USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 552 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 29 MET CE :methyl -134:sc= -3.99! (180deg=-5.27!) USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 CYS SG : rot -144:sc= 1.21 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 2 THR OG1 : rot 34:sc= -0.0438 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.322 K(o=0.32,f=-1.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0.161 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= -0.0038 (180deg=-0.0594) USER MOD Single : A 24 THR OG1 : rot 170:sc= 0.567 USER MOD Single : A 26 TYR OH : rot -177:sc= 1.27 USER MOD Single : A 27 GLN : amide:sc= -2.97! C(o=-3!,f=-3.5!) USER MOD Single : A 32 THR OG1 : rot -79:sc= 1.3 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 1.26 (180deg=0.996) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc=-0.00409 (180deg=-0.0838) USER MOD Single : A 49 GLN : amide:sc= -0.23 K(o=-0.23,f=-3.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 71:sc= 1.19 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 30:sc= -0.388 USER MOD Single : A 68 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -5.405 -2.451 -22.801 1.00 62.44 N ATOM 39 CA THR A 2 -5.868 -1.644 -21.702 1.00 44.34 C ATOM 40 C THR A 2 -6.765 -2.430 -20.726 1.00 0.21 C ATOM 41 O THR A 2 -7.749 -3.047 -21.130 1.00 71.03 O ATOM 42 CB THR A 2 -6.617 -0.420 -22.245 1.00 40.21 C ATOM 43 OG1 THR A 2 -5.763 0.253 -23.188 1.00 2.40 O ATOM 44 CG2 THR A 2 -6.978 0.549 -21.125 1.00 22.50 C ATOM 0 HA THR A 2 -4.993 -1.325 -21.136 1.00 44.34 H new ATOM 0 HB THR A 2 -7.540 -0.754 -22.719 1.00 40.21 H new ATOM 0 HG1 THR A 2 -5.213 -0.407 -23.660 1.00 2.40 H new ATOM 0 HG21 THR A 2 -7.508 1.406 -21.542 1.00 22.50 H new ATOM 0 HG22 THR A 2 -7.617 0.045 -20.400 1.00 22.50 H new ATOM 0 HG23 THR A 2 -6.068 0.890 -20.632 1.00 22.50 H new ATOM 52 N VAL A 3 -6.402 -2.401 -19.450 1.00 51.00 N ATOM 53 CA VAL A 3 -7.185 -3.024 -18.386 1.00 62.30 C ATOM 54 C VAL A 3 -7.423 -1.952 -17.312 1.00 32.02 C ATOM 55 O VAL A 3 -6.527 -1.131 -17.058 1.00 4.21 O ATOM 56 CB VAL A 3 -6.424 -4.210 -17.706 1.00 42.24 C ATOM 57 CG1 VAL A 3 -7.320 -4.968 -16.767 1.00 53.12 C ATOM 58 CG2 VAL A 3 -5.808 -5.162 -18.696 1.00 74.12 C ATOM 0 H VAL A 3 -5.552 -1.943 -19.121 1.00 51.00 H new ATOM 0 HA VAL A 3 -8.107 -3.414 -18.817 1.00 62.30 H new ATOM 0 HB VAL A 3 -5.611 -3.753 -17.142 1.00 42.24 H new ATOM 0 HG11 VAL A 3 -6.761 -5.785 -16.311 1.00 53.12 H new ATOM 0 HG12 VAL A 3 -7.682 -4.297 -15.988 1.00 53.12 H new ATOM 0 HG13 VAL A 3 -8.168 -5.372 -17.320 1.00 53.12 H new ATOM 0 HG21 VAL A 3 -5.295 -5.962 -18.161 1.00 74.12 H new ATOM 0 HG22 VAL A 3 -6.589 -5.589 -19.325 1.00 74.12 H new ATOM 0 HG23 VAL A 3 -5.093 -4.626 -19.320 1.00 74.12 H new ATOM 68 N TYR A 4 -8.604 -1.921 -16.712 1.00 21.35 N ATOM 69 CA TYR A 4 -8.879 -0.960 -15.665 1.00 13.13 C ATOM 70 C TYR A 4 -8.871 -1.644 -14.295 1.00 25.21 C ATOM 71 O TYR A 4 -9.491 -2.704 -14.106 1.00 61.43 O ATOM 72 CB TYR A 4 -10.210 -0.248 -15.924 1.00 34.24 C ATOM 73 CG TYR A 4 -10.253 0.479 -17.261 1.00 50.12 C ATOM 74 CD1 TYR A 4 -10.590 -0.197 -18.426 1.00 72.50 C ATOM 75 CD2 TYR A 4 -9.943 1.827 -17.359 1.00 62.51 C ATOM 76 CE1 TYR A 4 -10.616 0.440 -19.643 1.00 33.00 C ATOM 77 CE2 TYR A 4 -9.972 2.476 -18.581 1.00 71.14 C ATOM 78 CZ TYR A 4 -10.307 1.773 -19.719 1.00 72.04 C ATOM 79 OH TYR A 4 -10.324 2.411 -20.948 1.00 3.21 O ATOM 0 H TYR A 4 -9.379 -2.547 -16.933 1.00 21.35 H new ATOM 0 HA TYR A 4 -8.092 -0.206 -15.668 1.00 13.13 H new ATOM 0 HB2 TYR A 4 -11.018 -0.979 -15.889 1.00 34.24 H new ATOM 0 HB3 TYR A 4 -10.393 0.468 -15.123 1.00 34.24 H new ATOM 0 HD1 TYR A 4 -10.837 -1.247 -18.374 1.00 72.50 H new ATOM 0 HD2 TYR A 4 -9.675 2.378 -16.470 1.00 62.51 H new ATOM 0 HE1 TYR A 4 -10.879 -0.107 -20.536 1.00 33.00 H new ATOM 0 HE2 TYR A 4 -9.734 3.528 -18.643 1.00 71.14 H new ATOM 0 HH TYR A 4 -10.083 3.354 -20.831 1.00 3.21 H new ATOM 89 N ILE A 5 -8.154 -1.054 -13.360 1.00 22.31 N ATOM 90 CA ILE A 5 -8.018 -1.585 -12.013 1.00 40.53 C ATOM 91 C ILE A 5 -8.609 -0.591 -11.026 1.00 2.43 C ATOM 92 O ILE A 5 -8.157 0.528 -10.944 1.00 12.13 O ATOM 93 CB ILE A 5 -6.512 -1.747 -11.552 1.00 52.43 C ATOM 94 CG1 ILE A 5 -5.601 -2.621 -12.444 1.00 43.34 C ATOM 95 CG2 ILE A 5 -6.450 -2.289 -10.130 1.00 41.32 C ATOM 96 CD1 ILE A 5 -5.394 -2.174 -13.878 1.00 2.50 C ATOM 0 H ILE A 5 -7.643 -0.184 -13.512 1.00 22.31 H new ATOM 0 HA ILE A 5 -8.514 -2.555 -12.028 1.00 40.53 H new ATOM 0 HB ILE A 5 -6.115 -0.735 -11.633 1.00 52.43 H new ATOM 0 HG12 ILE A 5 -4.623 -2.685 -11.967 1.00 43.34 H new ATOM 0 HG13 ILE A 5 -6.014 -3.630 -12.462 1.00 43.34 H new ATOM 0 HG21 ILE A 5 -5.409 -2.395 -9.826 1.00 41.32 H new ATOM 0 HG22 ILE