USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 265 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 18 THR OG1 : rot 71:sc= -2.37! USER MOD Set 1.2: A 20 HIS : no HD1:sc= -0.191 X(o=-2.6,f=-2.2) USER MOD Single : A 15 SER OG : rot -32:sc= 0.0727 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -140:sc= -0.0526 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -135:sc= 0.336 USER MOD Single : A 29 TYR OH : rot -139:sc= 0.21 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0298 USER MOD Single : A 31 ASN : amide:sc= 1.31 K(o=1.3,f=-7.9!) USER MOD Single : A 32 THR OG1 : rot -37:sc= 1.17 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.0323 (180deg=-0.239) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 37 SER OG : rot -126:sc= 1.3 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 15 -8.825 -6.080 1.277 1.00 0.00 N ATOM 2 CA SER A 15 -9.217 -6.020 -0.129 1.00 0.00 C ATOM 3 C SER A 15 -9.059 -4.611 -0.686 1.00 0.00 C ATOM 4 O SER A 15 -9.019 -3.636 0.064 1.00 0.00 O ATOM 5 CB SER A 15 -10.664 -6.485 -0.301 1.00 0.00 C ATOM 6 OG SER A 15 -11.553 -5.674 0.445 1.00 0.00 O ATOM 0 HA SER A 15 -8.558 -6.686 -0.685 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.936 -6.453 -1.356 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.756 -7.522 0.021 1.00 0.00 H new ATOM 0 HG SER A 15 -11.103 -5.355 1.255 1.00 0.00 H new ATOM 12 N MET A 16 -8.966 -4.518 -2.010 1.00 0.00 N ATOM 13 CA MET A 16 -8.814 -3.234 -2.683 1.00 0.00 C ATOM 14 C MET A 16 -7.553 -2.510 -2.218 1.00 0.00 C ATOM 15 O MET A 16 -7.600 -1.674 -1.316 1.00 0.00 O ATOM 16 CB MET A 16 -10.047 -2.362 -2.438 1.00 0.00 C ATOM 17 CG MET A 16 -11.092 -2.465 -3.537 1.00 0.00 C ATOM 18 SD MET A 16 -11.718 -4.143 -3.745 1.00 0.00 S ATOM 19 CE MET A 16 -12.819 -3.922 -5.140 1.00 0.00 C ATOM 0 H MET A 16 -8.994 -5.321 -2.639 1.00 0.00 H new ATOM 0 HA MET A 16 -8.717 -3.422 -3.752 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.501 -2.647 -1.489 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.734 -1.322 -2.342 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.922 -1.797 -3.307 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.659 -2.124 -4.477 1.00 0.00 H new ATOM 0 HE1 MET A 16 -13.285 -4.875 -5.391 1.00 0.00 H new ATOM 0 HE2 MET A 16 -13.591 -3.197 -4.883 1.00 0.00 H new ATOM 0 HE3 MET A 16 -12.252 -3.559 -5.997 1.00 0.00 H new ATOM 29 N TRP A 17 -6.427 -2.838 -2.847 1.00 0.00 N ATOM 30 CA TRP A 17 -5.150 -2.221 -2.505 1.00 0.00 C ATOM 31 C TRP A 17 -4.418 -1.755 -3.761 1.00 0.00 C ATOM 32 O TRP A 17 -4.732 -2.188 -4.870 1.00 0.00 O ATOM 33 CB TRP A 17 -4.255 -3.209 -1.752 1.00 0.00 C ATOM 34 CG TRP A 17 -4.916 -3.875 -0.586 1.00 0.00 C ATOM 35 CD1 TRP A 17 -5.760 -4.947 -0.625 1.00 0.00 C ATOM 36 CD2 TRP A 17 -4.775 -3.525 0.797 1.00 0.00 C ATOM 37 NE1 TRP A 17 -6.155 -5.285 0.647 1.00 0.00 N ATOM 38 CE2 TRP A 17 -5.565 -4.427 1.538 1.00 0.00 C ATOM 39 CE3 TRP A 17 -4.060 -2.537 1.484 1.00 0.00 C ATOM 40 CZ2 TRP A 17 -5.657 -4.371 2.924 1.00 0.00 C ATOM 41 CZ3 TRP A 17 -4.154 -2.484 2.863 1.00 0.00 C ATOM 42 CH2 TRP A 17 -4.947 -3.397 3.569 1.00 0.00 C ATOM 0 H TRP A 17 -6.374 -3.528 -3.596 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.362 -1.362 -1.869 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.914 -3.976 -2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.368 -2.682 -1.400 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -6.072 -5.456 -1.525 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.785 -6.050 0.889 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.446 -1.829 0.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -6.268 -5.073 3.