ASP A 119 182.005 -10.586 -7.741 1.00 0.00 O ATOM 626 OD2 ASP A 119 180.124 -11.633 -7.827 1.00 0.00 O ATOM 0 H ASP A 119 179.391 -8.053 -10.528 1.00 0.00 H new ATOM 0 HA ASP A 119 180.950 -8.107 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.383 -9.862 -9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 119 180.813 -10.353 -10.343 1.00 0.00 H new ATOM 631 N ALA A 120 182.946 -8.392 -10.778 1.00 0.00 N ATOM 632 CA ALA A 120 184.401 -8.347 -11.117 1.00 0.00 C ATOM 633 C ALA A 120 185.026 -7.115 -10.452 1.00 0.00 C ATOM 634 O ALA A 120 186.003 -7.212 -9.735 1.00 0.00 O ATOM 635 CB ALA A 120 184.454 -8.212 -12.641 1.00 0.00 C ATOM 0 H ALA A 120 182.314 -8.313 -11.574 1.00 0.00 H new ATOM 0 HA ALA A 120 184.944 -9.228 -10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.493 -8.172 -12.967 1.00 0.00 H new ATOM 0 HB2 ALA A 120 183.962 -9.070 -13.100 1.00 0.00 H new ATOM 0 HB3 ALA A 120 183.944 -7.297 -12.943 1.00 0.00 H new ATOM 641 N GLU A 121 184.447 -5.959 -10.673 1.00 0.00 N ATOM 642 CA GLU A 121 184.976 -4.713 -10.042 1.00 0.00 C ATOM 643 C GLU A 121 184.569 -4.653 -8.563 1.00 0.00 C ATOM 644 O GLU A 121 185.353 -4.292 -7.706 1.00 0.00 O ATOM 645 CB GLU A 121 184.330 -3.568 -10.823 1.00 0.00 C ATOM 646 CG GLU A 121 185.029 -3.414 -12.175 1.00 0.00 C ATOM 647 CD GLU A 121 184.358 -2.295 -12.973 1.00 0.00 C ATOM 648 OE1 GLU A 121 184.669 -1.143 -12.716 1.00 0.00 O ATOM 649 OE2 GLU A 121 183.546 -2.609 -13.827 1.00 0.00 O ATOM 0 H GLU A 121 183.628 -5.827 -11.266 1.00 0.00 H new ATOM 0 HA GLU A 121 186.064 -4.664 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.269 -3.768 -10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.403 -2.640 -10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 121 186.085 -3.186 -12.027 1.00 0.00 H new ATOM 0 HG3 GLU A 121 184.980 -4.351 -12.730 1.00 0.00 H new ATOM 656 N VAL A 122 183.345 -5.012 -8.266 1.00 0.00 N ATOM 657 CA VAL A 122 182.866 -4.990 -6.846 1.00 0.00 C ATOM 658 C VAL A 122 183.720 -5.924 -5.982 1.00 0.00 C ATOM 659 O VAL A 122 183.967 -5.641 -4.823 1.00 0.00 O ATOM 660 CB VAL A 122 181.409 -5.479 -6.893 1.00 0.00 C ATOM 661 CG1 VAL A 122 180.824 -5.518 -5.475 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.575 -4.521 -7.746 1.00 0.00 C ATOM 0 H VAL A 122 182.652 -5.321 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 122 182.941 -3.994 -6.408 1.00 0.00 H new ATOM 0 HB VAL A 122 181.386 -6.479 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.792 -5.865 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.411 -6.198 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 122 180.853 -4.518 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.542 -4.868 -7.779 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.608 -3.523 -7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 122 180.979 -4.489 -8.758 1.00 0.00 H new ATOM 672 N ASP A 123 184.177 -7.023 -6.527 1.00 0.00 N ATOM 673 CA ASP A 123 185.019 -7.952 -5.715 1.00 0.00 C ATOM 674 C ASP A 123 186.333 -7.255 -5.353 1.00 0.00 C ATOM 675 O ASP A 123 186.850 -7.413 -4.264 1.00 0.00 O ATOM 676 CB ASP A 123 185.257 -9.182 -6.592 1.00 0.00 C ATOM 677 CG ASP A 123 186.103 -10.202 -5.827 1.00 0.00 C ATOM 678 OD1 ASP A 123 187.274 -9.932 -5.617 1.00 0.00 O ATOM 679 OD2 ASP A 123 185.565 -11.236 -5.466 1.00 0.00 O ATOM 0 H ASP A 123 184.006 -7.315 -7.489 1.00 0.00 H new ATOM 0 HA ASP A 123 184.541 -8.242 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.304 -9.627 -6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.763 -8.892 -7.513 1.00 0.00 H new ATOM 684 N GLU A 124 186.862 -6.462 -6.253 1.00 0.00 N ATOM 685 CA GLU A 124 188.131 -5.725 -5.958 1.00 0.00 C ATOM 686 C GLU A 124 187.900 -4.764 -4.789 1.00 0.00 C ATOM 687 O GLU A 124 