A 5 -6.956 -1.599 -9.455 1.00 41.32 H new ATOM 0 HG23 ILE A 5 -6.941 -3.261 -10.090 1.00 41.32 H new ATOM 0 HD11 ILE A 5 -4.735 -2.878 -14.387 1.00 2.50 H new ATOM 0 HD12 ILE A 5 -6.355 -2.141 -14.391 1.00 2.50 H new ATOM 0 HD13 ILE A 5 -4.943 -1.182 -13.888 1.00 2.50 H new ATOM 108 N CYS A 6 -9.603 -0.973 -10.320 1.00 1.00 N ATOM 109 CA CYS A 6 -10.075 -0.182 -9.234 1.00 32.21 C ATOM 110 C CYS A 6 -10.118 -1.049 -7.985 1.00 33.33 C ATOM 111 O CYS A 6 -11.060 -1.813 -7.797 1.00 1.21 O ATOM 112 CB CYS A 6 -11.431 0.468 -9.507 1.00 3.21 C ATOM 113 SG CYS A 6 -12.011 1.527 -8.163 1.00 4.12 S ATOM 0 H CYS A 6 -10.117 -1.841 -10.472 1.00 1.00 H new ATOM 0 HA CYS A 6 -9.383 0.648 -9.092 1.00 32.21 H new ATOM 0 HB2 CYS A 6 -11.364 1.059 -10.420 1.00 3.21 H new ATOM 0 HB3 CYS A 6 -12.169 -0.314 -9.687 1.00 3.21 H new ATOM 0 HG CYS A 6 -13.303 1.428 -8.059 1.00 4.12 H new ATOM 119 N PRO A 7 -9.082 -0.982 -7.129 1.00 64.22 N ATOM 120 CA PRO A 7 -9.029 -1.773 -5.874 1.00 25.20 C ATOM 121 C PRO A 7 -10.104 -1.333 -4.879 1.00 52.54 C ATOM 122 O PRO A 7 -10.379 -2.007 -3.886 1.00 33.42 O ATOM 123 CB PRO A 7 -7.635 -1.447 -5.299 1.00 24.23 C ATOM 124 CG PRO A 7 -6.864 -0.847 -6.430 1.00 41.14 C ATOM 125 CD PRO A 7 -7.866 -0.161 -7.307 1.00 23.00 C ATOM 0 HA PRO A 7 -9.199 -2.834 -6.057 1.00 25.20 H new ATOM 0 HB2 PRO A 7 -7.709 -0.752 -4.463 1.00 24.23 H new ATOM 0 HB3 PRO A 7 -7.146 -2.346 -4.924 1.00 24.23 H new ATOM 0 HG2 PRO A 7 -6.121 -0.139 -6.062 1.00 41.14 H new ATOM 0 HG3 PRO A 7 -6.325 -1.616 -6.984 1.00 41.14 H new ATOM 0 HD2 PRO A 7 -8.029 0.873 -7.002 1.00 23.00 H new ATOM 0 HD3 PRO A 7 -7.543 -0.139 -8.348 1.00 23.00 H new ATOM 133 N GLU A 8 -10.701 -0.211 -5.174 1.00 2.44 N ATOM 134 CA GLU A 8 -11.669 0.407 -4.317 1.00 42.02 C ATOM 135 C GLU A 8 -13.051 -0.156 -4.572 1.00 33.40 C ATOM 136 O GLU A 8 -13.672 -0.740 -3.685 1.00 33.22 O ATOM 137 CB GLU A 8 -11.693 1.901 -4.601 1.00 2.14 C ATOM 138 CG GLU A 8 -10.323 2.536 -4.636 1.00 75.31 C ATOM 139 CD GLU A 8 -9.572 2.452 -3.318 1.00 65.30 C ATOM 140 OE1 GLU A 8 -8.825 1.459 -3.094 1.00 14.43 O ATOM 141 OE2 GLU A 8 -9.700 3.388 -2.493 1.00 54.53 O ATOM 0 H GLU A 8 -10.523 0.308 -6.034 1.00 2.44 H new ATOM 0 HA GLU A 8 -11.394 0.212 -3.280 1.00 42.02 H new ATOM 0 HB2 GLU A 8 -12.187 2.072 -5.557 1.00 2.14 H new ATOM 0 HB3 GLU A 8 -12.294 2.397 -3.839 1.00 2.14 H new ATOM 0 HG2 GLU A 8 -9.729 2.054 -5.413 1.00 75.31 H new ATOM 0 HG3 GLU A 8 -10.426 3.584 -4.918 1.00 75.31 H new ATOM 148 N THR A 9 -13.531 0.015 -5.785 1.00 21.11 N ATOM 149 CA THR A 9 -14.877 -0.363 -6.114 1.00 34.11 C ATOM 150 C THR A 9 -14.969 -1.580 -7.043 1.00 12.41 C ATOM 151 O THR A 9 -16.058 -2.089 -7.283 1.00 42.54 O ATOM 152 CB THR A 9 -15.649 0.839 -6.715 1.00 65.12 C ATOM 153 OG1 THR A 9 -14.928 1.366 -7.851 1.00 62.01 O ATOM 154 CG2 THR A 9 -15.806 1.942 -5.674 1.00 23.22 C ATOM 0 H THR A 9 -13.001 0.416 -6.559 1.00 21.11 H new ATOM 0 HA THR A 9 -15.342 -0.664 -5.175 1.00 34.11 H new ATOM 0 HB THR A 9 -16.635 0.495 -7.028 1.00 65.12 H new ATOM 0 HG1 THR A 9 -15.421 2.125 -8.228 1.00 62.01 H new ATOM 0 HG21 THR A 9 -16.350 2.780 -6.111 1.00 23.22 H new ATOM 0 HG22 THR A 9 -16.359 1.557 -4.817 1.00 23.22 H new ATOM 0 HG23 THR A 9 -14.821 2.279 -5.349 1.00 23.22 H new ATOM 162 N GLY A 10 -13.850 -2.055 -7.559 1.00 54.23 N ATOM 163 CA GLY A 10 -13.926 -3.210 -8.458 1.00 63.23 C ATOM 164 C GLY A 10 -13.536 -4.503 -7.771 1.00 32.42 C ATOM 165 O GLY A 10 -13.611 -4.606 -6.541 1.00 71.22 O ATOM 0 H GLY A 10 -12.915 -1.686 -7.387 1.00 54.23 H new ATOM 0 HA2 GLY A 10 -14.941 -3.299 -8.845 1.00 63.23 H new ATOM 0 HA3 GLY A 10 -13.272 -3.045 -9.314 1.00 63.23 H new ATOM 169 N ASP A 11 -13.109 -5.477 -8.548 1.00 44.23 N ATOM 170 CA ASP A 11 -12.746 -6.790 -8.044 1.00 34.31 C ATOM 171 C ASP A 11 -12.009 -7.562 -9.124 1.00 71.43 C ATOM 172 O ASP A 11 -12.261 -7.381 -10.304 1.00 35.32 O ATOM 173 CB ASP A 11 -13.967 -7.586 -7.572 1.00 3.52 C ATOM 174 CG ASP A 11 -13.550 -8.867 -6.883 1.00 53.01 C ATOM 175 OD1 ASP A 11 -13.304 -8.837 -5.662 1.00 41.33 O ATOM 176 OD2 ASP A 11 -13.433 -9.907 -7.556 1.00 41.43 O ATOM 0 H ASP A 11 -13.002 -5.381 -9.558 1.00 44.23 H new ATOM 0 HA ASP A 11 -12.098 -6.647 -7.179 1.00 34.31 H new ATOM 0 HB2 ASP A 11 -14.559 -6.978 -6.888 1.00 3.52 H new ATOM 0 HB3 ASP A 11 -14.605 -7.819 -8.425 1.00 3.52 H new ATOM 181 N ASP A 12 -11.094 -8.400 -8.716 1.00 13.21 N ATOM 182 CA ASP A 12 -10.249 -9.184 -9.633 1.00 64.31 C ATOM 183 C ASP A 12 -11.031 -10.266 -10.383 1.00 20.30 C ATOM 184 O ASP A 12 -10.546 -10.800 -11.384 1.00 42.54 O ATOM 185 CB ASP A 12 -9.094 -9.826 -8.875 1.00 24.13 C ATOM 186 CG ASP A 12 -9.578 -10.746 -7.785 1.00 52.40 C ATOM 187 OD1 ASP A 12 -9.832 -10.263 -6.671 1.00 21.43 O ATOM 188 OD2 ASP A 12 -9.723 -11.951 -8.022 1.00 15.13 O ATOM 0 H ASP A 12 -10.897 -8.573 -7.730 1.00 13.21 H new ATOM 0 HA ASP A 12 -9.865 -8.483 -10.374 1.00 64.31 H new ATOM 0 HB2 ASP A 12 -8.470 -10.386 -9.571 1.00 24.13 H new ATOM 0 HB3 ASP A 12 -8.468 -9.047 -8.441 1.00 24.13 H new ATOM 193 N GLY A 13 -12.223 -10.587 -9.912 1.00 23.01 N ATOM 194 CA GLY A 13 -13.039 -11.597 -10.575 1.00 53.31 C ATOM 195 C GLY A 13 -13.754 -11.045 -11.791 1.00 51.22 C ATOM 196 O GLY A 13 -14.469 -11.770 -12.494 1.00 20.14 O ATOM 0 H GLY A 13 -12.647 -10.170 -9.083 1.00 23.01 H new ATOM 0 HA2 GLY A 13 -12.407 -12.433 -10.875 1.00 53.31 H new ATOM 0 HA3 GLY A 13 -13.773 -11.989 -9.871 1.00 53.31 H new ATOM 200 N ASN A 14 -13.549 -9.770 -12.039 1.00 65.44 N ATOM 201 CA ASN A 14 -14.162 -9.082 -13.162 1.00 30.24 C ATOM 202 C ASN A 14 -13.397 -9.284 -14.462 1.00 33.25 C ATOM 203 O ASN A 14 -12.383 -9.980 -14.503 1.00 53.11 O ATOM 204 CB ASN A 14 -14.302 -7.593 -12.874 1.00 21.14 C ATOM 205 CG ASN A 14 -15.324 -7.279 -11.806 1.00 13.24 C ATOM 206 OD1 ASN A 14 -16.290 -8.015 -11.619 1.00 13.04 O ATOM 207 ND2 ASN A 14 -15.137 -6.188 -11.120 1.00 22.12 N ATOM 0 H ASN A 14 -12.950 -9.175 -11.466 1.00 65.44 H new ATOM 0 HA ASN A 14 -15.151 -9.523 -13.290 1.00 30.24 H new ATOM 0 HB2 ASN A 14 -13.334 -7.198 -12.567 1.00 21.14 H new ATOM 0 HB3 ASN A 14 -14.579 -7.078 -13.794 1.00 21.14 H new ATOM 0 HD21 ASN A 14 -15.805 -5.919 -10.398 1.00 22.12 H new ATOM 0 HD22 ASN A 14 -14.322 -5.603 -11.305 1.00 22.12 H new ATOM 214 N ASP A 15 -13.895 -8.657 -15.527 1.00 61.20 N ATOM 215 CA ASP A 15 -13.296 -8.750 -16.870 1.00 24.50 C ATOM 216 C ASP A 15 -12.247 -7.674 -17.066 1.00 31.23 C ATOM 217 O ASP A 15 -11.537 -7.656 -18.068 1.00 42.11 O ATOM 218 CB ASP A 15 -14.371 -8.601 -17.962 1.00 53.22 C ATOM 219 CG ASP A 15 -15.428 -9.670 -17.903 1.00 61.14 C ATOM 220 OD1 ASP A 15 -16.429 -9.481 -17.199 1.00 2.21 O ATOM 221 OD2 ASP A 15 -15.266 -10.724 -18.554 1.00 62.21 O ATOM 0 H ASP A 15 -14.727 -8.068 -15.489 1.00 61.20 H new ATOM 0 HA ASP A 15 -12.830 -9.732 -16.952 1.00 24.50 H new ATOM 0 HB2 ASP A 15 -14.845 -7.624 -17.865 1.00 53.22 H new ATOM 0 HB3 ASP A 15 -13.892 -8.627 -18.941 1.00 53.22 H new ATOM 226 N GLY A 16 -12.164 -6.773 -16.113 1.00 23.54 N ATOM 227 CA GLY A 16 -11.207 -5.691 -16.181 1.00 74.23 C ATOM 228 C GLY A 16 -11.586 -4.574 -17.126 1.00 52.21 C ATOM 229 O GLY A 16 -10.707 -3.911 -17.709 1.00 60.33 O ATOM 0 H GLY A 16 -12.750 -6.768 -15.278 1.00 23.54 H new ATOM 0 HA2 GLY A 16 -11.077 -5.275 -15.182 1.00 74.23 H new ATOM 0 HA3 GLY A 16 -10.242 -6.096 -16.486 1.00 74.23 H new ATOM 233 N SER A 17 -12.865 -4.350 -17.286 1.00 34.32 N ATOM 234 CA SER A 17 -13.334 -3.262 -18.098 1.00 40.32 C ATOM 235 C SER A 17 -13.427 -2.017 -17.218 1.00 15.22 C ATOM 236 O SER A 17 -13.088 -2.078 -16.035 1.00 52.14 O ATOM 237 CB SER A 17 -14.692 -3.614 -18.728 1.00 13.21 C ATOM 238 OG SER A 17 -15.655 -3.954 -17.733 1.00 61.53 O ATOM 0 H SER A 17 -13.603 -4.912 -16.861 1.00 34.32 H new ATOM 0 HA SER A 17 -12.642 -3.070 -18.918 1.00 40.32 H new ATOM 0 HB2 SER A 17 -15.054 -2.768 -19.312 1.00 13.21 H new ATOM 0 HB3 SER A 17 -14.569 -4.449 -19.418 1.00 13.21 H new ATOM 0 HG SER A 17 -16.508 -4.171 -18.164 1.00 61.53 H new ATOM 244 N GLU A 18 -13.862 -0.903 -17.763 1.00 43.20 N ATOM 245 CA GLU A 18 -13.975 0.288 -16.974 1.00 73.24 C ATOM 246 C GLU A 18 -15.138 0.136 -15.965 1.00 50.23 C ATOM 247 O GLU A 18 -15.073 0.622 -14.829 1.00 43.54 O ATOM 248 CB GLU A 18 -14.193 1.493 -17.878 1.00 22.34 C ATOM 249 CG GLU A 18 -14.228 2.803 -17.154 1.00 11.00 C ATOM 250 CD GLU A 18 -14.487 3.963 -18.071 1.00 41.43 C ATOM 251 OE1 GLU A 18 -15.668 4.266 -18.339 1.00 23.15 O ATOM 252 OE2 GLU A 18 -13.530 4.589 -18.535 1.00 1.55 O ATOM 0 H GLU A 18 -14.139 -0.803 -18.740 1.00 43.20 H new ATOM 0 HA GLU A 18 -13.051 0.444 -16.417 1.00 73.24 H new ATOM 0 HB2 GLU A 18 -13.398 1.523 -18.623 1.00 22.34 H new ATOM 0 HB3 GLU A 18 -15.131 1.363 -18.418 1.00 22.34 H new ATOM 0 HG2 GLU A 18 -15.003 2.770 -16.388 1.00 11.00 H new ATOM 0 HG3 GLU A 18 -13.279 2.956 -16.640 1.00 11.00 H new ATOM 259 N LEU A 19 -16.200 -0.550 -16.401 1.00 1.30 N ATOM 260 CA LEU A 19 -17.361 -0.799 -15.567 1.00 10.42 C ATOM 261 C LEU A 19 -17.123 -1.958 -14.606 1.00 32.44 C ATOM 262 O LEU A 19 -17.727 -2.023 -13.535 1.00 65.21 O ATOM 263 CB LEU A 19 -18.610 -1.069 -16.414 1.00 22.13 C ATOM 264 CG LEU A 19 -19.166 0.095 -17.254 1.00 11.10 C ATOM 265 CD1 LEU A 19 -19.491 1.307 -16.393 1.00 60.34 C ATOM 266 CD2 LEU A 19 -18.273 0.467 -18.427 1.00 10.24 C ATOM 0 H LEU A 19 -16.271 -0.943 -17.340 1.00 1.30 H new ATOM 0 HA LEU A 19 -17.528 0.104 -14.980 1.00 10.42 H new ATOM 0 HB2 LEU A 19 -18.386 -1.894 -17.090 1.00 22.13 H new ATOM 0 HB3 LEU A 19 -19.401 -1.410 -15.747 