USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 263 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= -0.115 (180deg=-0.565) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0823 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00195 USER MOD Single : A 10 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.48) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.107 (180deg=-0.503) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.018 (180deg=-0.203) USER MOD Single : A 18 GLN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 19 THR OG1 : rot 7:sc= 0.773 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 39:sc= 0.0354 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -125:sc= 0 (180deg=-0.00834) USER MOD Single : A 28 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.035) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -0.0144 (180deg=-0.517) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.754 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.979 0.616 -1.866 1.00 54.50 N ATOM 2 CA GLY A 1 2.583 0.634 -1.473 1.00 52.54 C ATOM 3 C GLY A 1 1.681 -0.013 -2.506 1.00 24.32 C ATOM 4 O GLY A 1 1.571 -1.238 -2.563 1.00 14.00 O ATOM 0 H1 GLY A 1 4.554 1.069 -1.127 1.00 54.50 H new ATOM 0 H2 GLY A 1 4.291 -0.368 -1.992 1.00 54.50 H new ATOM 0 H3 GLY A 1 4.094 1.133 -2.761 1.00 54.50 H new ATOM 0 HA2 GLY A 1 2.470 0.115 -0.521 1.00 52.54 H new ATOM 0 HA3 GLY A 1 2.267 1.665 -1.314 1.00 52.54 H new ATOM 8 N ASP A 2 1.034 0.810 -3.324 1.00 62.10 N ATOM 9 CA ASP A 2 0.137 0.311 -4.359 1.00 71.35 C ATOM 10 C ASP A 2 0.914 -0.060 -5.619 1.00 35.32 C ATOM 11 O ASP A 2 1.898 0.594 -5.968 1.00 65.54 O ATOM 12 CB ASP A 2 -0.927 1.358 -4.691 1.00 63.04 C ATOM 13 CG ASP A 2 -1.801 1.694 -3.499 1.00 61.13 C ATOM 14 OD1 ASP A 2 -1.822 2.874 -3.092 1.00 34.22 O ATOM 15 OD2 ASP A 2 -2.464 0.775 -2.973 1.00 0.23 O1- ATOM 0 H ASP A 2 1.114 1.826 -3.290 1.00 62.10 H new ATOM 0 HA ASP A 2 -0.353 -0.585 -3.979 1.00 71.35 H new ATOM 0 HB2 ASP A 2 -0.440 2.266 -5.048 1.00 63.04 H new ATOM 0 HB3 ASP A 2 -1.553 0.991 -5.504 1.00 63.04 H new ATOM 20 N ILE A 3 0.468 -1.112 -6.295 1.00 65.02 N ATOM 21 CA ILE A 3 1.121 -1.570 -7.515 1.00 62.21 C ATOM 22 C ILE A 3 0.681 -0.742 -8.718 1.00 1.00 C ATOM 23 O ILE A 3 -0.510 -0.645 -9.016 1.00 25.10 O ATOM 24 CB ILE A 3 0.824 -3.055 -7.791 1.00 4.52 C ATOM 25 CG1 ILE A 3 1.245 -3.913 -6.596 1.00 45.41 C ATOM 26 CG2 ILE A 3 1.535 -3.512 -9.055 1.00 31.14 C ATOM 27 CD1 ILE A 3 0.163 -4.061 -5.548 1.00 33.10 C ATOM 0 H ILE A 3 -0.344 -1.664 -6.019 1.00 65.02 H new ATOM 0 HA ILE A 3 2.193 -1.446 -7.364 1.00 62.21 H new ATOM 0 HB ILE A 3 -0.249 -3.174 -7.939 1.00 4.52 H new ATOM 0 HG12 ILE A 3 1.532 -4.902 -6.952 1.00 45.41 H new ATOM 0 HG13 ILE A 3 2.128 -3.471 -6.135 1.00 45.41 H new ATOM 0 HG21 ILE A 3 1.315 -4.564 -9.236 1.00 31.14 H new ATOM 0 HG22 ILE A 3 1.190 -2.918 -9.901 1.00 31.14 H new ATOM 0 HG23 ILE A 3 2.611 -3.382 -8.935 1.00 31.14 H new ATOM 0 HD11 ILE A 3 0.531 -4.681 -4.731 1.00 33.10 H new ATOM 0 HD12 ILE A 3 -0.108 -3.078 -5.164 1.00 33.10 H new ATOM 0 HD13 ILE A 3 -0.714 -4.531 -5.994 1.00 33.10 H new ATOM 39 N LYS A 4 1.649 -0.149 -9.408 1.00 42.23 N ATOM 40 CA LYS A 4 1.363 0.669 -10.580 1.00 60.33 C ATOM 41 C LYS A 4 0.912 -0.199 -11.751 1.00 34.13 C ATOM 42 O LYS A 4 1.486 -1.257 -12.009 1.00 0.02 O ATOM 43 CB LYS A 4 2.599 1.478 -10.978 1.00 0.52 C ATOM 44 CG LYS A 4 2.373 2.389 -12.171 1.00 53.23 C ATOM 45 CD LYS A 4 3.686 2.827 -12.796 1.00 21.10 C ATOM 46 CE LYS A 4 3.483 3.359 -14.207 1.00 14.23 C ATOM 47 NZ LYS A 4 2.972 2.306 -15.129 1.00 54.30 N1+ ATOM 0 H LYS A 4 2.640 -0.220 -9.175 1.00 42.23 H new ATOM 0 HA LYS A 4 0.555 1.355 -10.325 1.00 60.33 H new ATOM 0 HB2 LYS A 4 2.918 2.080 -10.127 1.00 0.52 H new ATOM 0 HB3 LYS A 4 3.414 0.791 -11.206 1.00 0.52 H new ATOM 0 HG2 LYS A 4 1.770 1.871 -12.916 1.00 53.23 H new ATOM 0 