188.660 -4.728 -3.839 1.00 0.00 O ATOM 688 CB GLU A 124 188.452 -4.943 -7.234 1.00 0.00 C ATOM 689 CG GLU A 124 188.867 -5.916 -8.340 1.00 0.00 C ATOM 690 CD GLU A 124 190.218 -6.542 -7.988 1.00 0.00 C ATOM 691 OE1 GLU A 124 191.174 -5.796 -7.846 1.00 0.00 O ATOM 692 OE2 GLU A 124 190.275 -7.754 -7.867 1.00 0.00 O ATOM 0 H GLU A 124 186.470 -6.293 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 124 188.947 -6.393 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.581 -4.368 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.254 -4.229 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 124 188.113 -6.694 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 124 188.934 -5.392 -9.294 1.00 0.00 H new ATOM 699 N LEU A 125 186.844 -3.991 -4.854 1.00 0.00 N ATOM 700 CA LEU A 125 186.536 -3.028 -3.750 1.00 0.00 C ATOM 701 C LEU A 125 186.309 -3.790 -2.442 1.00 0.00 C ATOM 702 O LEU A 125 186.837 -3.444 -1.403 1.00 0.00 O ATOM 703 CB LEU A 125 185.239 -2.328 -4.183 1.00 0.00 C ATOM 704 CG LEU A 125 185.552 -0.991 -4.874 1.00 0.00 C ATOM 705 CD1 LEU A 125 186.280 -0.060 -3.900 1.00 0.00 C ATOM 706 CD2 LEU A 125 186.433 -1.232 -6.105 1.00 0.00 C ATOM 0 H LEU A 125 186.179 -3.985 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 125 187.348 -2.321 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.680 -2.973 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.605 -2.155 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 125 184.616 -0.528 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 125 186.499 0.886 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 125 185.648 0.124 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 125 187.212 -0.526 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 125 186.650 -0.280 -6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 125 187.366 -1.704 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 125 185.910 -1.884 -6.805 1.00 0.00 H new ATOM 718 N LEU A 126 185.517 -4.830 -2.501 1.00 0.00 N ATOM 719 CA LEU A 126 185.229 -5.643 -1.279 1.00 0.00 C ATOM 720 C LEU A 126 186.513 -6.246 -0.699 1.00 0.00 C ATOM 721 O LEU A 126 186.538 -6.700 0.427 1.00 0.00 O ATOM 722 CB LEU A 126 184.301 -6.762 -1.754 1.00 0.00 C ATOM 723 CG LEU A 126 182.875 -6.226 -1.877 1.00 0.00 C ATOM 724 CD1 LEU A 126 182.004 -7.267 -2.579 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.311 -5.947 -0.482 1.00 0.00 C ATOM 0 H LEU A 126 185.053 -5.154 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 126 184.784 -5.033 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.640 -7.146 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.328 -7.594 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 126 182.881 -5.302 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 126 180.986 -6.889 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.406 -7.467 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 126 181.999 -8.189 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.294 -5.565 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.303 -6.870 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 126 182.934 -5.208 0.021 1.00 0.00 H new ATOM 737 N LYS A 127 187.570 -6.289 -1.473 1.00 0.00 N ATOM 738 CA LYS A 127 188.842 -6.905 -0.981 1.00 0.00 C ATOM 739 C LYS A 127 189.316 -6.233 0.316 1.00 0.00 C ATOM 740 O LYS A 127 190.098 -6.798 1.058 1.00 0.00 O ATOM 741 CB LYS A 127 189.856 -6.651 -2.103 1.00 0.00 C ATOM 742 CG LYS A 127 191.203 -7.284 -1.741 1.00 0.00 C ATOM 743 CD LYS A 127 192.128 -6.219 -1.146 1.00 0.00 C ATOM 744 CE LYS A 127 193.569 -6.734 -1.145 1.00 0.00 C ATOM 745 NZ LYS A 127 194.410 -5.518 -0.958 1.00 0.00 N ATOM 0 H LYS A 127 187.607 -5.924 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 