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.607 -1.726 3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -4.999 -3.330 4.646 1.00 0.00 H new ATOM 53 N THR A 18 -3.444 -0.872 -3.575 1.00 0.00 N ATOM 54 CA THR A 18 -2.646 -0.362 -4.684 1.00 0.00 C ATOM 55 C THR A 18 -1.164 -0.554 -4.390 1.00 0.00 C ATOM 56 O THR A 18 -0.726 -0.379 -3.252 1.00 0.00 O ATOM 57 CB THR A 18 -2.922 1.130 -4.954 1.00 0.00 C ATOM 58 OG1 THR A 18 -2.339 1.927 -3.919 1.00 0.00 O ATOM 59 CG2 THR A 18 -4.417 1.400 -5.027 1.00 0.00 C ATOM 0 H THR A 18 -3.187 -0.493 -2.664 1.00 0.00 H new ATOM 0 HA THR A 18 -2.928 -0.925 -5.574 1.00 0.00 H new ATOM 0 HB THR A 18 -2.475 1.393 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.363 1.913 -4.006 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.586 2.460 -5.218 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.854 0.811 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.883 1.123 -4.082 1.00 0.00 H new ATOM 67 N GLU A 19 -0.394 -0.907 -5.414 1.00 0.00 N ATOM 68 CA GLU A 19 1.037 -1.136 -5.242 1.00 0.00 C ATOM 69 C GLU A 19 1.859 0.025 -5.792 1.00 0.00 C ATOM 70 O GLU A 19 1.763 0.370 -6.969 1.00 0.00 O ATOM 71 CB GLU A 19 1.451 -2.437 -5.934 1.00 0.00 C ATOM 72 CG GLU A 19 2.912 -2.801 -5.717 1.00 0.00 C ATOM 73 CD GLU A 19 3.325 -4.037 -6.490 1.00 0.00 C ATOM 74 OE1 GLU A 19 3.196 -5.152 -5.942 1.00 0.00 O ATOM 75 OE2 GLU A 19 3.779 -3.892 -7.645 1.00 0.00 O ATOM 0 H GLU A 19 -0.734 -1.040 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 19 1.234 -1.214 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.824 -3.250 -5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.262 -2.346 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.540 -1.962 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.088 -2.966 -4.654 1.00 0.00 H new ATOM 82 N HIS A 20 2.672 0.621 -4.922 1.00 0.00 N ATOM 83 CA HIS A 20 3.528 1.736 -5.308 1.00 0.00 C ATOM 84 C HIS A 20 4.859 1.662 -4.569 1.00 0.00 C ATOM 85 O HIS A 20 4.946 1.090 -3.482 1.00 0.00 O ATOM 86 CB HIS A 20 2.836 3.071 -5.027 1.00 0.00 C ATOM 87 CG HIS A 20 1.781 3.418 -6.030 1.00 0.00 C ATOM 88 ND1 HIS A 20 2.064 3.981 -7.257 1.00 0.00 N ATOM 89 CD2 HIS A 20 0.434 3.276 -5.986 1.00 0.00 C ATOM 90 CE1 HIS A 20 0.940 4.171 -7.923 1.00 0.00 C ATOM 91 NE2 HIS A 20 -0.063 3.752 -7.175 1.00 0.00 N ATOM 0 H HIS A 20 2.754 0.348 -3.943 1.00 0.00 H new ATOM 0 HA HIS A 20 3.719 1.668 -6.379 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.386 3.036 -4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.585 3.863 -5.010 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.141 2.866 -5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.856 4.597 -8.912 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.048 3.777 -7.437 1.00 0.00 H new ATOM 100 N LYS A 21 5.897 2.244 -5.161 1.00 0.00 N ATOM 101 CA LYS A 21 7.225 2.222 -4.561 1.00 0.00 C ATOM 102 C LYS A 21 7.574 3.553 -3.900 1.00 0.00 C ATOM 103 O LYS A 21 7.835 4.544 -4.582 1.00 0.00 O ATOM 104 CB LYS A 21 8.273 1.884 -5.623 1.00 0.00 C ATOM 105 CG LYS A 21 9.692 1.822 -5.083 1.00 0.00 C ATOM 106 CD LYS A 21 10.694 1.520 -6.184 1.00 0.00 C ATOM 107 CE LYS A 21 12.121 1.534 -5.658 1.00 0.00 C ATOM 108 NZ LYS A 21 13.115 1.291 -6.739 1.00 0.00 N ATOM 0 H LYS A 21 5.844 2.735 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 21 7.222 1.455 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.023 0.924 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.228 2.631 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.944 2.771 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.756 1.055 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.475 0.545 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.592 2.255 -6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.325 2.496 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.231 0.772 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.075 1.309 -6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.937 0.362 -7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.028 2.032 -7.463 1.00 0.00 H new ATOM 122 N SER A 22 7.565 3.563 -2.566 1.00 0.00 N ATOM 123 CA SER A 22 7.909 4.752 -1.797 1.00 0.00 C ATOM 124 C SER A 22 9.154 5.425 -2.375 1.00 0.00 C ATOM 125 O SER A 22 10.169 4.763 -2.603 1.00 0.00 O ATOM 126 CB SER A 22 8.154 4.375 -0.332 1.00 0.00 C ATOM 127 OG SER A 22 8.674 5.472 0.397 1.00 0.00 O ATOM 0 H SER A 22 7.321 2.753 -1.996 1.00 0.00 H new