HG3 LYS A 4 1.808 3.267 -11.858 1.00 53.23 H new ATOM 0 HD2 LYS A 4 4.145 3.599 -12.178 1.00 21.10 H new ATOM 0 HD3 LYS A 4 4.378 1.985 -12.820 1.00 21.10 H new ATOM 0 HE2 LYS A 4 2.781 4.193 -14.183 1.00 14.23 H new ATOM 0 HE3 LYS A 4 4.427 3.748 -14.588 1.00 14.23 H new ATOM 0 HZ1 LYS A 4 3.222 2.551 -16.108 1.00 54.30 H new ATOM 0 HZ2 LYS A 4 3.399 1.391 -14.881 1.00 54.30 H new ATOM 0 HZ3 LYS A 4 1.938 2.240 -15.042 1.00 54.30 H new ATOM 61 N CYS A 5 -0.117 0.256 -12.457 1.00 10.41 N ATOM 62 CA CYS A 5 -0.644 -0.477 -13.601 1.00 21.11 C ATOM 63 C CYS A 5 -1.573 0.404 -14.431 1.00 1.33 C ATOM 64 O CYS A 5 -1.768 1.580 -14.126 1.00 73.11 O ATOM 65 CB CYS A 5 -1.392 -1.726 -13.132 1.00 60.55 C ATOM 66 SG CYS A 5 -2.691 -1.395 -11.898 1.00 4.21 S ATOM 0 H CYS A 5 -0.603 1.130 -12.257 1.00 10.41 H new ATOM 0 HA CYS A 5 0.197 -0.778 -14.226 1.00 21.11 H new ATOM 0 HB2 CYS A 5 -1.843 -2.213 -13.997 1.00 60.55 H new ATOM 0 HB3 CYS A 5 -0.674 -2.429 -12.709 1.00 60.55 H new ATOM 71 N SER A 6 -2.144 -0.174 -15.484 1.00 42.24 N ATOM 72 CA SER A 6 -3.050 0.559 -16.361 1.00 61.44 C ATOM 73 C SER A 6 -4.408 -0.131 -16.438 1.00 32.03 C ATOM 74 O SER A 6 -5.447 0.493 -16.227 1.00 63.32 O ATOM 75 CB SER A 6 -2.449 0.683 -17.762 1.00 50.22 C ATOM 76 OG SER A 6 -2.150 -0.591 -18.304 1.00 20.54 O ATOM 0 H SER A 6 -1.995 -1.147 -15.750 1.00 42.24 H new ATOM 0 HA SER A 6 -3.191 1.556 -15.944 1.00 61.44 H new ATOM 0 HB2 SER A 6 -3.148 1.205 -18.416 1.00 50.22 H new ATOM 0 HB3 SER A 6 -1.542 1.286 -17.720 1.00 50.22 H new ATOM 0 HG SER A 6 -1.769 -0.484 -19.200 1.00 20.54 H new ATOM 82 N GLY A 7 -4.391 -1.426 -16.742 1.00 64.14 N ATOM 83 CA GLY A 7 -5.627 -2.180 -16.842 1.00 33.31 C ATOM 84 C GLY A 7 -5.963 -2.915 -15.559 1.00 44.41 C ATOM 85 O GLY A 7 -5.282 -2.753 -14.546 1.00 64.33 O ATOM 0 H GLY A 7 -3.544 -1.965 -16.921 1.00 64.14 H new ATOM 0 HA2 GLY A 7 -6.443 -1.502 -17.093 1.00 33.31 H new ATOM 0 HA3 GLY A 7 -5.546 -2.898 -17.658 1.00 33.31 H new ATOM 89 N THR A 8 -7.017 -3.723 -15.601 1.00 13.31 N ATOM 90 CA THR A 8 -7.444 -4.483 -14.433 1.00 70.34 C ATOM 91 C THR A 8 -6.580 -5.724 -14.238 1.00 24.33 C ATOM 92 O THR A 8 -6.030 -5.944 -13.158 1.00 53.31 O ATOM 93 CB THR A 8 -8.920 -4.912 -14.551 1.00 51.14 C ATOM 94 OG1 THR A 8 -9.652 -3.945 -15.311 1.00 73.14 O ATOM 95 CG2 THR A 8 -9.550 -5.066 -13.174 1.00 22.01 C ATOM 0 H THR A 8 -7.591 -3.868 -16.432 1.00 13.31 H new ATOM 0 HA THR A 8 -7.332 -3.826 -13.570 1.00 70.34 H new ATOM 0 HB THR A 8 -8.956 -5.875 -15.060 1.00 51.14 H new ATOM 0 HG1 THR A 8 -10.588 -4.226 -15.383 1.00 73.14 H new ATOM 0 HG21 THR A 8 -10.591 -5.369 -13.282 1.00 22.01 H new ATOM 0 HG22 THR A 8 -9.008 -5.824 -12.609 1.00 22.01 H new ATOM 0 HG23 THR A 8 -9.502 -4.115 -12.644 1.00 22.01 H new ATOM 103 N ARG A 9 -6.465 -6.530 -15.288 1.00 63.03 N ATOM 104 CA ARG A 9 -5.667 -7.749 -15.230 1.00 35.22 C ATOM 105 C ARG A 9 -4.259 -7.454 -14.721 1.00 62.21 C ATOM 106 O ARG A 9 -3.720 -8.194 -13.898 1.00 12.24 O ATOM 107 CB ARG A 9 -5.595 -8.401 -16.612 1.00 50.11 C ATOM 108 CG ARG A 9 -4.752 -9.667 -16.644 1.00 54.31 C ATOM 109 CD ARG A 9 -4.590 -10.191 -18.063 1.00 31.23 C ATOM 110 NE ARG A 9 -3.374 -10.986 -18.216 1.00 53.25 N ATOM 111 CZ ARG A 9 -3.272 -12.254 -17.833 1.00 74.41 C ATOM 112 NH1 ARG A 9 -4.308 -12.867 -17.276 1.00 43.15 N1+ ATOM 113 NH2 ARG A 9 -2.132 -12.911 -18.006 1.00 42.11 N ATOM 0 H ARG A 9 -6.914 -6.361 -16.188 1.00 63.03 H new ATOM 0 HA ARG A 9 -6.149 -8.437 -14.535 1.00 35.22 H new ATOM 0 HB2 ARG A 9 -6.605 -8.638 -16.946 1.00 50.11 H new ATOM 0 HB3 ARG A 9 -5.185 -7.683 -17.322 1.00 50.11 H new ATOM 0 HG2 ARG A 9 -3.771 -9.463 -16.216 1.00 54.31 H new ATOM 0 HG3 ARG A 9 -5.218 -10.432 -16.023 1.00 54.31 H new ATOM 0 HD2 ARG A 9 -5.456 -10.798 -18.327 1.00 31.23 H new ATOM 0 HD3 ARG A 9 -4.565 -9.352 -18.759 1.00 31.23 H new ATOM 0 HE ARG A 9 -2.559 -10.543 -18.640 1.00 53.25 