127 188.717 -7.964 -0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.488 -7.069 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 127 189.978 -5.579 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 127 191.055 -8.093 -1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 127 191.660 -7.723 -2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 127 192.060 -5.299 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 127 191.816 -5.979 -0.130 1.00 0.00 H new ATOM 0 HE2 LYS A 127 193.731 -7.454 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 127 193.808 -7.240 -2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 195.414 -5.789 -0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 194.239 -4.854 -1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 194.164 -5.061 -0.057 1.00 0.00 H new ATOM 759 N GLY A 128 188.858 -5.035 0.591 1.00 0.00 N ATOM 760 CA GLY A 128 189.294 -4.335 1.836 1.00 0.00 C ATOM 761 C GLY A 128 188.097 -4.076 2.756 1.00 0.00 C ATOM 762 O GLY A 128 188.107 -3.139 3.535 1.00 0.00 O ATOM 0 H GLY A 128 188.203 -4.515 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.037 -4.938 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 128 189.774 -3.390 1.580 1.00 0.00 H new ATOM 766 N VAL A 129 187.071 -4.896 2.692 1.00 0.00 N ATOM 767 CA VAL A 129 185.891 -4.680 3.587 1.00 0.00 C ATOM 768 C VAL A 129 185.862 -5.746 4.692 1.00 0.00 C ATOM 769 O VAL A 129 185.962 -6.932 4.445 1.00 0.00 O ATOM 770 CB VAL A 129 184.650 -4.752 2.683 1.00 0.00 C ATOM 771 CG1 VAL A 129 184.462 -6.176 2.133 1.00 0.00 C ATOM 772 CG2 VAL A 129 183.414 -4.346 3.492 1.00 0.00 C ATOM 0 H VAL A 129 187.002 -5.697 2.064 1.00 0.00 H new ATOM 0 HA VAL A 129 185.932 -3.716 4.095 1.00 0.00 H new ATOM 0 HB VAL A 129 184.785 -4.072 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 129 183.578 -6.206 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 129 185.339 -6.460 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 129 184.335 -6.872 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 129 182.530 -4.395 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 129 183.292 -5.025 4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 129 183.539 -3.328 3.861 1.00 0.00 H new ATOM 782 N GLU A 130 185.746 -5.302 5.915 1.00 0.00 N ATOM 783 CA GLU A 130 185.731 -6.235 7.077 1.00 0.00 C ATOM 784 C GLU A 130 184.314 -6.426 7.628 1.00 0.00 C ATOM 785 O GLU A 130 183.782 -5.574 8.315 1.00 0.00 O ATOM 786 CB GLU A 130 186.610 -5.553 8.125 1.00 0.00 C ATOM 787 CG GLU A 130 186.882 -6.524 9.275 1.00 0.00 C ATOM 788 CD GLU A 130 187.949 -7.535 8.849 1.00 0.00 C ATOM 789 OE1 GLU A 130 188.841 -7.151 8.110 1.00 0.00 O ATOM 790 OE2 GLU A 130 187.855 -8.677 9.268 1.00 0.00 O ATOM 0 H GLU A 130 185.660 -4.316 6.161 1.00 0.00 H new ATOM 0 HA GLU A 130 186.087 -7.227 6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.550 -5.234 7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 130 186.117 -4.657 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 130 187.216 -5.976 10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 130 185.964 -7.043 9.552 1.00 0.00 H new ATOM 797 N VAL A 131 183.721 -7.560 7.356 1.00 0.00 N ATOM 798 CA VAL A 131 182.353 -7.849 7.886 1.00 0.00 C ATOM 799 C VAL A 131 182.491 -8.523 9.257 1.00 0.00 C ATOM 800 O VAL A 131 183.543 -9.031 9.596 1.00 0.00 O ATOM 801 CB VAL A 131 181.688 -8.791 6.864 1.00 0.00 C ATOM 802 CG1 VAL A 131 181.685 -8.134 5.482 1.00 0.00 C ATOM 803 CG2 VAL A 131 182.441 -10.127 6.786 1.00 0.00 C ATOM 0 H VAL A 131 184.127 -8.302 6.787 1.00 0.00 H new ATOM 0 HA VAL A 131 181.752 -6.949 8.016 1.00 0.00 H new ATOM 0 HB VAL A 131 180.665 -8.981 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 131 181.214 -8.803 