ATOM 0 HA SER A 22 7.076 5.453 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.221 4.042 0.122 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.850 3.538 -0.280 1.00 0.00 H new ATOM 0 HG SER A 22 9.366 5.156 1.015 1.00 0.00 H new ATOM 133 N PRO A 23 9.085 6.756 -2.614 1.00 0.00 N ATOM 134 CA PRO A 23 10.200 7.529 -3.182 1.00 0.00 C ATOM 135 C PRO A 23 11.523 7.284 -2.471 1.00 0.00 C ATOM 136 O PRO A 23 12.576 7.245 -3.106 1.00 0.00 O ATOM 137 CB PRO A 23 9.756 8.980 -2.992 1.00 0.00 C ATOM 138 CG PRO A 23 8.270 8.920 -2.994 1.00 0.00 C ATOM 139 CD PRO A 23 7.912 7.613 -2.342 1.00 0.00 C ATOM 0 HA PRO A 23 10.390 7.251 -4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.135 9.391 -2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.128 9.617 -3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.844 9.760 -2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.878 8.971 -4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.742 7.732 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.000 7.191 -2.765 1.00 0.00 H new ATOM 147 N ASP A 24 11.469 7.130 -1.151 1.00 0.00 N ATOM 148 CA ASP A 24 12.674 6.885 -0.366 1.00 0.00 C ATOM 149 C ASP A 24 13.385 5.632 -0.866 1.00 0.00 C ATOM 150 O ASP A 24 14.603 5.502 -0.741 1.00 0.00 O ATOM 151 CB ASP A 24 12.325 6.736 1.117 1.00 0.00 C ATOM 152 CG ASP A 24 11.636 7.966 1.675 1.00 0.00 C ATOM 153 OD1 ASP A 24 10.389 8.024 1.622 1.00 0.00 O ATOM 154 OD2 ASP A 24 12.344 8.871 2.167 1.00 0.00 O ATOM 0 H ASP A 24 10.608 7.170 -0.605 1.00 0.00 H new ATOM 0 HA ASP A 24 13.342 7.738 -0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.678 5.869 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.236 6.544 1.684 1.00 0.00 H new ATOM 159 N GLY A 25 12.607 4.713 -1.432 1.00 0.00 N ATOM 160 CA GLY A 25 13.163 3.479 -1.953 1.00 0.00 C ATOM 161 C GLY A 25 12.567 2.265 -1.277 1.00 0.00 C ATOM 162 O GLY A 25 13.259 1.274 -1.036 1.00 0.00 O ATOM 0 H GLY A 25 11.597 4.803 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.981 3.423 -3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.244 3.479 -1.812 1.00 0.00 H new ATOM 166 N ARG A 26 11.274 2.342 -0.980 1.00 0.00 N ATOM 167 CA ARG A 26 10.575 1.251 -0.307 1.00 0.00 C ATOM 168 C ARG A 26 9.323 0.851 -1.078 1.00 0.00 C ATOM 169 O ARG A 26 8.903 1.551 -1.995 1.00 0.00 O ATOM 170 CB ARG A 26 10.186 1.665 1.115 1.00 0.00 C ATOM 171 CG ARG A 26 11.169 2.616 1.779 1.00 0.00 C ATOM 172 CD ARG A 26 12.518 1.957 2.023 1.00 0.00 C ATOM 173 NE ARG A 26 12.410 0.788 2.890 1.00 0.00 N ATOM 174 CZ ARG A 26 13.437 0.260 3.548 1.00 0.00 C ATOM 175 NH1 ARG A 26 14.645 0.797 3.444 1.00 0.00 N ATOM 176 NH2 ARG A 26 13.257 -0.810 4.313 1.00 0.00 N ATOM 0 H ARG A 26 10.688 3.149 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 26 11.250 0.397 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.204 2.137 1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.093 0.769 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.303 3.496 1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.757 2.961 2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.954 1.661 1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.198 2.680 2.473 1.00 0.00 H new ATOM 0 HE ARG A 26 11.494 0.351 2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.789 1.619 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.430 0.388 3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.330 -1.227 4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.046 -1.215 4.818 1.00 0.00 H new ATOM 190 N THR A 27 8.746 -0.291 -0.720 1.00 0.00 N ATOM 191 CA THR A 27 7.530 -0.770 -1.368 1.00 0.00 C ATOM 192 C THR A 27 6.329 -0.592 -0.443 1.00 0.00 C ATOM 193 O THR A 27 6.154 -1.350 0.512 1.00 0.00 O ATOM 194 CB THR A 27 7.649 -2.254 -1.764 1.00 0.00 C ATOM 195 OG1 THR A 27 8.784 -2.443 -2.617 1.00 0.00 O ATOM 196 CG2 THR A 27 6.390 -2.730 -2.474 1.00 0.00 C ATOM 0 H THR A 27 9.101 -0.902 0.015 1.00 0.00 H new ATOM 0 HA THR A 27 7.389 -0.179 -2.273 1.00 0.00 H new ATOM 0 HB THR A 27 7.776 -2.840 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.854 -3.389 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.499 -3.781 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.532 -2.612 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.235 -2.138 -3.376 1.00 0.00 H new ATOM 204 N TYR A 28 5.500 0.412 -0.729 1.00 0.00 N ATOM 205 CA TYR A 28 4.326 0.684 0.094 1.00 0.00 C ATOM 206 C TYR A 28 3.032 0.387 -0.660 1.00 0.00 C ATOM 207 O TYR A 28 3.019 0.300 -1.888 1.00 0.00 O ATOM 208 CB TYR A 28 4.340 2.142 0.578 1.00 0.00 C ATOM 209 CG TYR A 28 3.735 3.136 -0.395 1.00 0.00 C ATOM 210 CD1 TYR A 28 4.508 3.734 -1.383 1.00 0.00 C ATOM 211 CD2 TYR A 28 2.390 3.484 -0.314 1.00 0.00 C ATOM 212 CE1 TYR A 28 3.959 4.646 -2.265 1.00 0.00 C ATOM 213 CE2 TYR A 28 1.834 4.397 -1.192 1.00 0.00 C ATOM 214 CZ TYR A 28 2.621 4.975 -2.164 1.00 0.00 C ATOM 215 OH TYR A 28 2.071 5.885 -3.041 1.00 0.00 O ATOM 0 H TYR A 28 5.620 1.046 -1.519 1.00 0.00 H new ATOM 0 HA TYR A 28 4.366 0.022 0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.799 2.203 1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.370 2.434 0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.555 3.482 -1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.770 3.034 0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.573 5.099 -3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.788 4.655 -1.116 1.00 0.00 H new ATOM 0 HH TYR A 28 1.514 6.521 -2.546 1.00 0.00 H new ATOM 225 N TYR A 29 1.947 0.231 0.093 1.00 0.00 N ATOM 226 CA TYR A 29 0.639 -0.051 -0.487 1.00 0.00 C ATOM 227 C TYR A 29 -0.416 0.897 0.070 1.00 0.00 C ATOM 228 O TYR A 29 -0.334 1.321 1.222 1.00 0.00 O ATOM 229 CB TYR A 29 0.231 -1.499 -0.204 1.00 0.00 C ATOM 230 CG TYR A 29 1.089 -2.529 -0.905 1.00 0.00 C ATOM 231 CD1 TYR A 29 2.354 -2.849 -0.428 1.00 0.00 C ATOM 232 CD2 TYR A 29 0.632 -3.181 -2.041 1.00 0.00 C ATOM 233 CE1 TYR A 29 3.138 -3.793 -1.065 1.00 0.00 C ATOM 234 CE2 TYR A 29 1.410 -4.126 -2.685 1.00 0.00 C ATOM 235 CZ TYR A 29 2.660 -4.428 -2.192 1.00 0.00 C ATOM 236 OH TYR A 29 3.438 -5.368 -2.829 1.00 0.00 O ATOM 0 H TYR A 29 1.949 0.296 1.111 1.00 0.00 H new ATOM 0 HA TYR A 29 0.709 0.097 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.276 -1.675 0.871 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.807 -1.639 -0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.731 -2.353 0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.348 -2.947 -2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.119 -4.032 -0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.040 -4.624 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 29 3.363 -5.252 -3.799 1.00 0.00 H new ATOM 246 N TYR A 30 -1.404 1.229 -0.755 1.00 0.00 N ATOM 247 CA TYR A 30 -2.479 2.124 -0.337 1.00 0.00 C ATOM 248 C TYR A 30 -3.831 1.423 -0.440 1.00 0.00 C ATOM 249 O TYR A 30 -4.217 0.946 -1.509 1.00 0.00 O ATOM 250 CB TYR A 30 -2.471 3.401 -1.189 1.00 0.00 C ATOM 251 CG TYR A 30 -3.676 4.300 -0.982 1.00 0.00 C ATOM 252 CD1 TYR A 30 -4.849 4.093 -1.695 1.00 0.00 C ATOM 253 CD2 TYR A 30 -3.636 5.358 -0.079 1.00 0.00 C ATOM 254 CE1 TYR A 30 -5.950 4.909 -1.517 1.00 0.00 C ATOM 255 CE2 TYR A 30 -4.733 6.180 0.105 1.00 0.00 C ATOM 256 CZ TYR A 30 -5.887 5.952 -0.616 1.00 0.00 C ATOM 257 OH TYR A 30 -6.978 6.770 -0.435 1.00 0.00 O ATOM 0 H TYR A 30 -1.483 0.893 -1.715 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.314 2.400 0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.567 3.968 -0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.418 3.121 -2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.902 3.279 -2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.734 5.540 0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.854 4.731 -2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.686 6.997 0.810 1.00 0.00 H new ATOM 0 HH TYR A 30 -6.767 7.453 0.235 1.00 0.00 H new ATOM 267 N ASN A 31 -4.544 1.360 0.681 1.00 0.00 N ATOM 268 CA ASN A 31 -5.853 0.720 0.722 1.00 0.00 C ATOM 269 C ASN A 31 -6.924 1.648 0.158 1.00 0.00 C ATOM 270 O ASN A 31 -7.215 2.697 0.733 