H new ATOM 0 HH11 ARG A 9 -5.185 -12.365 -17.141 1.00 43.15 H new ATOM 0 HH12 ARG A 9 -4.227 -13.841 -16.983 1.00 43.15 H new ATOM 0 HH21 ARG A 9 -1.333 -12.442 -18.433 1.00 42.11 H new ATOM 0 HH22 ARG A 9 -2.055 -13.885 -17.712 1.00 42.11 H new ATOM 127 N GLN A 10 -3.671 -6.370 -15.215 1.00 2.21 N ATOM 128 CA GLN A 10 -2.326 -5.978 -14.811 1.00 65.23 C ATOM 129 C GLN A 10 -2.207 -5.934 -13.291 1.00 0.55 C ATOM 130 O GLN A 10 -1.138 -6.187 -12.734 1.00 51.15 O ATOM 131 CB GLN A 10 -1.969 -4.615 -15.403 1.00 4.11 C ATOM 132 CG GLN A 10 -1.456 -4.686 -16.832 1.00 74.01 C ATOM 133 CD GLN A 10 -2.453 -5.329 -17.777 1.00 42.22 C ATOM 134 OE1 GLN A 10 -2.302 -6.489 -18.162 1.00 13.10 O ATOM 135 NE2 GLN A 10 -3.477 -4.576 -18.159 1.00 2.11 N ATOM 0 H GLN A 10 -4.105 -5.747 -15.896 1.00 2.21 H new ATOM 0 HA GLN A 10 -1.627 -6.723 -15.191 1.00 65.23 H new ATOM 0 HB2 GLN A 10 -2.850 -3.974 -15.374 1.00 4.11 H new ATOM 0 HB3 GLN A 10 -1.211 -4.144 -14.777 1.00 4.11 H new ATOM 0 HG2 GLN A 10 -1.226 -3.680 -17.182 1.00 74.01 H new ATOM 0 HG3 GLN A 10 -0.524 -5.252 -16.852 1.00 74.01 H new ATOM 0 HE21 GLN A 10 -3.563 -3.620 -17.815 1.00 2.11 H new ATOM 0 HE22 GLN A 10 -4.178 -4.954 -18.796 1.00 2.11 H new ATOM 144 N CYS A 11 -3.310 -5.610 -12.625 1.00 12.13 N ATOM 145 CA CYS A 11 -3.329 -5.530 -11.169 1.00 65.14 C ATOM 146 C CYS A 11 -3.533 -6.911 -10.552 1.00 41.34 C ATOM 147 O CYS A 11 -2.935 -7.238 -9.527 1.00 2.11 O ATOM 148 CB CYS A 11 -4.436 -4.582 -10.703 1.00 10.03 C ATOM 149 SG CYS A 11 -4.632 -4.499 -8.895 1.00 1.12 S ATOM 0 H CYS A 11 -4.203 -5.398 -13.070 1.00 12.13 H new ATOM 0 HA CYS A 11 -2.366 -5.142 -10.838 1.00 65.14 H new ATOM 0 HB2 CYS A 11 -4.226 -3.582 -11.081 1.00 10.03 H new ATOM 0 HB3 CYS A 11 -5.380 -4.898 -11.146 1.00 10.03 H new ATOM 154 N TRP A 12 -4.381 -7.715 -11.183 1.00 72.32 N ATOM 155 CA TRP A 12 -4.664 -9.060 -10.696 1.00 3.31 C ATOM 156 C TRP A 12 -3.377 -9.858 -10.522 1.00 33.15 C ATOM 157 O TRP A 12 -3.225 -10.605 -9.556 1.00 61.15 O ATOM 158 CB TRP A 12 -5.603 -9.787 -11.661 1.00 71.44 C ATOM 159 CG TRP A 12 -6.938 -9.121 -11.806 1.00 61.14 C ATOM 160 CD1 TRP A 12 -7.389 -8.031 -11.119 1.00 73.05 C ATOM 161 CD2 TRP A 12 -7.994 -9.504 -12.693 1.00 41.42 C ATOM 162 NE1 TRP A 12 -8.662 -7.713 -11.525 1.00 4.11 N ATOM 163 CE2 TRP A 12 -9.056 -8.601 -12.491 1.00 35.24 C ATOM 164 CE3 TRP A 12 -8.147 -10.520 -13.639 1.00 40.33 C ATOM 165 CZ2 TRP A 12 -10.251 -8.687 -13.199 1.00 42.32 C ATOM 166 CZ3 TRP A 12 -9.333 -10.605 -14.343 1.00 31.34 C ATOM 167 CH2 TRP A 12 -10.373 -9.692 -14.120 1.00 44.03 C ATOM 0 H TRP A 12 -4.884 -7.459 -12.032 1.00 72.32 H new ATOM 0 HA TRP A 12 -5.149 -8.973 -9.724 1.00 3.31 H new ATOM 0 HB2 TRP A 12 -5.128 -9.850 -12.640 1.00 71.44 H new ATOM 0 HB3 TRP A 12 -5.751 -10.809 -11.312 1.00 71.44 H new ATOM 0 HD1 TRP A 12 -6.827 -7.497 -10.367 1.00 73.05 H new ATOM 0 HE1 TRP A 12 -9.223 -6.941 -11.166 1.00 4.11 H new ATOM 0 HE3 TRP A 12 -7.351 -11.228 -13.817 1.00 40.33 H new ATOM 0 HZ2 TRP A 12 -11.054 -7.985 -13.028 1.00 42.32 H new ATOM 0 HZ3 TRP A 12 -9.461 -11.387 -15.077 1.00 31.34 H new ATOM 0 HH2 TRP A 12 -11.288 -9.783 -14.686 1.00 44.03 H new ATOM 178 N GLY A 13 -2.452 -9.695 -11.462 1.00 71.22 N ATOM 179 CA GLY A 13 -1.189 -10.407 -11.393 1.00 42.02 C ATOM 180 C GLY A 13 -0.517 -10.264 -10.042 1.00 40.21 C ATOM 181 O GLY A 13 -0.390 -11.226 -9.283 1.00 54.21 O ATOM 0 H GLY A 13 -2.554 -9.082 -12.271 1.00 71.22 H new ATOM 0 HA2 GLY A 13 -1.359 -11.463 -11.601 1.00 42.02 H new ATOM 0 HA3 GLY A 13 -0.521 -10.033 -12.169 1.00 42.02 H new ATOM 185 N PRO A 14 -0.070 -9.039 -9.726 1.00 4.43 N ATOM 186 CA PRO A 14 0.603 -8.746 -8.457 1.00 22.31 C ATOM 187 C PRO A 14 -0.350 -8.812 -7.268 1.00 31.34 C ATOM 188 O PRO A 14 0.068 -9.074 -6.139 1.00 32.04 O ATOM 189 CB PRO A 14 1.117 -7.317 -8.651 1.00 13.02 C ATOM 190 CG PRO A 14 0.206 -6.721 -9.668 1.00 33.44 C ATOM 