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 131 181.128 -7.198 5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.711 -7.932 5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 131 181.955 -10.777 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 131 183.471 -9.947 6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 131 182.432 -10.607 7.764 1.00 0.00 H new ATOM 813 N ASP A 132 181.449 -8.520 10.048 1.00 0.00 N ATOM 814 CA ASP A 132 181.538 -9.150 11.400 1.00 0.00 C ATOM 815 C ASP A 132 181.094 -10.614 11.355 1.00 0.00 C ATOM 816 O ASP A 132 180.796 -11.160 10.310 1.00 0.00 O ATOM 817 CB ASP A 132 180.593 -8.331 12.280 1.00 0.00 C ATOM 818 CG ASP A 132 181.183 -6.937 12.511 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.398 -6.830 12.572 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.410 -6.000 12.622 1.00 0.00 O ATOM 0 H ASP A 132 180.544 -8.110 9.818 1.00 0.00 H new ATOM 0 HA ASP A 132 182.560 -9.151 11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.616 -8.249 11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.441 -8.835 13.234 1.00 0.00 H new ATOM 825 N SER A 133 181.063 -11.250 12.499 1.00 0.00 N ATOM 826 CA SER A 133 180.656 -12.690 12.570 1.00 0.00 C ATOM 827 C SER A 133 179.156 -12.880 12.277 1.00 0.00 C ATOM 828 O SER A 133 178.674 -13.998 12.246 1.00 0.00 O ATOM 829 CB SER A 133 180.975 -13.122 14.001 1.00 0.00 C ATOM 830 OG SER A 133 182.312 -13.599 14.061 1.00 0.00 O ATOM 0 H SER A 133 181.304 -10.830 13.397 1.00 0.00 H new ATOM 0 HA SER A 133 181.184 -13.283 11.823 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.845 -12.282 14.684 1.00 0.00 H new ATOM 0 HB3 SER A 133 180.284 -13.902 14.320 1.00 0.00 H new ATOM 0 HG SER A 133 182.520 -13.875 14.978 1.00 0.00 H new ATOM 836 N ASN A 134 178.418 -11.820 12.041 1.00 0.00 N ATOM 837 CA ASN A 134 176.964 -11.967 11.729 1.00 0.00 C ATOM 838 C ASN A 134 176.696 -11.677 10.242 1.00 0.00 C ATOM 839 O ASN A 134 175.600 -11.892 9.757 1.00 0.00 O ATOM 840 CB ASN A 134 176.256 -10.948 12.627 1.00 0.00 C ATOM 841 CG ASN A 134 176.757 -9.530 12.319 1.00 0.00 C ATOM 842 OD1 ASN A 134 177.501 -9.320 11.380 1.00 0.00 O ATOM 843 ND2 ASN A 134 176.378 -8.540 13.081 1.00 0.00 N ATOM 0 H ASN A 134 178.762 -10.860 12.052 1.00 0.00 H new ATOM 0 HA ASN A 134 176.606 -12.980 11.911 1.00 0.00 H new ATOM 0 HB2 ASN A 134 175.179 -11.002 12.472 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.439 -11.187 13.675 1.00 0.00 H new ATOM 0 HD21 ASN A 134 176.706 -7.594 12.888 1.00 0.00 H new ATOM 0 HD22 ASN A 134 175.754 -8.713 13.869 1.00 0.00 H new ATOM 850 N GLY A 135 177.680 -11.194 9.514 1.00 0.00 N ATOM 851 CA GLY A 135 177.467 -10.897 8.066 1.00 0.00 C ATOM 852 C GLY A 135 176.874 -9.496 7.902 1.00 0.00 C ATOM 853 O GLY A 135 176.190 -9.212 6.937 1.00 0.00 O ATOM 0 H GLY A 135 178.617 -10.995 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.413 -10.966 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.798 -11.638 7.629 1.00 0.00 H new ATOM 857 N GLU A 136 177.120 -8.624 8.849 1.00 0.00 N ATOM 858 CA GLU A 136 176.563 -7.241 8.767 1.00 0.00 C ATOM 859 C GLU A 136 177.669 -6.223 8.482 1.00 0.00 C ATOM 860 O GLU A 136 178.760 -6.299 9.013 1.00 0.00 O ATOM 861 CB GLU A 136 175.936 -6.985 10.138 1.00 0.00 C ATOM 862 CG GLU A 136 174.703 -7.876 10.309 1.00 0.00 C ATOM 863 CD GLU A 136 174.069 -7.624 11.680 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.174 -6.510 12.168 1.00 0.00 O ATOM 865 OE2 GLU A 136 173.487 -8.551 12.219 1.00 0.00 O ATOM 0 H GLU A 136 177.685 -8.813 9.677 1.00 0.00 H new ATOM 0 HA GLU A 136 175.838 -7.142 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.660 -7.193 10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.656 -5.936 