1.00 0.00 O ATOM 271 CB ASN A 31 -6.205 0.329 2.159 1.00 0.00 C ATOM 272 CG ASN A 31 -7.477 -0.491 2.242 1.00 0.00 C ATOM 273 OD1 ASN A 31 -8.563 0.047 2.447 1.00 0.00 O ATOM 274 ND2 ASN A 31 -7.348 -1.801 2.081 1.00 0.00 N ATOM 0 H ASN A 31 -4.236 1.745 1.574 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.814 -0.179 0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.381 -0.240 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.318 1.231 2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.170 -2.404 2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.427 -2.206 1.913 1.00 0.00 H new ATOM 281 N THR A 32 -7.506 1.253 -0.971 1.00 0.00 N ATOM 282 CA THR A 32 -8.539 2.053 -1.619 1.00 0.00 C ATOM 283 C THR A 32 -9.936 1.638 -1.157 1.00 0.00 C ATOM 284 O THR A 32 -10.941 2.106 -1.693 1.00 0.00 O ATOM 285 CB THR A 32 -8.449 1.944 -3.155 1.00 0.00 C ATOM 286 OG1 THR A 32 -9.481 2.730 -3.766 1.00 0.00 O ATOM 287 CG2 THR A 32 -8.573 0.497 -3.607 1.00 0.00 C ATOM 0 H THR A 32 -7.280 0.384 -1.455 1.00 0.00 H new ATOM 0 HA THR A 32 -8.368 3.090 -1.329 1.00 0.00 H new ATOM 0 HB THR A 32 -7.474 2.321 -3.464 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.299 2.669 -3.230 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.506 0.448 -4.694 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.768 -0.092 -3.167 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.534 0.096 -3.284 1.00 0.00 H new ATOM 295 N GLU A 33 -9.989 0.761 -0.159 1.00 0.00 N ATOM 296 CA GLU A 33 -11.261 0.293 0.383 1.00 0.00 C ATOM 297 C GLU A 33 -11.692 1.173 1.551 1.00 0.00 C ATOM 298 O GLU A 33 -12.884 1.375 1.789 1.00 0.00 O ATOM 299 CB GLU A 33 -11.142 -1.162 0.843 1.00 0.00 C ATOM 300 CG GLU A 33 -12.447 -1.750 1.355 1.00 0.00 C ATOM 301 CD GLU A 33 -13.519 -1.808 0.285 1.00 0.00 C ATOM 302 OE1 GLU A 33 -13.587 -2.828 -0.432 1.00 0.00 O ATOM 303 OE2 GLU A 33 -14.291 -0.833 0.163 1.00 0.00 O ATOM 0 H GLU A 33 -9.166 0.360 0.291 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.014 0.353 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.782 -1.768 0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.392 -1.224 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.264 -2.755 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.807 -1.152 2.193 1.00 0.00 H new ATOM 310 N THR A 34 -10.705 1.691 2.271 1.00 0.00 N ATOM 311 CA THR A 34 -10.951 2.557 3.416 1.00 0.00 C ATOM 312 C THR A 34 -10.294 3.915 3.196 1.00 0.00 C ATOM 313 O THR A 34 -10.574 4.883 3.906 1.00 0.00 O ATOM 314 CB THR A 34 -10.404 1.929 4.713 1.00 0.00 C ATOM 315 OG1 THR A 34 -10.972 0.628 4.906 1.00 0.00 O ATOM 316 CG2 THR A 34 -10.713 2.800 5.923 1.00 0.00 C ATOM 0 H THR A 34 -9.717 1.524 2.079 1.00 0.00 H new ATOM 0 HA THR A 34 -12.029 2.683 3.516 1.00 0.00 H new ATOM 0 HB THR A 34 -9.322 1.848 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.618 0.236 5.731 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.314 2.329 6.822 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.254 3.780 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 34 -11.792 2.915 6.022 1.00 0.00 H new ATOM 324 N LYS A 35 -9.416 3.964 2.193 1.00 0.00 N ATOM 325 CA LYS A 35 -8.695 5.183 1.835 1.00 0.00 C ATOM 326 C LYS A 35 -7.639 5.513 2.878 1.00 0.00 C ATOM 327 O LYS A 35 -7.691 6.556 3.530 1.00 0.00 O ATOM 328 CB LYS A 35 -9.657 6.361 1.655 1.00 0.00 C ATOM 329 CG LYS A 35 -10.800 6.068 0.696 1.00 0.00 C ATOM 330 CD LYS A 35 -11.704 7.278 0.510 1.00 0.00 C ATOM 331 CE LYS A 35 -12.413 7.655 1.801 1.00 0.00 C ATOM 332 NZ LYS A 35 -13.294 6.560 2.292 1.00 0.00 N ATOM 0 H LYS A 35 -9.186 3.161 1.608 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.195 5.005 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.069 6.635 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.099 7.223 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.396 5.764 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.386 5.231 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.112 8.124 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.443 