191 CD PRO A 14 -0.186 -7.848 -10.583 1.00 22.03 C ATOM 0 HA PRO A 14 1.387 -9.469 -8.234 1.00 22.31 H new ATOM 0 HB2 PRO A 14 1.089 -6.756 -7.717 1.00 13.02 H new ATOM 0 HB3 PRO A 14 2.151 -7.312 -8.995 1.00 13.02 H new ATOM 0 HG2 PRO A 14 -0.671 -6.279 -9.195 1.00 33.44 H new ATOM 0 HG3 PRO A 14 0.705 -5.925 -10.221 1.00 33.44 H new ATOM 0 HD2 PRO A 14 -1.200 -7.723 -10.963 1.00 22.03 H new ATOM 0 HD3 PRO A 14 0.473 -7.910 -11.449 1.00 22.03 H new ATOM 199 N CYS A 15 -1.631 -8.574 -7.528 1.00 62.23 N ATOM 200 CA CYS A 15 -2.643 -8.607 -6.479 1.00 3.44 C ATOM 201 C CYS A 15 -2.790 -10.015 -5.909 1.00 30.12 C ATOM 202 O CYS A 15 -3.037 -10.193 -4.716 1.00 73.25 O ATOM 203 CB CYS A 15 -3.987 -8.122 -7.024 1.00 74.34 C ATOM 204 SG CYS A 15 -5.312 -8.046 -5.775 1.00 62.22 S ATOM 0 H CYS A 15 -1.993 -8.356 -8.456 1.00 62.23 H new ATOM 0 HA CYS A 15 -2.322 -7.942 -5.677 1.00 3.44 H new ATOM 0 HB2 CYS A 15 -3.855 -7.131 -7.459 1.00 74.34 H new ATOM 0 HB3 CYS A 15 -4.300 -8.785 -7.831 1.00 74.34 H new ATOM 209 N LYS A 16 -2.638 -11.015 -6.771 1.00 64.42 N ATOM 210 CA LYS A 16 -2.753 -12.408 -6.357 1.00 3.12 C ATOM 211 C LYS A 16 -1.638 -12.779 -5.383 1.00 25.42 C ATOM 212 O LYS A 16 -1.870 -13.474 -4.394 1.00 50.24 O ATOM 213 CB LYS A 16 -2.706 -13.331 -7.576 1.00 71.40 C ATOM 214 CG LYS A 16 -3.653 -14.513 -7.480 1.00 31.03 C ATOM 215 CD LYS A 16 -3.115 -15.584 -6.547 1.00 10.24 C ATOM 216 CE LYS A 16 -1.860 -16.235 -7.108 1.00 12.14 C ATOM 217 NZ LYS A 16 -2.072 -16.744 -8.492 1.00 44.01 N1+ ATOM 0 H LYS A 16 -2.435 -10.886 -7.762 1.00 64.42 H new ATOM 0 HA LYS A 16 -3.711 -12.532 -5.852 1.00 3.12 H new ATOM 0 HB2 LYS A 16 -2.948 -12.753 -8.468 1.00 71.40 H new ATOM 0 HB3 LYS A 16 -1.688 -13.701 -7.702 1.00 71.40 H new ATOM 0 HG2 LYS A 16 -4.625 -14.173 -7.123 1.00 31.03 H new ATOM 0 HG3 LYS A 16 -3.808 -14.938 -8.472 1.00 31.03 H new ATOM 0 HD2 LYS A 16 -2.894 -15.143 -5.575 1.00 10.24 H new ATOM 0 HD3 LYS A 16 -3.879 -16.344 -6.386 1.00 10.24 H new ATOM 0 HE2 LYS A 16 -1.044 -15.512 -7.108 1.00 12.14 H new ATOM 0 HE3 LYS A 16 -1.557 -17.058 -6.461 1.00 12.14 H new ATOM 0 HZ1 LYS A 16 -1.328 -17.432 -8.726 1.00 44.01 H new ATOM 0 HZ2 LYS A 16 -3.002 -17.205 -8.554 1.00 44.01 H new ATOM 0 HZ3 LYS A 16 -2.034 -15.951 -9.163 1.00 44.01 H new ATOM 231 N LYS A 17 -0.428 -12.310 -5.668 1.00 20.43 N ATOM 232 CA LYS A 17 0.722 -12.589 -4.817 1.00 52.42 C ATOM 233 C LYS A 17 0.455 -12.150 -3.381 1.00 3.52 C ATOM 234 O LYS A 17 0.630 -12.927 -2.444 1.00 41.22 O ATOM 235 CB LYS A 17 1.966 -11.879 -5.356 1.00 61.20 C ATOM 236 CG LYS A 17 3.251 -12.289 -4.658 1.00 31.15 C ATOM 237 CD LYS A 17 3.665 -13.702 -5.037 1.00 5.45 C ATOM 238 CE LYS A 17 4.994 -14.081 -4.402 1.00 32.53 C ATOM 239 NZ LYS A 17 4.958 -13.954 -2.919 1.00 63.43 N1+ ATOM 0 H LYS A 17 -0.218 -11.734 -6.483 1.00 20.43 H new ATOM 0 HA LYS A 17 0.895 -13.665 -4.823 1.00 52.42 H new ATOM 0 HB2 LYS A 17 2.059 -12.087 -6.422 1.00 61.20 H new ATOM 0 HB3 LYS A 17 1.833 -10.802 -5.251 1.00 61.20 H new ATOM 0 HG2 LYS A 17 4.047 -11.593 -4.921 1.00 31.15 H new ATOM 0 HG3 LYS A 17 3.116 -12.226 -3.578 1.00 31.15 H new ATOM 0 HD2 LYS A 17 2.895 -14.405 -4.720 1.00 5.45 H new ATOM 0 HD3 LYS A 17 3.743 -13.781 -6.121 1.00 5.45 H new ATOM 0 HE2 LYS A 17 5.246 -15.106 -4.672 1.00 32.53 H new ATOM 0 HE3 LYS A 17 5.782 -13.443 -4.802 1.00 32.53 H new ATOM 0 HZ1 LYS A 17 5.800 -14.408 -2.511 1.00 63.43 H new ATOM 0 HZ2 LYS A 17 4.946 -12.948 -2.657 1.00 63.43 H new ATOM 0 HZ3 LYS A 17 4.102 -14.417 -2.552 1.00 63.43 H new ATOM 253 N GLN A 18 0.031 -10.901 -3.218 1.00 3.42 N ATOM 254 CA GLN A 18 -0.260 -10.361 -1.895 1.00 74.11 C ATOM 255 C GLN A 18 -1.551 -10.950 -1.339 1.00 31.40 C ATOM 256 O GLN A 18 -1.613 -11.352 -0.176 1.00 41.21 O ATOM 257 CB GLN A 18 -0.365 -8.836 -1.956 1.00 50.14 C ATOM 258 CG GLN A 18 0.967 -8.126 -1.777 1.00 1.24 C ATOM 259 CD GLN A 18 1.292 -7.855 -0.322 1.00 33.51 C ATOM 260 OE1 GLN A 18 1.081 -6.750 0.178 1.00 40.45 O ATOM 261 NE2 GLN A 18 1.809 -8.865 0.367 1.00 65.50 N ATOM 0 H GLN A 18 -0.119 -10.245 -3.984 1.00 3.42 H new ATOM 0 HA GLN A 18 0.559 -10.635 -1.230 1.00 74.11 H new ATOM 0 HB2 GLN A 18 -0.795 -8.548 -2.916 1.00 50.14 H new ATOM 0 HB3 GLN A 18 -1.055 -8.497 -1.183 1.00 50.14 H new ATOM 0 HG2 GLN A 18 1.760 -8.732 -2.216 1.00 1.24 H new ATOM 0 HG3 GLN A 18 0.948 -7.183 -2.323 1.00 1.24 H new ATOM 0 HE21 GLN A 18 1.967 -9.764 -0.087 1.00 65.50 H new ATOM 0 HE22 GLN A 18 2.048 -8.742 1.351 1.00 65.50 H new ATOM 270 N THR A 19 -2.583 -10.999 -2.176 1.00 31.11 N ATOM 271 CA THR A 19 -3.874 -11.538 -1.767 1.00 55.23 C ATOM 272 C THR A 19 -4.470 -12.423 -2.856 1.00 11.43 C ATOM 273 O THR A 19 -4.716 -11.970 -3.974 1.00 51.24 O ATOM 274 CB THR A 19 -4.871 -10.413 -1.433 1.00 50.44 C ATOM 275 OG1 THR A 19 -5.303 -9.768 -2.636 1.00 72.12 O ATOM 276 CG2 THR A 19 -4.241 -9.390 -0.501 1.00 74.11 C ATOM 0 H THR A 19 -2.549 -10.672 -3.141 1.00 31.11 H new ATOM 0 HA THR A 19 -3.698 -12.136 -0.873 1.00 55.23 H new ATOM 0 HB THR A 19 -5.730 -10.857 -0.931 1.00 50.44 H new ATOM 0 HG1 THR A 19 -4.958 -10.258 -3.412 1.00 72.12 H new ATOM 0 HG21 THR A 19 -4.964 -8.605 -0.280 1.00 74.11 H new ATOM 0 HG22 THR A 19 -3.941 -9.879 0.426 1.00 74.11 H new ATOM 0 HG23 THR A 19 -3.366 -8.952 -0.980 1.00 74.11 H new ATOM 284 N THR A 20 -4.701 -13.690 -2.522 1.00 61.13 N ATOM 285 CA THR A 20 -5.268 -14.639 -3.471 1.00 1.13 C ATOM 286 C THR A 20 -6.426 -14.019 -4.243 1.00 5.33 C ATOM 287 O THR A 20 -6.625 -14.306 -5.424 1.00 5.34 O ATOM 288 CB THR A 20 -5.761 -15.914 -2.763 1.00 61.25 C ATOM 289 OG1 THR A 20 -6.776 -15.582 -1.808 1.00 10.11 O ATOM 290 CG2 THR A 20 -4.613 -16.624 -2.063 1.00 3.31 C ATOM 0 H THR A 20 -4.504 -14.081 -1.601 1.00 61.13 H new ATOM 0 HA THR A 20 -4.472 -14.904 -4.167 1.00 1.13 H new ATOM 0 HB THR A 20 -6.175 -16.584 -3.517 1.00 61.25 H new ATOM 0 HG1 THR A 20 -7.086 -16.398 -1.363 1.00 10.11 H new ATOM 0 HG21 THR A 20 -4.987 -17.522 -1.570 1.00 3.31 H new ATOM 0 HG22 THR A 20 -3.855 -16.901 -2.796 1.00 3.31 H new ATOM 0 HG23 THR A 20 -4.173 -15.959 -1.320 1.00 3.31 H new ATOM 298 N CYS A 21 -7.190 -13.165 -3.570 1.00 64.14 N ATOM 299 CA CYS A 21 -8.330 -12.502 -4.193 1.00 5.11 C ATOM 300 C CYS A 21 -7.868 -11.472 -5.219 1.00 40.40 C ATOM 301 O CYS A 21 -7.520 -10.343 -4.869 1.00 21.12 O ATOM 302 CB CYS A 21 -9.197 -11.825 -3.129 1.00 1.52 C ATOM 303 SG CYS A 21 -10.246 -12.975 -2.182 1.00 50.33 S ATOM 0 H CYS A 21 -7.040 -12.916 -2.592 1.00 64.14 H new ATOM 0 HA CYS A 21 -8.922 -13.259 -4.707 1.00 5.11 H new ATOM 0 HB2 CYS A 21 -8.550 -11.287 -2.437 1.00 1.52 H new ATOM 0 HB3 CYS A 21 -9.833 -11.084 -3.612 1.00 1.52 H new ATOM 308 N THR A 22 -7.864 -11.868 -6.488 1.00 14.00 N ATOM 309 CA THR A 22 -7.443 -10.982 -7.565 1.00 51.41 C ATOM 310 C THR A 22 -8.416 -9.819 -7.732 1.00 53.53 C ATOM 311 O THR A 22 -8.047 -8.757 -8.231 1.00 3.31 O ATOM 312 CB THR A 22 -7.329 -11.737 -8.903 1.00 73.14 C ATOM 313 OG1 THR A 22 -8.320 -12.770 -8.967 1.00 3.21 O ATOM 314 CG2 THR A 22 -5.944 -12.344 -9.066 1.00 14.31 C ATOM 0 H THR A 22 -8.148 -12.798 -6.795 1.00 14.00 H new ATOM 0 HA THR A 22 -6.462 -10.595 -7.290 1.00 51.41 H new ATOM 0 HB THR A 22 -7.493 -11.026 -9.712 1.00 73.14 H new ATOM 0 HG1 THR A 22 -8.243 -13.245 -9.821 1.00 3.21 H new ATOM 0 HG21 THR A 22 -5.888 -12.872 -10.018 1.00 14.31 H new ATOM 0 HG22 THR A 22 -5.195 -11.552 -9.045 1.00 14.31 H new ATOM 0 HG23 THR A 22 -5.755 -13.043 -8.252 1.00 14.31 H new ATOM 322 N ASN A 23 -9.659 -10.029 -7.309 1.00 53.41 N ATOM 323 CA ASN A 23 -10.684 -8.997 -7.411 1.00 34.21 C ATOM 324 C ASN A 23 -10.167 -7.662 -6.886 1.00 20.55 C ATOM 325 O ASN A 23 -10.046 -7.463 -5.677 1.00 5.23 O ATOM 326 CB ASN A 23 -11.935 -9.413 -6.636 1.00 61.22 C ATOM 327 CG ASN A 23 -13.197 -8.782 -7.191 1.00 4.53 C ATOM 328 OD1 