10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 136 173.980 -7.668 9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.985 -8.925 10.215 1.00 0.00 H new ATOM 872 N ILE A 137 177.373 -5.266 7.643 1.00 0.00 N ATOM 873 CA ILE A 137 178.371 -4.214 7.297 1.00 0.00 C ATOM 874 C ILE A 137 177.722 -2.835 7.453 1.00 0.00 C ATOM 875 O ILE A 137 176.519 -2.724 7.606 1.00 0.00 O ATOM 876 CB ILE A 137 178.744 -4.492 5.834 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.424 -5.862 5.738 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.708 -3.417 5.323 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.369 -6.963 5.585 1.00 0.00 C ATOM 0 H ILE A 137 176.471 -5.168 7.177 1.00 0.00 H new ATOM 0 HA ILE A 137 179.252 -4.228 7.939 1.00 0.00 H new ATOM 0 HB ILE A 137 177.839 -4.480 5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.106 -5.880 4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 137 180.023 -6.043 6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 137 179.966 -3.624 4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.231 -2.439 5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.613 -3.422 5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.862 -7.933 5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.705 -6.953 6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.789 -6.787 4.679 1.00 0.00 H new ATOM 891 N ASP A 138 178.504 -1.786 7.410 1.00 0.00 N ATOM 892 CA ASP A 138 177.926 -0.414 7.550 1.00 0.00 C ATOM 893 C ASP A 138 177.702 0.197 6.162 1.00 0.00 C ATOM 894 O ASP A 138 178.641 0.453 5.432 1.00 0.00 O ATOM 895 CB ASP A 138 178.977 0.382 8.326 1.00 0.00 C ATOM 896 CG ASP A 138 178.406 1.749 8.714 1.00 0.00 C ATOM 897 OD1 ASP A 138 177.604 2.272 7.957 1.00 0.00 O ATOM 898 OD2 ASP A 138 178.781 2.248 9.761 1.00 0.00 O ATOM 0 H ASP A 138 179.516 -1.820 7.284 1.00 0.00 H new ATOM 0 HA ASP A 138 176.963 -0.415 8.061 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.275 -0.166 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.872 0.510 7.718 1.00 0.00 H new ATOM 903 N TYR A 139 176.467 0.399 5.784 1.00 0.00 N ATOM 904 CA TYR A 139 176.172 0.958 4.427 1.00 0.00 C ATOM 905 C TYR A 139 176.746 2.374 4.254 1.00 0.00 C ATOM 906 O TYR A 139 176.947 2.823 3.140 1.00 0.00 O ATOM 907 CB TYR A 139 174.634 0.953 4.305 1.00 0.00 C ATOM 908 CG TYR A 139 173.996 1.985 5.213 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.689 1.666 6.541 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.697 3.258 4.713 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.088 2.621 7.368 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.092 4.212 5.541 1.00 0.00 C ATOM 913 CZ TYR A 139 172.789 3.893 6.869 1.00 0.00 C ATOM 914 OH TYR A 139 172.193 4.832 7.686 1.00 0.00 O ATOM 0 H TYR A 139 175.646 0.201 6.357 1.00 0.00 H new ATOM 0 HA TYR A 139 176.639 0.362 3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.350 1.153 3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.252 -0.037 4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 139 173.916 0.683 6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.933 3.505 3.688 1.00 0.00 H new ATOM 0 HE1 TYR A 139 172.854 2.376 8.394 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.860 5.193 5.154 1.00 0.00 H new ATOM 0 HH TYR A 139 172.269 5.718 7.275 1.00 0.00 H new ATOM 924 N LYS A 140 176.993 3.088 5.327 1.00 0.00 N ATOM 925 CA LYS A 140 177.530 4.477 5.184 1.00 0.00 C ATOM 926 C LYS A 140 179.049 4.465 4.996 1.00 0.00 C ATOM 927 O LYS A 140 179.608 5.318 4.333 1.00 0.00 O ATOM 928 CB LYS A 140 177.174 5.186 6.492 1.00 0.00 C ATOM 929 CG LYS A 140 175.656 5.267 6.639 1.00 0.00 C ATOM 930 CD LYS A 140 175.305 6.138 7.846 1.00 0.00 C ATOM 931 CE LYS A 140 175.603 7.604 7.523 1.00 0.00 C ATOM 932 