7.065 -0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.673 7.895 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.008 8.554 1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.932 6.930 3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.856 6.186 1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.710 5.798 2.693 1.00 0.00 H new ATOM 346 N GLN A 36 -6.677 4.612 3.023 1.00 0.00 N ATOM 347 CA GLN A 36 -5.596 4.790 3.981 1.00 0.00 C ATOM 348 C GLN A 36 -4.283 4.272 3.408 1.00 0.00 C ATOM 349 O GLN A 36 -4.273 3.503 2.447 1.00 0.00 O ATOM 350 CB GLN A 36 -5.919 4.057 5.282 1.00 0.00 C ATOM 351 CG GLN A 36 -6.202 2.577 5.089 1.00 0.00 C ATOM 352 CD GLN A 36 -6.510 1.870 6.394 1.00 0.00 C ATOM 353 OE1 GLN A 36 -6.001 2.244 7.450 1.00 0.00 O ATOM 354 NE2 GLN A 36 -7.348 0.842 6.328 1.00 0.00 N ATOM 0 H GLN A 36 -6.624 3.746 2.486 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.492 5.855 4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.083 4.172 5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.785 4.527 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.044 2.457 4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.340 2.104 4.618 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.747 0.566 5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.593 0.328 7.175 1.00 0.00 H new ATOM 363 N SER A 37 -3.177 4.700 4.003 1.00 0.00 N ATOM 364 CA SER A 37 -1.856 4.278 3.556 1.00 0.00 C ATOM 365 C SER A 37 -1.269 3.257 4.523 1.00 0.00 C ATOM 366 O SER A 37 -1.384 3.405 5.740 1.00 0.00 O ATOM 367 CB SER A 37 -0.930 5.489 3.438 1.00 0.00 C ATOM 368 OG SER A 37 -1.521 6.507 2.650 1.00 0.00 O ATOM 0 H SER A 37 -3.169 5.340 4.797 1.00 0.00 H new ATOM 0 HA SER A 37 -1.951 3.811 2.576 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.706 5.878 4.431 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.018 5.184 2.994 1.00 0.00 H new ATOM 0 HG SER A 37 -0.911 6.754 1.924 1.00 0.00 H new ATOM 374 N THR A 38 -0.639 2.221 3.977 1.00 0.00 N ATOM 375 CA THR A 38 -0.051 1.171 4.800 1.00 0.00 C ATOM 376 C THR A 38 1.302 0.715 4.258 1.00 0.00 C ATOM 377 O THR A 38 1.583 0.844 3.065 1.00 0.00 O ATOM 378 CB THR A 38 -0.993 -0.044 4.898 1.00 0.00 C ATOM 379 OG1 THR A 38 -0.492 -0.975 5.864 1.00 0.00 O ATOM 380 CG2 THR A 38 -1.130 -0.734 3.549 1.00 0.00 C ATOM 0 H THR A 38 -0.523 2.087 2.973 1.00 0.00 H new ATOM 0 HA THR A 38 0.098 1.597 5.792 1.00 0.00 H new ATOM 0 HB THR A 38 -1.975 0.311 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.097 -1.744 5.922 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.800 -1.589 3.644 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.538 -0.032 2.821 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.151 -1.076 3.214 1.00 0.00 H new ATOM 388 N TRP A 39 2.132 0.175 5.148 1.00 0.00 N ATOM 389 CA TRP A 39 3.458 -0.312 4.776 1.00 0.00 C ATOM 390 C TRP A 39 3.482 -1.832 4.719 1.00 0.00 C ATOM 391 O TRP A 39 2.850 -2.504 5.535 1.00 0.00 O ATOM 392 CB TRP A 39 4.512 0.164 5.782 1.00 0.00 C ATOM 393 CG TRP A 39 4.940 1.587 5.607 1.00 0.00 C ATOM 394 CD1 TRP A 39 4.621 2.648 6.404 1.00 0.00 C ATOM 395 CD2 TRP A 39 5.792 2.098 4.580 1.00 0.00 C ATOM 396 NE1 TRP A 39 5.217 3.792 5.928 1.00 0.00 N ATOM 397 CE2 TRP A 39 5.944 3.478 4.807 1.00 0.00 C ATOM 398 CE3 TRP A 39 6.439 1.518 3.484 1.00 0.00 C ATOM 399 CZ2 TRP A 39 6.718 4.286 3.979 1.00 0.00 C ATOM 400 CZ3 TRP A 39 7.209 2.321 2.665 1.00 0.00 C ATOM 401 CH2 TRP A 39 7.342 3.690 2.916 1.00 0.00 C ATOM 0 H TRP A 39 1.908 0.063 6.137 1.00 0.00 H new ATOM 0 HA TRP A 39 3.689 0.089 3.789 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.117 0.038 6.790 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.389 -0.478 5.701 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.992 2.597 7.281 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.133 4.721 6.340 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.338 0.462 3.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.822 5.344 4.