ASN A 23 -13.662 -9.144 -8.271 1.00 12.23 O ATOM 329 ND2 ASN A 23 -13.758 -7.831 -6.452 1.00 73.14 N ATOM 0 H ASN A 23 -9.980 -10.903 -6.893 1.00 53.41 H new ATOM 0 HA ASN A 23 -10.940 -8.878 -8.464 1.00 34.21 H new ATOM 0 HB2 ASN A 23 -12.032 -10.498 -6.664 1.00 61.22 H new ATOM 0 HB3 ASN A 23 -11.821 -9.131 -5.589 1.00 61.22 H new ATOM 0 HD21 ASN A 23 -14.609 -7.370 -6.774 1.00 73.14 H new ATOM 0 HD22 ASN A 23 -13.338 -7.562 -5.562 1.00 73.14 H new ATOM 336 N SER A 24 -9.864 -6.748 -7.802 1.00 54.05 N ATOM 337 CA SER A 24 -9.357 -5.432 -7.432 1.00 34.31 C ATOM 338 C SER A 24 -9.753 -4.386 -8.469 1.00 44.51 C ATOM 339 O SER A 24 -10.330 -4.709 -9.507 1.00 53.52 O ATOM 340 CB SER A 24 -7.834 -5.472 -7.287 1.00 75.00 C ATOM 341 OG SER A 24 -7.336 -4.234 -6.810 1.00 22.34 O ATOM 0 H SER A 24 -9.961 -6.895 -8.807 1.00 54.05 H new ATOM 0 HA SER A 24 -9.799 -5.155 -6.475 1.00 34.31 H new ATOM 0 HB2 SER A 24 -7.551 -6.270 -6.601 1.00 75.00 H new ATOM 0 HB3 SER A 24 -7.379 -5.704 -8.250 1.00 75.00 H new ATOM 0 HG SER A 24 -7.950 -3.872 -6.137 1.00 22.34 H new ATOM 347 N LYS A 25 -9.441 -3.127 -8.179 1.00 3.11 N ATOM 348 CA LYS A 25 -9.763 -2.030 -9.084 1.00 42.00 C ATOM 349 C LYS A 25 -8.562 -1.106 -9.268 1.00 25.42 C ATOM 350 O LYS A 25 -8.086 -0.492 -8.313 1.00 61.41 O ATOM 351 CB LYS A 25 -10.956 -1.233 -8.551 1.00 42.44 C ATOM 352 CG LYS A 25 -12.301 -1.823 -8.936 1.00 20.30 C ATOM 353 CD LYS A 25 -13.440 -0.868 -8.619 1.00 61.22 C ATOM 354 CE LYS A 25 -13.567 0.219 -9.676 1.00 34.25 C ATOM 355 NZ LYS A 25 -14.855 0.957 -9.561 1.00 70.51 N1+ ATOM 0 H LYS A 25 -8.965 -2.841 -7.323 1.00 3.11 H new ATOM 0 HA LYS A 25 -10.023 -2.457 -10.053 1.00 42.00 H new ATOM 0 HB2 LYS A 25 -10.890 -1.179 -7.464 1.00 42.44 H new ATOM 0 HB3 LYS A 25 -10.896 -0.211 -8.925 1.00 42.44 H new ATOM 0 HG2 LYS A 25 -12.306 -2.056 -10.001 1.00 20.30 H new ATOM 0 HG3 LYS A 25 -12.453 -2.762 -8.404 1.00 20.30 H new ATOM 0 HD2 LYS A 25 -14.375 -1.424 -8.554 1.00 61.22 H new ATOM 0 HD3 LYS A 25 -13.272 -0.411 -7.644 1.00 61.22 H new ATOM 0 HE2 LYS A 25 -12.737 0.919 -9.578 1.00 34.25 H new ATOM 0 HE3 LYS A 25 -13.492 -0.228 -10.667 1.00 34.25 H new ATOM 0 HZ1 LYS A 25 -14.903 1.689 -10.299 1.00 70.51 H new ATOM 0 HZ2 LYS A 25 -15.647 0.294 -9.680 1.00 70.51 H new ATOM 0 HZ3 LYS A 25 -14.916 1.405 -8.624 1.00 70.51 H new ATOM 369 N CYS A 26 -8.078 -1.010 -10.502 1.00 32.25 N ATOM 370 CA CYS A 26 -6.935 -0.162 -10.812 1.00 41.13 C ATOM 371 C CYS A 26 -7.388 1.251 -11.172 1.00 2.13 C ATOM 372 O CYS A 26 -7.864 1.497 -12.280 1.00 2.40 O ATOM 373 CB CYS A 26 -6.127 -0.759 -11.965 1.00 14.14 C ATOM 374 SG CYS A 26 -4.363 -0.301 -11.953 1.00 22.13 S ATOM 0 H CYS A 26 -8.461 -1.510 -11.304 1.00 32.25 H new ATOM 0 HA CYS A 26 -6.304 -0.108 -9.925 1.00 41.13 H new ATOM 0 HB2 CYS A 26 -6.210 -1.845 -11.928 1.00 14.14 H new ATOM 0 HB3 CYS A 26 -6.568 -0.438 -12.908 1.00 14.14 H new ATOM 379 N MET A 27 -7.235 2.174 -10.228 1.00 14.44 N ATOM 380 CA MET A 27 -7.626 3.561 -10.446 1.00 2.23 C ATOM 381 C MET A 27 -6.470 4.508 -10.142 1.00 31.21 C ATOM 382 O MET A 27 -5.731 4.308 -9.179 1.00 4.41 O ATOM 383 CB MET A 27 -8.834 3.916 -9.576 1.00 42.02 C ATOM 384 CG MET A 27 -8.675 3.506 -8.121 1.00 64.14 C ATOM 385 SD MET A 27 -10.098 3.963 -7.111 1.00 13.43 S ATOM 386 CE MET A 27 -9.780 5.707 -6.850 1.00 12.31 C ATOM 0 H MET A 27 -6.843 1.986 -9.305 1.00 14.44 H new ATOM 0 HA MET A 27 -7.897 3.674 -11.496 1.00 2.23 H new ATOM 0 HB2 MET A 27 -9.004 4.992 -9.626 1.00 42.02 H new ATOM 0 HB3 MET A 27 -9.721 3.434 -9.986 1.00 42.02 H new ATOM 0 HG2 MET A 27 -8.526 2.428 -8.066 1.00 64.14 H new ATOM 0 HG3 MET A 27 -7.779 3.973 -7.712 1.00 64.14 H new ATOM 0 HE1 MET A 27 -9.773 5.920 -5.781 1.00 12.31 H new ATOM 0 HE2 MET A 27 -8.812 5.968 -7.278 1.00 12.31 H new ATOM 0 HE3 MET A 27 -10.561 6.295 -7.332 1.00 12.31 H new ATOM 396 N ASN A 28 -6.320 5.537 -10.969 1.00 52.54 