NZ LYS A 140 174.866 8.384 8.556 1.00 0.00 N ATOM 0 H LYS A 140 176.847 2.772 6.286 1.00 0.00 H new ATOM 0 HA LYS A 140 177.108 4.975 4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 140 177.602 4.647 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.604 6.188 6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 140 175.214 5.686 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 140 175.239 4.268 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 140 174.252 6.018 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 140 175.881 5.822 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 140 176.673 7.807 7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 140 175.267 7.863 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 175.022 9.400 8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 173.849 8.175 8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 175.211 8.122 9.501 1.00 0.00 H new ATOM 946 N LYS A 141 179.717 3.520 5.601 1.00 0.00 N ATOM 947 CA LYS A 141 181.208 3.457 5.495 1.00 0.00 C ATOM 948 C LYS A 141 181.657 3.076 4.082 1.00 0.00 C ATOM 949 O LYS A 141 182.565 3.672 3.532 1.00 0.00 O ATOM 950 CB LYS A 141 181.634 2.375 6.491 1.00 0.00 C ATOM 951 CG LYS A 141 181.348 2.850 7.916 1.00 0.00 C ATOM 952 CD LYS A 141 182.348 3.941 8.302 1.00 0.00 C ATOM 953 CE LYS A 141 182.219 4.245 9.796 1.00 0.00 C ATOM 954 NZ LYS A 141 183.408 5.082 10.122 1.00 0.00 N ATOM 0 H LYS A 141 179.294 2.784 6.167 1.00 0.00 H new ATOM 0 HA LYS A 141 181.659 4.426 5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 141 181.095 1.449 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.696 2.157 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 141 180.330 3.234 7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 141 181.421 2.013 8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 141 183.363 3.617 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 141 182.162 4.843 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 141 181.292 4.775 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 141 182.207 3.329 10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 183.391 5.332 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 184.276 4.549 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 183.388 5.951 9.550 1.00 0.00 H new ATOM 968 N PHE A 142 181.056 2.064 3.509 1.00 0.00 N ATOM 969 CA PHE A 142 181.480 1.614 2.148 1.00 0.00 C ATOM 970 C PHE A 142 181.093 2.633 1.072 1.00 0.00 C ATOM 971 O PHE A 142 181.753 2.732 0.056 1.00 0.00 O ATOM 972 CB PHE A 142 180.774 0.275 1.915 1.00 0.00 C ATOM 973 CG PHE A 142 181.207 -0.307 0.588 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.565 -0.533 0.333 1.00 0.00 C ATOM 975 CD2 PHE A 142 180.250 -0.619 -0.386 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.966 -1.073 -0.895 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.653 -1.159 -1.614 1.00 0.00 C ATOM 978 CZ PHE A 142 182.011 -1.385 -1.868 1.00 0.00 C ATOM 0 H PHE A 142 180.292 1.531 3.924 1.00 0.00 H new ATOM 0 HA PHE A 142 182.564 1.514 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 142 181.013 -0.418 2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.693 0.416 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 142 183.303 -0.291 1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 142 179.202 -0.443 -0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 142 184.013 -1.249 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 142 179.916 -1.401 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.321 -1.800 -2.815 1.00 0.00 H new ATOM 988 N ILE A 143 180.041 3.390 1.272 1.00 0.00 N ATOM 989 CA ILE A 143 179.642 4.392 0.232 1.00 0.00 C ATOM 990 C ILE A 143 180.519 5.649 0.318 1.00 0.00 C ATOM 991 O