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.716 1.884 1.817 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.951 4.291 2.257 1.00 0.00 H new ATOM 412 N GLU A 40 4.222 -2.363 3.750 1.00 0.00 N ATOM 413 CA GLU A 40 4.355 -3.804 3.574 1.00 0.00 C ATOM 414 C GLU A 40 3.014 -4.459 3.248 1.00 0.00 C ATOM 415 O GLU A 40 1.958 -4.011 3.698 1.00 0.00 O ATOM 416 CB GLU A 40 4.952 -4.439 4.832 1.00 0.00 C ATOM 417 CG GLU A 40 5.322 -5.904 4.661 1.00 0.00 C ATOM 418 CD GLU A 40 6.394 -6.115 3.609 1.00 0.00 C ATOM 419 OE1 GLU A 40 7.590 -6.065 3.964 1.00 0.00 O ATOM 420 OE2 GLU A 40 6.038 -6.327 2.431 1.00 0.00 O ATOM 0 H GLU A 40 4.743 -1.810 3.069 1.00 0.00 H new ATOM 0 HA GLU A 40 5.025 -3.971 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.842 -3.880 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.236 -4.347 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.671 -6.301 5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.432 -6.470 4.386 1.00 0.00 H new ATOM 427 N LYS A 41 3.076 -5.517 2.451 1.00 0.00 N ATOM 428 CA LYS A 41 1.884 -6.263 2.051 1.00 0.00 C ATOM 429 C LYS A 41 1.040 -6.633 3.273 1.00 0.00 C ATOM 430 O LYS A 41 1.566 -7.139 4.265 1.00 0.00 O ATOM 431 CB LYS A 41 2.288 -7.534 1.300 1.00 0.00 C ATOM 432 CG LYS A 41 3.098 -7.268 0.040 1.00 0.00 C ATOM 433 CD LYS A 41 3.631 -8.559 -0.565 1.00 0.00 C ATOM 434 CE LYS A 41 4.687 -9.201 0.322 1.00 0.00 C ATOM 435 NZ LYS A 41 5.260 -10.431 -0.291 1.00 0.00 N ATOM 0 H LYS A 41 3.946 -5.883 2.064 1.00 0.00 H new ATOM 0 HA LYS A 41 1.288 -5.629 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.869 -8.171 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.389 -8.089 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.476 -6.752 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.930 -6.605 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.808 -9.258 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.057 -8.352 -1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.486 -8.484 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.247 -9.449 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.975 -10.836 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.502 -11.126 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.703 -10.191 -1.201 1.00 0.00 H new ATOM 449 N PRO A 42 -0.285 -6.390 3.217 1.00 0.00 N ATOM 450 CA PRO A 42 -1.190 -6.697 4.327 1.00 0.00 C ATOM 451 C PRO A 42 -1.588 -8.168 4.376 1.00 0.00 C ATOM 452 O PRO A 42 -1.677 -8.757 5.454 1.00 0.00 O ATOM 453 CB PRO A 42 -2.405 -5.828 4.023 1.00 0.00 C ATOM 454 CG PRO A 42 -2.439 -5.739 2.535 1.00 0.00 C ATOM 455 CD PRO A 42 -1.006 -5.793 2.072 1.00 0.00 C ATOM 0 HA PRO A 42 -0.729 -6.503 5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.319 -6.274 4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.311 -4.842 4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.016 -6.561 2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.917 -4.814 2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.899 -6.399 1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.625 -4.800 1.834 1.00 0.00 H new TER 463 PRO A 42 ATOM 464 N PRO B 5 -2.466 10.045 -7.585 1.00 0.00 N ATOM 465 CA PRO B 5 -1.627 9.057 -6.907 1.00 0.00 C ATOM 466 C PRO B 5 -1.907 9.006 -5.406 1.00 0.00 C ATOM 467 O PRO B 5 -2.261 10.018 -4.802 1.00 0.00 O ATOM 468 CB PRO B 5 -0.192 9.549 -7.161 1.00 0.00 C ATOM 469 CG PRO B 5 -0.313 10.720 -8.088 1.00 0.00 C ATOM 470 CD PRO B 5 -1.705 11.254 -7.915 1.00 0.00 C ATOM 0 HA PRO B 5 -1.812 8.049 -7.278 1.00 0.00 H new ATOM 0 HB2 PRO B 5 0.292 9.839 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO B 5 0.417 8.762 -7.605 1.00 0.00 H new ATOM 0 HG2 PRO B 5 0.428 11.483 -7.849 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -0.138 10.418 -9.121 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -1.759 11.998 -7.120 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -2.073 11.731 -8.823 1.00 0.00 H new ATOM 478 N PRO B 6 -1.747 7.822 -4.780 1.00 0.00 N ATOM 479 CA PRO B 6 -1.995 7.649 -3.346 1.00 0.00 C ATOM 480 C PRO B 6 -0.852 8.175 -2.480 1.00 0.00 C