N ATOM 397 CA ASN A 28 -5.251 6.513 -10.787 1.00 2.02 C ATOM 398 C ASN A 28 -3.882 5.849 -10.898 1.00 30.13 C ATOM 399 O ASN A 28 -2.941 6.222 -10.199 1.00 54.41 O ATOM 400 CB ASN A 28 -5.388 7.202 -9.428 1.00 14.20 C ATOM 401 CG ASN A 28 -4.716 8.562 -9.399 1.00 24.05 C ATOM 402 OD1 ASN A 28 -5.292 9.561 -9.827 1.00 41.04 O ATOM 403 ND2 ASN A 28 -3.489 8.604 -8.892 1.00 74.35 N ATOM 0 H ASN A 28 -6.924 5.717 -11.771 1.00 52.54 H new ATOM 0 HA ASN A 28 -5.337 7.260 -11.576 1.00 2.02 H new ATOM 0 HB2 ASN A 28 -6.445 7.317 -9.187 1.00 14.20 H new ATOM 0 HB3 ASN A 28 -4.952 6.568 -8.656 1.00 14.20 H new ATOM 0 HD21 ASN A 28 -2.986 9.490 -8.846 1.00 74.35 H new ATOM 0 HD22 ASN A 28 -3.050 7.750 -8.548 1.00 74.35 H new ATOM 410 N GLY A 29 -3.780 4.862 -11.783 1.00 74.33 N ATOM 411 CA GLY A 29 -2.522 4.161 -11.970 1.00 71.42 C ATOM 412 C GLY A 29 -2.054 3.463 -10.708 1.00 42.04 C ATOM 413 O GLY A 29 -0.858 3.243 -10.519 1.00 24.02 O ATOM 0 H GLY A 29 -4.545 4.535 -12.373 1.00 74.33 H new ATOM 0 HA2 GLY A 29 -2.634 3.426 -12.768 1.00 71.42 H new ATOM 0 HA3 GLY A 29 -1.759 4.869 -12.294 1.00 71.42 H new ATOM 417 N LYS A 30 -2.999 3.115 -9.841 1.00 63.53 N ATOM 418 CA LYS A 30 -2.678 2.439 -8.590 1.00 43.44 C ATOM 419 C LYS A 30 -3.520 1.177 -8.422 1.00 71.13 C ATOM 420 O LYS A 30 -4.649 1.103 -8.907 1.00 11.40 O ATOM 421 CB LYS A 30 -2.908 3.379 -7.405 1.00 33.24 C ATOM 422 CG LYS A 30 -2.324 4.766 -7.606 1.00 74.01 C ATOM 423 CD LYS A 30 -1.880 5.381 -6.290 1.00 25.24 C ATOM 424 CE LYS A 30 -3.056 5.588 -5.347 1.00 11.40 C ATOM 425 NZ LYS A 30 -4.051 6.547 -5.903 1.00 10.43 N1+ ATOM 0 H LYS A 30 -3.994 3.290 -9.982 1.00 63.53 H new ATOM 0 HA LYS A 30 -1.627 2.152 -8.620 1.00 43.44 H new ATOM 0 HB2 LYS A 30 -3.979 3.468 -7.225 1.00 33.24 H new ATOM 0 HB3 LYS A 30 -2.470 2.936 -6.510 1.00 33.24 H new ATOM 0 HG2 LYS A 30 -1.475 4.709 -8.287 1.00 74.01 H new ATOM 0 HG3 LYS A 30 -3.067 5.410 -8.077 1.00 74.01 H new ATOM 0 HD2 LYS A 30 -1.141 4.735 -5.816 1.00 25.24 H new ATOM 0 HD3 LYS A 30 -1.392 6.337 -6.480 1.00 25.24 H new ATOM 0 HE2 LYS A 30 -3.541 4.631 -5.156 1.00 11.40 H new ATOM 0 HE3 LYS A 30 -2.692 5.957 -4.388 1.00 11.40 H new ATOM 0 HZ1 LYS A 30 -4.607 6.960 -5.127 1.00 10.43 H new ATOM 0 HZ2 LYS A 30 -3.555 7.305 -6.414 1.00 10.43 H new ATOM 0 HZ3 LYS A 30 -4.687 6.047 -6.557 1.00 10.43 H new ATOM 439 N CYS A 31 -2.962 0.187 -7.733 1.00 43.43 N ATOM 440 CA CYS A 31 -3.661 -1.071 -7.500 1.00 4.11 C ATOM 441 C CYS A 31 -4.149 -1.163 -6.058 1.00 40.43 C ATOM 442 O CYS A 31 -3.354 -1.150 -5.119 1.00 21.25 O ATOM 443 CB CYS A 31 -2.744 -2.254 -7.817 1.00 55.25 C ATOM 444 SG CYS A 31 -3.464 -3.879 -7.421 1.00 65.24 S ATOM 0 H CYS A 31 -2.028 0.232 -7.326 1.00 43.43 H new ATOM 0 HA CYS A 31 -4.527 -1.105 -8.161 1.00 4.11 H new ATOM 0 HB2 CYS A 31 -2.490 -2.229 -8.877 1.00 55.25 H new ATOM 0 HB3 CYS A 31 -1.812 -2.137 -7.263 1.00 55.25 H new ATOM 449 N LYS A 32 -5.464 -1.258 -5.889 1.00 74.21 N ATOM 450 CA LYS A 32 -6.061 -1.354 -4.562 1.00 53.14 C ATOM 451 C LYS A 32 -6.872 -2.638 -4.422 1.00 52.43 C ATOM 452 O LYS A 32 -8.030 -2.702 -4.835 1.00 3.45 O ATOM 453 CB LYS A 32 -6.955 -0.142 -4.294 1.00 62.41 C ATOM 454 CG LYS A 32 -7.805 -0.279 -3.042 1.00 24.11 C ATOM 455 CD LYS A 32 -6.952 -0.554 -1.816 1.00 63.34 C ATOM 456 CE LYS A 32 -5.978 0.584 -1.549 1.00 71.20 C ATOM 457 NZ LYS A 32 -5.127 0.317 -0.356 1.00 24.04 N1+ ATOM 0 H LYS A 32 -6.137 -1.271 -6.655 1.00 74.21 H new ATOM 0 HA LYS A 32 -5.255 -1.373 -3.829 1.00 53.14 H new ATOM 0 HB2 LYS A 32 -6.331 0.747 -4.204 1.00 62.41 H new ATOM 0 HB3 LYS A 32 -7.609 0.014 -5.152 1.00 62.41 H new ATOM 0 HG2 LYS A 32 -8.379 0.635 -2.889 1.00 24.11 H new ATOM 0 HG3 LYS A 32 -8.523 -1.088 -3.176 1.00 24.11 H new ATOM 0 HD2 LYS A 32 -7.596 -0.695 -0.948 1.00 63.34 H new ATOM 0 HD3 LYS A 32 -6.399 -1.483 -1.957 1.00 63.34 H new ATOM 0 HE2 LYS A 32 -5.343 0.731 -2.423 