ILE A 143 180.944 6.176 -0.693 1.00 0.00 O ATOM 992 CB ILE A 143 178.157 4.713 0.485 1.00 0.00 C ATOM 993 CG1 ILE A 143 177.965 5.390 1.856 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.342 3.417 0.439 1.00 0.00 C ATOM 995 CD1 ILE A 143 176.492 5.768 2.044 1.00 0.00 C ATOM 0 H ILE A 143 179.447 3.359 2.100 1.00 0.00 H new ATOM 0 HA ILE A 143 179.781 3.997 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 143 177.814 5.399 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 143 178.282 4.717 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 143 178.590 6.280 1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.291 3.642 0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.452 2.953 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.703 2.733 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 143 176.360 6.246 3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 143 176.190 6.457 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 143 175.877 4.870 1.996 1.00 0.00 H new ATOM 1007 N GLU A 144 180.793 6.134 1.502 1.00 0.00 N ATOM 1008 CA GLU A 144 181.644 7.360 1.636 1.00 0.00 C ATOM 1009 C GLU A 144 183.066 7.085 1.143 1.00 0.00 C ATOM 1010 O GLU A 144 183.755 7.992 0.709 1.00 0.00 O ATOM 1011 CB GLU A 144 181.653 7.679 3.132 1.00 0.00 C ATOM 1012 CG GLU A 144 180.250 8.101 3.574 1.00 0.00 C ATOM 1013 CD GLU A 144 180.232 8.327 5.088 1.00 0.00 C ATOM 1014 OE1 GLU A 144 181.253 8.735 5.621 1.00 0.00 O ATOM 1015 OE2 GLU A 144 179.199 8.090 5.690 1.00 0.00 O ATOM 0 H GLU A 144 180.466 5.736 2.382 1.00 0.00 H new ATOM 0 HA GLU A 144 181.258 8.188 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 144 181.977 6.806 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 144 182.366 8.476 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.955 9.014 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 144 179.526 7.332 3.303 1.00 0.00 H new ATOM 1022 N ASP A 145 183.512 5.856 1.193 1.00 0.00 N ATOM 1023 CA ASP A 145 184.893 5.550 0.709 1.00 0.00 C ATOM 1024 C ASP A 145 184.884 5.244 -0.798 1.00 0.00 C ATOM 1025 O ASP A 145 185.924 5.236 -1.432 1.00 0.00 O ATOM 1026 CB ASP A 145 185.375 4.351 1.528 1.00 0.00 C ATOM 1027 CG ASP A 145 186.905 4.331 1.553 1.00 0.00 C ATOM 1028 OD1 ASP A 145 187.498 4.583 0.517 1.00 0.00 O ATOM 1029 OD2 ASP A 145 187.456 4.066 2.608 1.00 0.00 O ATOM 0 H ASP A 145 182.985 5.057 1.545 1.00 0.00 H new ATOM 0 HA ASP A 145 185.564 6.399 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.985 4.411 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.996 3.425 1.095 1.00 0.00 H new ATOM 1034 N VAL A 146 183.728 5.040 -1.388 1.00 0.00 N ATOM 1035 CA VAL A 146 183.671 4.794 -2.861 1.00 0.00 C ATOM 1036 C VAL A 146 183.366 6.126 -3.557 1.00 0.00 C ATOM 1037 O VAL A 146 183.934 6.460 -4.579 1.00 0.00 O ATOM 1038 CB VAL A 146 182.536 3.783 -3.062 1.00 0.00 C ATOM 1039 CG1 VAL A 146 182.306 3.545 -4.558 1.00 0.00 C ATOM 1040 CG2 VAL A 146 182.918 2.458 -2.399 1.00 0.00 C ATOM 0 H VAL A 146 182.826 5.034 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 146 184.602 4.408 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 146 181.623 4.176 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 146 181.498 2.826 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 146 182.038 4.486 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 146 183.218 3.154 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 146 182.114 1.736 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 146 183.833 2.075 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 146 183.080 2.618 -1.333 1.00 0.00 H new ATOM 1050 N LEU A 147 182.474 6.889 -2.982 1.00 0.00 N ATOM 1051 CA LEU A 147 182.107 8.220 -3.559 1.00 0.00 C ATOM 1052 C LEU A 147 