ATOM 481 O PRO B 6 0.311 8.134 -2.887 1.00 0.00 O ATOM 482 CB PRO B 6 -2.114 6.137 -3.203 1.00 0.00 C ATOM 483 CG PRO B 6 -1.228 5.592 -4.267 1.00 0.00 C ATOM 484 CD PRO B 6 -1.316 6.560 -5.417 1.00 0.00 C ATOM 0 HA PRO B 6 -2.873 8.203 -3.014 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -1.797 5.806 -2.214 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -3.144 5.805 -3.335 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -0.202 5.501 -3.911 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -1.550 4.596 -4.570 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -0.356 6.673 -5.920 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -2.032 6.226 -6.168 1.00 0.00 H new ATOM 492 N PRO B 7 -1.164 8.666 -1.263 1.00 0.00 N ATOM 493 CA PRO B 7 -0.163 9.200 -0.344 1.00 0.00 C ATOM 494 C PRO B 7 0.604 8.093 0.366 1.00 0.00 C ATOM 495 O PRO B 7 0.064 7.016 0.619 1.00 0.00 O ATOM 496 CB PRO B 7 -0.982 10.013 0.673 1.00 0.00 C ATOM 497 CG PRO B 7 -2.410 9.924 0.227 1.00 0.00 C ATOM 498 CD PRO B 7 -2.507 8.729 -0.676 1.00 0.00 C ATOM 0 HA PRO B 7 0.587 9.793 -0.867 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -0.863 9.611 1.679 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -0.647 11.050 0.702 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -3.077 9.817 1.083 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -2.708 10.831 -0.298 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -2.752 7.822 -0.124 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -3.277 8.856 -1.437 1.00 0.00 H new ATOM 506 N LEU B 8 1.865 8.361 0.681 1.00 0.00 N ATOM 507 CA LEU B 8 2.700 7.381 1.362 1.00 0.00 C ATOM 508 C LEU B 8 2.376 7.339 2.860 1.00 0.00 C ATOM 509 O LEU B 8 2.041 8.365 3.454 1.00 0.00 O ATOM 510 CB LEU B 8 4.171 7.755 1.145 1.00 0.00 C ATOM 511 CG LEU B 8 5.196 6.952 1.940 1.00 0.00 C ATOM 512 CD1 LEU B 8 5.546 5.681 1.198 1.00 0.00 C ATOM 513 CD2 LEU B 8 6.442 7.787 2.193 1.00 0.00 C ATOM 0 H LEU B 8 2.330 9.245 0.477 1.00 0.00 H new ATOM 0 HA LEU B 8 2.505 6.390 0.952 1.00 0.00 H new ATOM 0 HB2 LEU B 8 4.399 7.646 0.085 1.00 0.00 H new ATOM 0 HB3 LEU B 8 4.296 8.809 1.392 1.00 0.00 H new ATOM 0 HG LEU B 8 4.764 6.684 2.904 1.00 0.00 H new ATOM 0 HD11 LEU B 8 6.278 5.114 1.773 1.00 0.00 H new ATOM 0 HD12 LEU B 8 4.647 5.080 1.062 1.00 0.00 H new ATOM 0 HD13 LEU B 8 5.965 5.932 0.224 1.00 0.00 H new ATOM 0 HD21 LEU B 8 7.164 7.200 2.761 1.00 0.00 H new ATOM 0 HD22 LEU B 8 6.883 8.081 1.240 1.00 0.00 H new ATOM 0 HD23 LEU B 8 6.173 8.679 2.759 1.00 0.00 H new ATOM 525 N PRO B 9 2.472 6.151 3.494 1.00 0.00 N ATOM 526 CA PRO B 9 2.218 5.987 4.923 1.00 0.00 C ATOM 527 C PRO B 9 3.415 6.427 5.763 1.00 0.00 C ATOM 528 O PRO B 9 4.556 6.326 5.315 1.00 0.00 O ATOM 529 CB PRO B 9 1.964 4.482 5.095 1.00 0.00 C ATOM 530 CG PRO B 9 2.066 3.880 3.727 1.00 0.00 C ATOM 531 CD PRO B 9 2.810 4.866 2.876 1.00 0.00 C ATOM 0 HA PRO B 9 1.381 6.599 5.257 1.00 0.00 H new ATOM 0 HB2 PRO B 9 2.696 4.039 5.770 1.00 0.00 H new ATOM 0 HB3 PRO B 9 0.980 4.301 5.527 1.00 0.00 H new ATOM 0 HG2 PRO B 9 2.591 2.926 3.762 1.00 0.00 H new ATOM 0 HG3 PRO B 9 1.076 3.684 3.316 1.00 0.00 H new ATOM 0 HD2 PRO B 9 3.884 4.681 2.889 1.00 0.00 H new ATOM 0 HD3 PRO B 9 2.492 4.822 1.834 1.00 0.00 H new ATOM 539 N PRO B 10 3.179 6.928 6.988 1.00 0.00 N ATOM 540 CA PRO B 10 4.261 7.364 7.874 1.00 0.00 C ATOM 541 C PRO B 10 5.105 6.191 8.367 1.00 0.00 C ATOM 542 O PRO B 10 6.088 5.844 7.678 1.00 0.00 O ATOM 543 CB PRO B 10 3.534 8.035 9.052 1.00 0.00 C ATOM 544 CG PRO B 10 2.123 8.217 8.599 1.00 0.00 C ATOM 545 CD PRO B 10 1.861 7.124 7.607 1.00 0.00 C ATOM 546 OXT PRO B 10 4.776 5.629 9.432 1.00 0.00 O ATOM 0 HA PRO B 10 4.957 8.029 7.363 1.00 0.00 H new ATOM 0 HB2 PRO B 10 3.582 7.415 9.947 1.00 0.00 H new ATOM 0 HB3 PRO B 10 3.992 8.992 9.302 1.00 0.00 H new ATOM 0 HG2 PRO B 10 1.432 8.154 9.440 1.00 0.00 H new ATOM 0 HG3 PRO B 10 1.983 9.198 8.144 1.00 0.00 H new ATOM 0 HD2 PRO B 10 1.502 6.216 8.091 1.00 0.00 H new ATOM 0 HD3 PRO B 10 1.108 7.414 6.874 1.00 0.00 H new TER 554 PRO B 10