1.00 71.20 H new ATOM 0 HE3 LYS A 32 -6.533 1.510 -1.399 1.00 71.20 H new ATOM 0 HZ1 LYS A 32 -4.477 1.115 -0.207 1.00 24.04 H new ATOM 0 HZ2 LYS A 32 -5.731 0.202 0.483 1.00 24.04 H new ATOM 0 HZ3 LYS A 32 -4.578 -0.553 -0.509 1.00 24.04 H new ATOM 471 N CYS A 33 -6.257 -3.660 -3.836 1.00 32.12 N ATOM 472 CA CYS A 33 -6.921 -4.943 -3.640 1.00 63.03 C ATOM 473 C CYS A 33 -8.140 -4.791 -2.735 1.00 61.42 C ATOM 474 O CYS A 33 -8.209 -3.874 -1.916 1.00 15.41 O ATOM 475 CB CYS A 33 -5.948 -5.958 -3.038 1.00 75.43 C ATOM 476 SG CYS A 33 -4.829 -6.727 -4.252 1.00 63.24 S ATOM 0 H CYS A 33 -5.299 -3.624 -3.488 1.00 32.12 H new ATOM 0 HA CYS A 33 -7.255 -5.304 -4.613 1.00 63.03 H new ATOM 0 HB2 CYS A 33 -5.351 -5.463 -2.272 1.00 75.43 H new ATOM 0 HB3 CYS A 33 -6.519 -6.741 -2.540 1.00 75.43 H new ATOM 481 N TYR A 34 -9.099 -5.697 -2.888 1.00 11.34 N ATOM 482 CA TYR A 34 -10.318 -5.663 -2.086 1.00 13.21 C ATOM 483 C TYR A 34 -10.229 -6.642 -0.919 1.00 65.13 C ATOM 484 O TYR A 34 -10.735 -6.375 0.170 1.00 3.32 O ATOM 485 CB TYR A 34 -11.533 -5.996 -2.953 1.00 53.31 C ATOM 486 CG TYR A 34 -12.102 -4.799 -3.682 1.00 31.41 C ATOM 487 CD1 TYR A 34 -11.321 -4.063 -4.564 1.00 74.15 C ATOM 488 CD2 TYR A 34 -13.420 -4.404 -3.488 1.00 73.21 C ATOM 489 CE1 TYR A 34 -11.836 -2.968 -5.232 1.00 23.02 C ATOM 490 CE2 TYR A 34 -13.943 -3.312 -4.152 1.00 71.21 C ATOM 491 CZ TYR A 34 -13.148 -2.598 -5.023 1.00 70.55 C ATOM 492 OH TYR A 34 -13.666 -1.509 -5.685 1.00 44.45 O ATOM 0 H TYR A 34 -9.057 -6.464 -3.559 1.00 11.34 H new ATOM 0 HA TYR A 34 -10.431 -4.656 -1.685 1.00 13.21 H new ATOM 0 HB2 TYR A 34 -11.251 -6.755 -3.683 1.00 53.31 H new ATOM 0 HB3 TYR A 34 -12.310 -6.431 -2.324 1.00 53.31 H new ATOM 0 HD1 TYR A 34 -10.294 -4.351 -4.731 1.00 74.15 H new ATOM 0 HD2 TYR A 34 -14.046 -4.961 -2.806 1.00 73.21 H new ATOM 0 HE1 TYR A 34 -11.215 -2.406 -5.913 1.00 23.02 H new ATOM 0 HE2 TYR A 34 -14.970 -3.019 -3.990 1.00 71.21 H new ATOM 0 HH TYR A 34 -14.603 -1.385 -5.427 1.00 44.45 H new ATOM 502 N GLY A 35 -9.580 -7.778 -1.156 1.00 60.11 N ATOM 503 CA GLY A 35 -9.435 -8.781 -0.116 1.00 31.44 C ATOM 504 C GLY A 35 -10.675 -9.638 0.040 1.00 22.31 C ATOM 505 O GLY A 35 -11.785 -9.197 -0.259 1.00 24.14 O ATOM 0 H GLY A 35 -9.152 -8.022 -2.049 1.00 60.11 H new ATOM 0 HA2 GLY A 35 -8.583 -9.420 -0.348 1.00 31.44 H new ATOM 0 HA3 GLY A 35 -9.216 -8.288 0.831 1.00 31.44 H new ATOM 509 N CYS A 36 -10.487 -10.868 0.507 1.00 75.53 N ATOM 510 CA CYS A 36 -11.599 -11.791 0.700 1.00 65.11 C ATOM 511 C CYS A 36 -12.474 -11.351 1.870 1.00 41.33 C ATOM 512 O CYS A 36 -12.025 -11.313 3.015 1.00 10.24 O ATOM 513 CB CYS A 36 -11.076 -13.208 0.944 1.00 42.43 C ATOM 514 SG CYS A 36 -9.951 -13.819 -0.353 1.00 34.34 S ATOM 0 H CYS A 36 -9.575 -11.248 0.759 1.00 75.53 H new ATOM 0 HA CYS A 36 -12.205 -11.786 -0.206 1.00 65.11 H new ATOM 0 HB2 CYS A 36 -10.556 -13.232 1.902 1.00 42.43 H new ATOM 0 HB3 CYS A 36 -11.924 -13.888 1.024 1.00 42.43 H new ATOM 519 N VAL A 37 -13.727 -11.020 1.573 1.00 53.23 N ATOM 520 CA VAL A 37 -14.666 -10.585 2.599 1.00 44.41 C ATOM 521 C VAL A 37 -15.622 -11.709 2.982 1.00 14.31 C ATOM 522 O VAL A 37 -16.828 -11.497 3.108 1.00 1.24 O ATOM 523 CB VAL A 37 -15.485 -9.368 2.130 1.00 11.13 C ATOM 524 CG1 VAL A 37 -14.581 -8.160 1.930 1.00 21.55 C ATOM 525 CG2 VAL A 37 -16.241 -9.695 0.852 1.00 35.32 C ATOM 0 H VAL A 37 -14.115 -11.045 0.630 1.00 53.23 H new ATOM 0 HA VAL A 37 -14.074 -10.303 3.470 1.00 44.41 H new ATOM 0 HB VAL A 37 -16.213 -9.123 2.903 1.00 11.13 H new ATOM 0 HG11 VAL A 37 -15.178 -7.310 1.599 1.00 21.55 H new ATOM 0 HG12 VAL A 37 -14.090 -7.914 2.871 1.00 21.55 H new ATOM 0 HG13 VAL A 37 -13.828 -8.390 1.177 1.00 21.55 H new ATOM 0 HG21 VAL A 37 -16.814 -8.824 0.535 1.00 35.32 H new ATOM 0 HG22 VAL A 37 -15.533 -9.967 0.070 1.00 35.32 H new ATOM 0 HG23 VAL A 37 -16.919 -10.529 1.034 1.00 35.32 H new TER 535 VAL A 37