183.327 9.148 -3.657 1.00 0.00 C ATOM 1053 O LEU A 147 183.312 10.121 -4.387 1.00 0.00 O ATOM 1054 CB LEU A 147 181.069 8.806 -2.595 1.00 0.00 C ATOM 1055 CG LEU A 147 179.669 8.666 -3.196 1.00 0.00 C ATOM 1056 CD1 LEU A 147 179.245 7.197 -3.172 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.677 9.496 -2.376 1.00 0.00 C ATOM 0 H LEU A 147 181.977 6.645 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 147 181.720 8.117 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 147 181.117 8.290 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 147 181.289 9.856 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 147 179.680 9.023 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 147 178.248 7.099 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 147 179.950 6.605 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 147 179.235 6.838 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.679 9.397 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.668 9.139 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 147 178.977 10.544 -2.394 1.00 0.00 H new ATOM 1069 N ARG A 148 184.380 8.854 -2.933 1.00 0.00 N ATOM 1070 CA ARG A 148 185.600 9.723 -2.991 1.00 0.00 C ATOM 1071 C ARG A 148 186.152 9.766 -4.419 1.00 0.00 C ATOM 1072 O ARG A 148 186.579 10.800 -4.896 1.00 0.00 O ATOM 1073 CB ARG A 148 186.613 9.059 -2.055 1.00 0.00 C ATOM 1074 CG ARG A 148 186.373 9.534 -0.620 1.00 0.00 C ATOM 1075 CD ARG A 148 187.560 9.130 0.256 1.00 0.00 C ATOM 1076 NE ARG A 148 187.412 9.935 1.500 1.00 0.00 N ATOM 1077 CZ ARG A 148 188.429 10.604 1.971 1.00 0.00 C ATOM 1078 NH1 ARG A 148 189.411 9.972 2.554 1.00 0.00 N ATOM 1079 NH2 ARG A 148 188.465 11.903 1.857 1.00 0.00 N ATOM 0 H ARG A 148 184.449 8.053 -2.306 1.00 0.00 H new ATOM 0 HA ARG A 148 185.383 10.750 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 148 186.518 7.975 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 148 187.628 9.307 -2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 148 186.245 10.616 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 148 185.454 9.097 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 148 187.545 8.062 0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 148 188.507 9.341 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 148 186.515 9.964 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 148 189.383 8.956 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 148 190.206 10.494 2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 148 187.698 12.396 1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 148 189.260 12.425 2.225 1.00 0.00 H new ATOM 1093 N GLN A 149 186.144 8.649 -5.101 1.00 0.00 N ATOM 1094 CA GLN A 149 186.666 8.613 -6.499 1.00 0.00 C ATOM 1095 C GLN A 149 185.638 7.966 -7.431 1.00 0.00 C ATOM 1096 O GLN A 149 184.834 7.188 -6.945 1.00 0.00 O ATOM 1097 CB GLN A 149 187.935 7.763 -6.426 1.00 0.00 C ATOM 1098 CG GLN A 149 189.090 8.612 -5.892 1.00 0.00 C ATOM 1099 CD GLN A 149 190.315 7.724 -5.665 1.00 0.00 C ATOM 1100 OE1 GLN A 149 190.550 7.265 -4.566 1.00 0.00 O ATOM 1101 NE2 GLN A 149 191.108 7.460 -6.667 1.00 0.00 N ATOM 1102 OXT GLN A 149 185.673 8.260 -8.614 1.00 0.00 O ATOM 0 H GLN A 149 185.797 7.757 -4.748 1.00 0.00 H new ATOM 0 HA GLN A 149 186.866 9.610 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 149 187.772 6.903 -5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 149 188.182 7.374 -7.414 1.00 0.00 H new ATOM 0 HG2 GLN A 149 189.329 9.406 -6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 149 188.799 9.094 -4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 149 190.910 7.846 -7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 149 191.926 6.867 -6.527 1.00 0.00 H new TER 1111 GLN A 149