1.00 22.13 H new ATOM 0 HG LEU A 19 -20.099 -0.267 -17.686 1.00 11.10 H new ATOM 0 HD11 LEU A 19 -19.881 2.107 -17.023 1.00 60.34 H new ATOM 0 HD12 LEU A 19 -20.239 1.034 -15.648 1.00 60.34 H new ATOM 0 HD13 LEU A 19 -18.586 1.649 -15.890 1.00 60.34 H new ATOM 0 HD21 LEU A 19 -18.722 1.294 -18.978 1.00 10.24 H new ATOM 0 HD22 LEU A 19 -17.293 0.767 -18.057 1.00 10.24 H new ATOM 0 HD23 LEU A 19 -18.164 -0.393 -19.088 1.00 10.24 H new ATOM 278 N LYS A 20 -16.237 -2.864 -14.980 1.00 14.13 N ATOM 279 CA LYS A 20 -15.888 -4.002 -14.133 1.00 31.35 C ATOM 280 C LYS A 20 -14.390 -3.996 -13.920 1.00 35.04 C ATOM 281 O LYS A 20 -13.678 -4.830 -14.495 1.00 74.13 O ATOM 282 CB LYS A 20 -16.252 -5.337 -14.800 1.00 32.00 C ATOM 283 CG LYS A 20 -17.673 -5.450 -15.339 1.00 54.14 C ATOM 284 CD LYS A 20 -17.879 -6.805 -16.008 1.00 55.03 C ATOM 285 CE LYS A 20 -19.278 -6.961 -16.603 1.00 63.44 C ATOM 286 NZ LYS A 20 -20.340 -6.864 -15.582 1.00 22.02 N ATOM 0 H LYS A 20 -15.740 -2.837 -15.870 1.00 14.13 H new ATOM 0 HA LYS A 20 -16.439 -3.910 -13.197 1.00 31.35 H new ATOM 0 HB2 LYS A 20 -15.558 -5.510 -15.622 1.00 32.00 H new ATOM 0 HB3 LYS A 20 -16.095 -6.137 -14.076 1.00 32.00 H new ATOM 0 HG2 LYS A 20 -18.389 -5.326 -14.526 1.00 54.14 H new ATOM 0 HG3 LYS A 20 -17.862 -4.651 -16.055 1.00 54.14 H new ATOM 0 HD2 LYS A 20 -17.137 -6.933 -16.796 1.00 55.03 H new ATOM 0 HD3 LYS A 20 -17.709 -7.596 -15.278 1.00 55.03 H new ATOM 0 HE2 LYS A 20 -19.435 -6.193 -17.360 1.00 63.44 H new ATOM 0 HE3 LYS A 20 -19.350 -7.925 -17.107 1.00 63.44 H new ATOM 0 HZ1 LYS A 20 -21.258 -7.093 -16.013 1.00 22.02 H new ATOM 0 HZ2 LYS A 20 -20.143 -7.534 -14.811 1.00 22.02 H new ATOM 0 HZ3 LYS A 20 -20.368 -5.897 -15.201 1.00 22.02 H new ATOM 300 N PRO A 21 -13.874 -3.052 -13.145 1.00 41.04 N ATOM 301 CA PRO A 21 -12.460 -2.949 -12.932 1.00 25.13 C ATOM 302 C PRO A 21 -11.951 -4.036 -12.002 1.00 14.32 C ATOM 303 O PRO A 21 -12.694 -4.550 -11.140 1.00 71.44 O ATOM 304 CB PRO A 21 -12.286 -1.565 -12.319 1.00 72.51 C ATOM 305 CG PRO A 21 -13.584 -1.264 -11.659 1.00 22.34 C ATOM 306 CD PRO A 21 -14.630 -2.009 -12.421 1.00 41.12 C ATOM 0 HA PRO A 21 -11.890 -3.077 -13.852 1.00 25.13 H new ATOM 0 HB2 PRO A 21 -11.467 -1.553 -11.600 1.00 72.51 H new ATOM 0 HB3 PRO A 21 -12.051 -0.823 -13.082 1.00 72.51 H new ATOM 0 HG2 PRO A 21 -13.569 -1.575 -10.614 1.00 22.34 H new ATOM 0 HG3 PRO A 21 -13.785 -0.193 -11.670 1.00 22.34 H new ATOM 0 HD2 PRO A 21 -15.374 -2.446 -11.754 1.00 41.12 H new ATOM 0 HD3 PRO A 21 -15.164 -1.354 -13.109 1.00 41.12 H new ATOM 314 N LEU A 22 -10.712 -4.402 -12.185 1.00 60.01 N ATOM 315 CA LEU A 22 -10.073 -5.405 -11.367 1.00 20.42 C ATOM 316 C LEU A 22 -9.638 -4.768 -10.084 1.00 23.23 C ATOM 317 O LEU A 22 -9.547 -3.578 -10.013 1.00 14.11 O ATOM 318 CB LEU A 22 -8.876 -5.972 -12.097 1.00 15.15 C ATOM 319 CG LEU A 22 -9.177 -6.588 -13.451 1.00 34.02 C ATOM 320 CD1 LEU A 22 -7.916 -7.046 -14.109 1.00 64.35 C ATOM 321 CD2 LEU A 22 -10.166 -7.734 -13.321 1.00 25.22 C ATOM 0 H LEU A 22 -10.110 -4.012 -12.910 1.00 60.01 H new ATOM 0 HA LEU A 22 -10.769 -6.217 -11.157 1.00 20.42 H new ATOM 0 HB2 LEU A 22 -8.143 -5.177 -12.232 1.00 15.15 H new ATOM 0 HB3 LEU A 22 -8.411 -6.730 -11.466 1.00 15.15 H new ATOM 0 HG LEU A 22 -9.634 -5.823 -14.079 1.00 34.02 H new ATOM 0 HD11 LEU A 22 -8.150 -7.485 -15.079 1.00 64.35 H new ATOM 0 HD12 LEU A 22 -7.248 -6.196 -14.248 1.00 64.35 H new ATOM 0 HD13 LEU A 22 -7.428 -7.792 -13.481 1.00 64.35 H new ATOM 0 HD21 LEU A 22 -10.364 -8.157 -14.306 1.00 25.22 H new ATOM 0 HD22 LEU A 22 -9.748 -8.504 -12.673 1.00 25.22 H new ATOM 0 HD23 LEU A 22 -11.097 -7.364 -12.891 1.00 25.22 H new ATOM 333 N ARG A 23 -9.369 -5.541 -9.076 1.00 31.01 N ATOM 334 CA ARG A 23 -8.983 -4.935 -7.822 1.00 62.24 C ATOM 335 C ARG A 23 -7.482 -4.949 -7.612 1.00 23.13 C ATOM 336 O ARG A 23 -6.980 -4.491 -6.600 1.00 53.20 O ATOM 337 CB ARG A 23 -9.771 -5.533 -6.650 1.00 34.32 C ATOM 338 CG ARG A 23 -9.566 -7.004 -6.344 1.00 44.04 C ATOM 339 CD ARG A 23 -8.235 -7.309 -5.677 1.00 73.25 C ATOM 340 NE ARG A 23 -8.062 -8.738 -5.436 1.00 23.03 N ATOM 341 CZ ARG A 23 -7.053 -9.281 -4.761 1.00 44.41 C ATOM 342 NH1 ARG A 23 -6.088 -8.514 -4.259 1.00 74.42 N ATOM 343 NH2 ARG A 23 -7.009 -10.596 -4.587 1.00 34.44 N ATOM 0 H ARG A 23 -9.405 -6.560 -9.085 1.00 31.01 H new ATOM 0 HA ARG A 23 -9.253 -3.880 -7.867 1.00 62.24 H new ATOM 0 HB2 ARG A 23 -9.522 -4.965 -5.753 1.00 34.32 H new ATOM 0 HB3 ARG A 23 -10.832 -5.375 -6.843 1.00 34.32 H new ATOM 0 HG2 ARG A 23 -10.374 -7.348 -5.698 1.00 44.04 H new ATOM 0 HG3 ARG A 23 -9.636 -7.572 -7.271 1.00 44.04 H new ATOM 0 HD2 ARG A 23 -7.422 -6.946 -6.306 1.00 73.25 H new ATOM 0 HD3 ARG A 23 -8.171 -6.771 -4.731 1.00 73.25 H new ATOM 0 HE ARG A 23 -8.769 -9.368 -5.814 1.00 23.03 H new ATOM 0 HH11 ARG A 23 -6.119 -7.503 -4.391 1.00 74.42 H new ATOM 0 HH12 ARG A 23 -5.317 -8.937 -3.742 1.00 74.42 H new ATOM 0 HH21 ARG A 23 -7.747 -11.186 -4.970 1.00 34.44 H new ATOM 0 HH22 ARG A 23 -6.237 -11.016 -4.070 1.00 34.44 H new ATOM 357 N THR A 24 -6.773 -5.463 -8.583 1.00 63.43 N ATOM 358 CA THR A 24 -5.343 -5.543 -8.512 1.00 22.24 C ATOM 359 C THR A 24 -4.736 -5.492 -9.888 1.00 23.31 C ATOM 360 O THR A 24 -5.355 -5.926 -10.880 1.00 60.34 O ATOM 361 CB THR A 24 -4.850 -6.826 -7.764 1.00 1.32 C ATOM 362 OG1 THR A 24 -3.427 -6.935 -7.828 1.00 1.20 O ATOM 363 CG2 THR A 24 -5.503 -8.095 -8.308 1.00 2.03 C ATOM 0 H THR A 24 -7.173 -5.837 -9.443 1.00 63.43 H new ATOM 0 HA THR A 24 -5.013 -4.678 -7.937 1.00 22.24 H new ATOM 0 HB THR A 24 -5.151 -6.722 -6.721 1.00 1.32 H new ATOM 0 HG1 THR A 24 -3.126 -7.646 -7.225 1.00 1.20 H new ATOM 0 HG21 THR A 24 -5.131 -8.960 -7.759 1.00 2.03 H new ATOM 0 HG22 THR A 24 -6.584 -8.028 -8.189 1.00 2.03 H new ATOM 0 HG23 THR A 24 -5.261 -8.205 -9.365 1.00 2.03 H new ATOM 371 N LEU A 25 -3.538 -4.966 -9.938 1.00 34.04 N ATOM 372 CA LEU A 25 -2.752 -4.885 -11.135 1.00 35.00 C ATOM 373 C LEU A 25 -2.284 -6.288 -11.512 1.00 32.14 C ATOM 374 O LEU A 25 -1.972 -6.574 -12.677 1.00 30.21 O ATOM 375 CB LEU A 25 -1.556 -3.972 -10.870 1.00 43.14 C ATOM 376 CG LEU A 25 -0.594 -3.735 -12.023 1.00 14.00 C ATOM 377 CD1 LEU A 25 -1.318 -3.135 -13.214 1.00 40.21 C ATOM 378 CD2 LEU A 25 0.521 -2.821 -11.565 1.00 34.20 C ATOM 0 H LEU A 25 -3.072 -4.572 -9.121 1.00 34.04 H new ATOM 0 HA LEU A 25 -3.338 -4.476 -11.958 1.00 35.00 H new ATOM 0 HB2 LEU A 25 -1.936 -3.004 -10.543 1.00 43.14 H new ATOM 0 HB3 LEU A 25 -0.990 -4.390 -10.038 1.00 43.14 H new ATOM 0 HG LEU A 25 -0.172 -4.690 -12.336 1.00 14.00 H new ATOM 0 HD11 LEU A 25 -0.610 -2.974 -14.027 1.00 40.21 H new ATOM 0 HD12 LEU A 25 -2.101 -3.817 -13.545 1.00 40.21 H new ATOM 0 HD13 LEU A 25 -1.763 -2.182 -12.927 1.00 40.21 H new ATOM 0 HD21 LEU A 25 1.213 -2.649 -12.390 1.00 34.20 H new ATOM 0 HD22 LEU A 25 0.101 -1.869 -11.240 1.00 34.20 H new ATOM 0 HD23 LEU A 25 1.054 -3.285 -10.735 1.00 34.20 H new ATOM 390 N TYR A 26 -2.284 -7.167 -10.509 1.00 5.33 N ATOM 391 CA TYR A 26 -1.903 -8.551 -10.664 1.00 54.53 C ATOM 392 C TYR A 26 -2.792 -9.226 -11.702 1.00 24.42 C ATOM 393 O TYR A 26 -2.300 -9.839 -12.638 1.00 62.41 O ATOM 394 CB TYR A 26 -2.055 -9.215 -9.304 1.00 12.22 C ATOM 395 CG TYR A 26 -1.624 -10.641 -9.192 1.00 21.12 C ATOM 396 CD1 TYR A 26 -0.296 -10.964 -9.158 1.00 14.00 C ATOM 397 CD2 TYR A 26 -2.550 -11.664 -9.059 1.00 3.23 C ATOM 398 CE1 TYR A 26 0.112 -12.250 -8.996 1.00 70.22 C ATOM 399 CE2 TYR A 26 -2.141 -12.964 -8.903 1.00 34.24 C ATOM 400 CZ TYR A 26 -0.800 -13.244 -8.868 1.00 21.24 C ATOM 401 OH TYR A 26 -0.369 -14.524 -8.681 1.00 44.22 O ATOM 0 H TYR A 26 -2.554 -6.923 -9.556 1.00 5.33 H new ATOM 0 HA TYR A 26 -0.874 -8.637 -11.012 1.00 54.53 H new ATOM 0 HB2 TYR A 26 -1.489 -8.632 -8.578 1.00 12.22 H new ATOM 0 HB3 TYR A 26 -3.104 -9.155 -9.013 1.00 12.22 H new ATOM 0 HD1 TYR A 26 0.442 -10.183 -9.262 1.00 14.00 H new ATOM 0 HD2 TYR A 26 -3.605 -11.435 -9.078 1.00 3.23 H new ATOM 0 HE1 TYR A 26 1.167 -12.481 -8.969 1.00 70.22 H new ATOM 0 HE2 TYR A 26 -2.867 -13.758 -8.809 1.00 34.24 H new ATOM 0 HH TYR A 26 -1.140 -15.128 -8.654 1.00 44.22 H new ATOM 411 N GLN A 27 -4.103 -9.048 -11.562 1.00 73.44 N ATOM 412 CA GLN A 27 -5.061 -9.679 -12.462 1.00 44.22 C ATOM 413 C GLN A 27 -4.961 -9.088 -13.881 1.00 25.44 C ATOM 414 O GLN A 27 -5.145 -9.801 -14.860 1.00 40.25 O ATOM 415 CB GLN A 27 -6.501 -9.604 -11.892 1.00 2.32 C ATOM 416 CG GLN A 27 -7.579 -10.271 -12.769 1.00 43.44 C ATOM 417 CD GLN A 27 -7.342 -11.761 -12.989 1.00 22.44 C ATOM 418 OE1 GLN A 27 -6.794 -12.454 -12.138 1.00 63.43 O ATOM 419 NE2 GLN A 27 -7.751 -12.247 -14.131 1.00 50.24 N ATOM 0 H GLN A 27 -4.525 -8.472 -10.834 1.00 73.44 H new ATOM 0 HA GLN A 27 -4.808 -10.736 -12.540 1.00 44.22 H new ATOM 0 HB2 GLN A 27 -6.512 -10.073 -10.908 1.00 2.32 H new ATOM 0 HB3 GLN A 27 -6.766 -8.556 -11.749 1.00 2.32 H new ATOM 0 HG2 GLN A 27 -8.554 -10.130 -12.303 1.00 43.44 H new ATOM 0 HG3 GLN A 27 -7.612 -9.769 -13.736 1.00 43.44 H new ATOM 0 HE21 GLN A 27 -8.203 -11.637 -14.812 1.00 50.24 H new ATOM 0 HE22 GLN A 27 -7.619 -13.236 -14.341 1.00 50.24 H new ATOM 428 N ALA A 28 -4.642 -7.788 -13.976 1.00 30.23 N ATOM 429 CA ALA A 28 -4.462 -7.116 -15.253 1.00 65.04 C ATOM 430 C ALA A 28 -3.345 -7.779 -16.045 1.00 43.03 C ATOM 431 O ALA A 28 -3.455 -7.977 -17.264 1.00 43.12 O ATOM 432 CB ALA A 28 -4.169 -5.640 -15.027 1.00 20.55 C ATOM 0 H ALA A 28 -4.504 -7.183 -13.167 1.00 30.23 H new ATOM 0 HA ALA A 28 -5.381 -7.199 -15.833 1.00 65.04 H new ATOM 0 HB1 ALA A 28 -4.036 -5.144 -15.988 1.00 20.55 H new ATOM 0 HB2 ALA A 28 -5.002 -5.181 -14.495 1.00 20.55 H new ATOM 0 HB3 ALA A 28 -3.259 -5.536 -14.436 1.00 20.55 H new ATOM 438 N MET A 29 -2.274 -8.129 -15.355 1.00 43.51 N ATOM 439 CA MET A 29 -1.190 -8.846 -15.958 1.00 15.45 C ATOM 440 C MET A 29 -1.539 -10.286 -16.278 1.00 61.43 C ATOM 441 O MET A 29 -1.051 -10.818 -17.251 1.00 74.20 O ATOM 442 CB MET A 29 0.085 -8.763 -15.144 1.00 50.21 C ATOM 443 CG MET A 29 0.906 -7.505 -15.369 1.00 44.35 C ATOM 444 SD MET A 29 2.429 -7.563 -14.479 1.00 44.13 S ATOM 445 CE MET A 29 3.250 -6.182 -15.220 1.00 11.21 C ATOM 0 H MET A 29 -2.142 -7.920 -14.365 1.00 43.51 H new ATOM 0 HA MET A 29 -1.005 -8.344 -16.908 1.00 15.45 H new ATOM 0 HB2 MET A 29 -0.171 -8.828 -14.087 1.00 50.21 H new ATOM 0 HB3 MET A 29 0.704 -9.630 -15.376 1.00 50.21 H new ATOM 0 HG2 MET A 29 1.109 -7.387 -16.433 1.00 44.35 H new ATOM 0 HG3 MET A 29 0.332 -6.633 -15.055 1.00 44.35 H new ATOM 0 HE1 MET A 29 4.273 -6.460 -15.474 1.00 11.21 H new ATOM 0 HE2 MET A 29 2.719 -5.886 -16.125 1.00 11.21 H new ATOM 0 HE3 MET A 29 3.265 -5.348 -14.518 1.00 11.21 H new ATOM 455 N ILE A 30 -2.384 -10.904 -15.466 1.00 70.34 N ATOM 456 CA ILE A 30 -2.810 -12.293 -15.705 1.00 73.31 C ATOM 457 C ILE A 30 -3.569 -12.397 -17.026 1.00 61.04 C ATOM 458 O ILE A 30 -3.270 -13.225 -17.875 1.00 41.34 O ATOM 459 CB ILE A 30 -3.729 -12.825 -14.556 1.00 61.33 C ATOM 460 CG1 ILE A 30 -3.006 -12.754 -13.206 1.00 50.51 C ATOM 461 CG2 ILE A 30 -4.195 -14.257 -14.842 1.00 0.22 C ATOM 462 CD1 ILE A 30 -3.799 -13.279 -12.045 1.00 24.41 C ATOM 0 H ILE A 30 -2.792 -10.475 -14.636 1.00 70.34 H new ATOM 0 HA ILE A 30 -1.906 -12.901 -15.741 1.00 73.31 H new ATOM 0 HB ILE A 30 -4.610 -12.185 -14.509 1.00 61.33 H new ATOM 0 HG12 ILE A 30 -2.075 -13.316 -13.277 1.00 50.51 H new ATOM 0 HG13 ILE A 30 -2.737 -11.717 -13.006 1.00 50.51 H new ATOM 0 HG21 ILE A 30 -4.832 -14.602 -14.028 1.00 0.22 H new ATOM 0 HG22 ILE A 30 -4.757 -14.277 -15.776 1.00 0.22 H new ATOM 0 HG23 ILE A 30 -3.328 -14.912 -14.926 1.00 0.22 H new ATOM 0 HD11 ILE A 30 -3.210 -13.190 -11.132 1.00 24.41 H new ATOM 0 HD12 ILE A 30 -4.718 -12.702 -11.942 1.00 24.41 H new ATOM 0 HD13 ILE A 30 -4.045 -14.327 -12.217 1.00 24.41 H new ATOM 474 N ILE A 31 -4.533 -11.524 -17.179 1.00 71.14 N ATOM 475 CA ILE A 31 -5.398 -11.498 -18.336 1.00 24.43 C ATOM 476 C ILE A 31 -4.637 -11.180 -19.640 1.00 15.25 C ATOM 477 O ILE A 31 -4.919 -11.758 -20.695 1.00 72.24 O ATOM 478 CB ILE A 31 -6.529 -10.449 -18.146 1.00 15.42 C ATOM 479 CG1 ILE A 31 -7.321 -10.747 -16.884 1.00 44.32 C ATOM 480 CG2 ILE A 31 -7.453 -10.462 -19.328 1.00 63.32 C ATOM 481 CD1 ILE A 31 -8.484 -9.815 -16.655 1.00 3.42 C ATOM 0 H ILE A 31 -4.744 -10.799 -16.493 1.00 71.14 H new ATOM 0 HA ILE A 31 -5.820 -12.499 -18.426 1.00 24.43 H new ATOM 0 HB ILE A 31 -6.071 -9.464 -18.057 1.00 15.42 H new ATOM 0 HG12 ILE A 31 -7.693 -11.770 -16.934 1.00 44.32 H new ATOM 0 HG13 ILE A 31 -6.651 -10.693 -16.026 1.00 44.32 H new ATOM 0 HG21 ILE A 31 -8.241 -9.723 -19.182 1.00 63.32 H new ATOM 0 HG22 ILE A 31 -6.892 -10.221 -20.231 1.00 63.32 H new ATOM 0 HG23 ILE A 31 -7.899 -11.451 -19.431 1.00 63.32 H new ATOM 0 HD11 ILE A 31 -8.998 -10.094 -15.735 1.00 3.42 H new ATOM 0 HD12 ILE A 31 -8.119 -8.791 -16.571 1.00 3.42 H new ATOM 0 HD13 ILE A 31 -9.177 -9.885 -17.493 1.00 3.42 H new ATOM 493 N THR A 32 -3.679 -10.282 -19.565 1.00 51.00 N ATOM 494 CA THR A 32 -3.017 -9.820 -20.762 1.00 15.30 C ATOM 495 C THR A 32 -1.662 -10.503 -21.007 1.00 1.14 C ATOM 496 O THR A 32 -1.351 -10.894 -22.140 1.00 34.11 O ATOM 497 CB THR A 32 -2.817 -8.287 -20.717 1.00 62.24 C ATOM 498 OG1 THR A 32 -2.014 -7.936 -19.570 1.00 52.23 O ATOM 499 CG2 THR A 32 -4.164 -7.564 -20.622 1.00 52.50 C ATOM 0 H THR A 32 -3.345 -9.862 -18.698 1.00 51.00 H new ATOM 0 HA THR A 32 -3.672 -10.089 -21.591 1.00 15.30 H new ATOM 0 HB THR A 32 -2.315 -7.981 -21.635 1.00 62.24 H new ATOM 0 HG1 THR A 32 -2.572 -7.946 -18.765 1.00 52.23 H new ATOM 0 HG21 THR A 32 -3.998 -6.487 -20.592 1.00 52.50 H new ATOM 0 HG22 THR A 32 -4.773 -7.813 -21.491 1.00 52.50 H new ATOM 0 HG23 THR A 32 -4.682 -7.877 -19.715 1.00 52.50 H new ATOM 507 N LYS A 33 -0.862 -10.638 -19.933 1.00 74.01 N ATOM 508 CA LYS A 33 0.532 -11.136 -19.969 1.00 74.41 C ATOM 509 C LYS A 33 1.436 -10.215 -20.783 1.00 44.34 C ATOM 510 O LYS A 33 2.590 -10.529 -21.037 1.00 74.10 O ATOM 511 CB LYS A 33 0.643 -12.575 -20.505 1.00 4.43 C ATOM 512 CG LYS A 33 -0.125 -13.606 -19.706 1.00 62.53 C ATOM 513 CD LYS A 33 0.167 -15.029 -20.187 1.00 30.41 C ATOM 514 CE LYS A 33 -0.185 -15.222 -21.650 1.00 72.31 C ATOM 515 NZ LYS A 33 0.065 -16.605 -22.097 1.00 23.11 N ATOM 0 H LYS A 33 -1.172 -10.399 -18.991 1.00 74.01 H new ATOM 0 HA LYS A 33 0.867 -11.142 -18.932 1.00 74.41 H new ATOM 0 HB2 LYS A 33 0.287 -12.594 -21.535 1.00 4.43 H new ATOM 0 HB3 LYS A 33 1.695 -12.861 -20.526 1.00 4.43 H new ATOM 0 HG2 LYS A 33 0.137 -13.518 -18.652 1.00 62.53 H new ATOM 0 HG3 LYS A 33 -1.194 -13.407 -19.787 1.00 62.53 H new ATOM 0 HD2 LYS A 33 1.223 -15.252 -20.037 1.00 30.41 H new ATOM 0 HD3 LYS A 33 -0.398 -15.738 -19.582 1.00 30.41 H new ATOM 0 HE2 LYS A 33 -1.235 -14.974 -21.807 1.00 72.31 H new ATOM 0 HE3 LYS A 33 0.400 -14.532 -22.258 1.00 72.31 H new ATOM 0 HZ1 LYS A 33 -0.188 -16.696 -23.102 1.00 23.11 H new ATOM 0 HZ2 LYS A 33 1.072 -16.834 -21.971 1.00 23.11 H new ATOM 0 HZ3 LYS A 33 -0.512 -17.262 -21.534 1.00 23.11 H new ATOM 529 N SER A 34 0.927 -9.055 -21.148 1.00 5.31 N ATOM 530 CA SER A 34 1.651 -8.186 -22.038 1.00 14.21 C ATOM 531 C SER A 34 2.607 -7.232 -21.300 1.00 52.24 C ATOM 532 O SER A 34 3.558 -6.750 -21.891 1.00 33.35 O ATOM 533 CB SER A 34 0.645 -7.400 -22.855 1.00 3.40 C ATOM 534 OG SER A 34 -0.267 -8.276 -23.502 1.00 50.51 O ATOM 0 H SER A 34 0.021 -8.699 -20.842 1.00 5.31 H new ATOM 0 HA SER A 34 2.279 -8.802 -22.682 1.00 14.21 H new ATOM 0 HB2 SER A 34 0.100 -6.713 -22.208 1.00 3.40 H new ATOM 0 HB3 SER A 34 1.165 -6.794 -23.597 1.00 3.40 H new ATOM 0 HG SER A 34 -0.910 -7.752 -24.023 1.00 50.51 H new ATOM 540 N SER A 35 2.356 -6.995 -20.001 1.00 45.03 N ATOM 541 CA SER A 35 3.218 -6.145 -19.113 1.00 44.02 C ATOM 542 C SER A 35 3.421 -4.647 -19.573 1.00 42.43 C ATOM 543 O SER A 35 3.891 -3.816 -18.790 1.00 64.14 O ATOM 544 CB SER A 35 4.580 -6.821 -18.908 1.00 32.14 C ATOM 545 OG SER A 35 4.424 -8.124 -18.357 1.00 63.10 O ATOM 0 H SER A 35 1.546 -7.384 -19.519 1.00 45.03 H new ATOM 0 HA SER A 35 2.665 -6.072 -18.176 1.00 44.02 H new ATOM 0 HB2 SER A 35 5.105 -6.886 -19.861 1.00 32.14 H new ATOM 0 HB3 SER A 35 5.196 -6.213 -18.245 1.00 32.14 H new ATOM 0 HG SER A 35 5.305 -8.536 -18.237 1.00 63.10 H new ATOM 551 N LYS A 36 3.055 -4.325 -20.796 1.00 54.30 N ATOM 552 CA LYS A 36 3.317 -2.997 -21.363 1.00 54.32 C ATOM 553 C LYS A 36 2.037 -2.265 -21.722 1.00 54.44 C ATOM 554 O LYS A 36 2.084 -1.125 -22.178 1.00 54.43 O ATOM 555 CB LYS A 36 4.162 -3.122 -22.643 1.00 22.22 C ATOM 556 CG LYS A 36 3.471 -3.935 -23.745 1.00 52.12 C ATOM 557 CD LYS A 36 4.222 -3.902 -25.070 1.00 54.33 C ATOM 558 CE LYS A 36 5.619 -4.479 -24.966 1.00 11.51 C ATOM 559 NZ LYS A 36 6.305 -4.454 -26.271 1.00 63.03 N ATOM 0 H LYS A 36 2.571 -4.962 -21.429 1.00 54.30 H new ATOM 0 HA LYS A 36 3.848 -2.431 -20.597 1.00 54.32 H new ATOM 0 HB2 LYS A 36 4.386 -2.125 -23.022 1.00 22.22 H new ATOM 0 HB3 LYS A 36 5.115 -3.591 -22.397 1.00 22.22 H new ATOM 0 HG2 LYS A 36 3.370 -4.969 -23.417 1.00 52.12 H new ATOM 0 HG3 LYS A 36 2.463 -3.549 -23.896 1.00 52.12 H new ATOM 0 HD2 LYS A 36 3.658 -4.461 -25.817 1.00 54.33 H new ATOM 0 HD3 LYS A 36 4.284 -2.872 -25.422 1.00 54.33 H new ATOM 0 HE2 LYS A 36 6.197 -3.910 -24.238 1.00 11.51 H new ATOM 0 HE3 LYS A 36 5.565 -5.504 -24.600 1.00 11.51 H new ATOM 0 HZ1 LYS A 36 7.259 -4.855 -26.169 1.00 63.03 H new ATOM 0 HZ2 LYS A 36 5.764 -5.017 -26.958 1.00 63.03 H new ATOM 0 HZ3 LYS A 36 6.376 -3.472 -26.607 1.00 63.03 H new ATOM 573 N GLY A 37 0.911 -2.913 -21.540 1.00 3.11 N ATOM 574 CA GLY A 37 -0.343 -2.315 -21.936 1.00 4.32 C ATOM 575 C GLY A 37 -0.748 -1.194 -21.025 1.00 51.13 C ATOM 576 O GLY A 37 -0.054 -0.899 -20.038 1.00 30.04 O ATOM 0 H GLY A 37 0.836 -3.842 -21.126 1.00 3.11 H new ATOM 0 HA2 GLY A 37 -0.259 -1.940 -22.956 1.00 4.32 H new ATOM 0 HA3 GLY A 37 -1.122 -3.077 -21.940 1.00 4.32 H new ATOM 580 N ASP A 38 -1.853 -0.561 -21.322 1.00 34.54 N ATOM 581 CA ASP A 38 -2.321 0.473 -20.453 1.00 62.11 C ATOM 582 C ASP A 38 -3.060 -0.170 -19.347 1.00 75.02 C ATOM 583 O ASP A 38 -4.132 -0.728 -19.532 1.00 10.11 O ATOM 584 CB ASP A 38 -3.247 1.490 -21.161 1.00 20.31 C ATOM 585 CG ASP A 38 -2.546 2.423 -22.121 1.00 21.02 C ATOM 586 OD1 ASP A 38 -2.360 2.067 -23.300 1.00 15.03 O ATOM 587 OD2 ASP A 38 -2.171 3.545 -21.707 1.00 13.03 O ATOM 0 H ASP A 38 -2.431 -0.742 -22.142 1.00 34.54 H new ATOM 0 HA ASP A 38 -1.457 1.034 -20.098 1.00 62.11 H new ATOM 0 HB2 ASP A 38 -4.016 0.942 -21.705 1.00 20.31 H new ATOM 0 HB3 ASP A 38 -3.756 2.086 -20.403 1.00 20.31 H new ATOM 592 N PHE A 39 -2.503 -0.109 -18.217 1.00 72.11 N ATOM 593 CA PHE A 39 -3.128 -0.621 -17.071 1.00 3.34 C ATOM 594 C PHE A 39 -3.481 0.560 -16.263 1.00 20.01 C ATOM 595 O PHE A 39 -2.613 1.202 -15.690 1.00 15.14 O ATOM 596 CB PHE A 39 -2.194 -1.574 -16.311 1.00 73.31 C ATOM 597 CG PHE A 39 -1.696 -2.743 -17.143 1.00 11.20 C ATOM 598 CD1 PHE A 39 -2.573 -3.699 -17.618 1.00 32.03 C ATOM 599 CD2 PHE A 39 -0.353 -2.869 -17.458 1.00 31.21 C ATOM 600 CE1 PHE A 39 -2.123 -4.760 -18.381 1.00 71.14 C ATOM 601 CE2 PHE A 39 0.102 -3.927 -18.220 1.00 41.11 C ATOM 602 CZ PHE A 39 -0.783 -4.871 -18.683 1.00 44.24 C ATOM 0 H PHE A 39 -1.585 0.304 -18.052 1.00 72.11 H new ATOM 0 HA PHE A 39 -4.010 -1.212 -17.316 1.00 3.34 H new ATOM 0 HB2 PHE A 39 -1.336 -1.010 -15.945 1.00 73.31 H new ATOM 0 HB3 PHE A 39 -2.718 -1.960 -15.437 1.00 73.31 H new ATOM 0 HD1 PHE A 39 -3.625 -3.616 -17.390 1.00 32.03 H new ATOM 0 HD2 PHE A 39 0.349 -2.129 -17.102 1.00 31.21 H new ATOM 0 HE1 PHE A 39 -2.821 -5.502 -18.740 1.00 71.14 H new ATOM 0 HE2 PHE A 39 1.153 -4.013 -18.452 1.00 41.11 H new ATOM 0 HZ PHE A 39 -0.429 -5.697 -19.282 1.00 44.24 H new ATOM 612 N LEU A 40 -4.728 0.888 -16.248 1.00 23.32 N ATOM 613 CA LEU A 40 -5.133 2.108 -15.629 1.00 10.30 C ATOM 614 C LEU A 40 -5.786 1.806 -14.337 1.00 13.11 C ATOM 615 O LEU A 40 -6.767 1.073 -14.279 1.00 24.32 O ATOM 616 CB LEU A 40 -6.093 2.885 -16.527 1.00 20.24 C ATOM 617 CG LEU A 40 -5.612 3.208 -17.952 1.00 23.34 C ATOM 618 CD1 LEU A 40 -6.689 3.947 -18.716 1.00 62.40 C ATOM 619 CD2 LEU A 40 -4.337 4.028 -17.925 1.00 0.32 C ATOM 0 H LEU A 40 -5.482 0.334 -16.654 1.00 23.32 H new ATOM 0 HA LEU A 40 -4.251 2.726 -15.463 1.00 10.30 H new ATOM 0 HB2 LEU A 40 -7.020 2.317 -16.603 1.00 20.24 H new ATOM 0 HB3 LEU A 40 -6.335 3.825 -16.030 1.00 20.24 H new ATOM 0 HG LEU A 40 -5.401 2.266 -18.457 1.00 23.34 H new ATOM 0 HD11 LEU A 40 -6.334 4.169 -19.722 1.00 62.40 H new ATOM 0 HD12 LEU A 40 -7.584 3.327 -18.775 1.00 62.40 H new ATOM 0 HD13 LEU A 40 -6.926 4.878 -18.202 1.00 62.40 H new ATOM 0 HD21 LEU A 40 -4.020 4.242 -18.946 1.00 0.32 H new ATOM 0 HD22 LEU A 40 -4.518 4.965 -17.398 1.00 0.32 H new ATOM 0 HD23 LEU A 40 -3.555 3.468 -17.412 1.00 0.32 H new ATOM 631 N ILE A 41 -5.260 2.367 -13.308 1.00 65.00 N ATOM 632 CA ILE A 41 -5.745 2.121 -12.013 1.00 54.44 C ATOM 633 C ILE A 41 -6.464 3.341 -11.489 1.00 10.21 C ATOM 634 O ILE A 41 -6.000 4.474 -11.668 1.00 72.41 O ATOM 635 CB ILE A 41 -4.610 1.679 -11.049 1.00 65.40 C ATOM 636 CG1 ILE A 41 -3.851 0.478 -11.675 1.00 0.21 C ATOM 637 CG2 ILE A 41 -5.180 1.328 -9.679 1.00 4.53 C ATOM 638 CD1 ILE A 41 -2.919 -0.270 -10.753 1.00 33.12 C ATOM 0 H ILE A 41 -4.473 3.015 -13.350 1.00 65.00 H new ATOM 0 HA ILE A 41 -6.454 1.295 -12.067 1.00 54.44 H new ATOM 0 HB ILE A 41 -3.907 2.500 -10.906 1.00 65.40 H new ATOM 0 HG12 ILE A 41 -4.585 -0.226 -12.066 1.00 0.21 H new ATOM 0 HG13 ILE A 41 -3.274 0.842 -12.525 1.00 0.21 H new ATOM 0 HG21 ILE A 41 -4.371 1.020 -9.016 1.00 4.53 H new ATOM 0 HG22 ILE A 41 -5.681 2.200 -9.259 1.00 4.53 H new ATOM 0 HG23 ILE A 41 -5.896 0.512 -9.781 1.00 4.53 H new ATOM 0 HD11 ILE A 41 -2.445 -1.086 -11.298 1.00 33.12 H new ATOM 0 HD12 ILE A 41 -2.153 0.410 -10.380 1.00 33.12 H new ATOM 0 HD13 ILE A 41 -3.485 -0.675 -9.914 1.00 33.12 H new ATOM 650 N ARG A 42 -7.612 3.111 -10.904 1.00 43.32 N ATOM 651 CA ARG A 42 -8.403 4.149 -10.334 1.00 3.24 C ATOM 652 C ARG A 42 -7.753 4.552 -9.053 1.00 71.22 C ATOM 653 O ARG A 42 -7.605 3.754 -8.124 1.00 33.12 O ATOM 654 CB ARG A 42 -9.799 3.667 -10.055 1.00 32.40 C ATOM 655 CG ARG A 42 -10.818 4.761 -9.775 1.00 63.10 C ATOM 656 CD ARG A 42 -11.102 5.600 -11.019 1.00 21.30 C ATOM 657 NE ARG A 42 -12.444 6.187 -11.002 1.00 31.02 N ATOM 658 CZ ARG A 42 -12.978 6.935 -11.985 1.00 1.52 C ATOM 659 NH1 ARG A 42 -12.271 7.208 -13.085 1.00 65.21 N ATOM 660 NH2 ARG A 42 -14.218 7.388 -11.871 1.00 63.40 N ATOM 0 H ARG A 42 -8.021 2.181 -10.814 1.00 43.32 H new ATOM 0 HA ARG A 42 -8.470 4.988 -11.027 1.00 3.24 H new ATOM 0 HB2 ARG A 42 -10.142 3.083 -10.909 1.00 32.40 H new ATOM 0 HB3 ARG A 42 -9.769 2.993 -9.199 1.00 32.40 H new ATOM 0 HG2 ARG A 42 -11.745 4.312 -9.419 1.00 63.10 H new ATOM 0 HG3 ARG A 42 -10.450 5.406 -8.977 1.00 63.10 H new ATOM 0 HD2 ARG A 42 -10.361 6.396 -11.094 1.00 21.30 H new ATOM 0 HD3 ARG A 42 -10.992 4.977 -11.907 1.00 21.30 H new ATOM 0 HE ARG A 42 -13.020 6.015 -10.178 1.00 31.02 H new ATOM 0 HH11 ARG A 42 -11.321 6.849 -13.183 1.00 65.21 H new ATOM 0 HH12 ARG A 42 -12.681 7.775 -13.827 1.00 65.21 H new ATOM 0 HH21 ARG A 42 -14.766 7.170 -11.039 1.00 63.40 H new ATOM 0 HH22 ARG A 42 -14.624 7.955 -12.615 1.00 63.40 H new ATOM 674 N THR A 43 -7.374 5.741 -9.016 1.00 23.30 N ATOM 675 CA THR A 43 -6.642 6.272 -7.936 1.00 3.52 C ATOM 676 C THR A 43 -7.245 7.597 -7.590 1.00 41.31 C ATOM 677 O THR A 43 -7.894 8.217 -8.435 1.00 74.52 O ATOM 678 CB THR A 43 -5.125 6.415 -8.301 1.00 62.13 C ATOM 679 OG1 THR A 43 -4.353 6.758 -7.135 1.00 54.11 O ATOM 680 CG2 THR A 43 -4.895 7.473 -9.378 1.00 73.43 C ATOM 0 H THR A 43 -7.563 6.414 -9.758 1.00 23.30 H new ATOM 0 HA THR A 43 -6.693 5.602 -7.078 1.00 3.52 H new ATOM 0 HB THR A 43 -4.801 5.449 -8.689 1.00 62.13 H new ATOM 0 HG1 THR A 43 -3.408 6.841 -7.381 1.00 54.11 H new ATOM 0 HG21 THR A 43 -3.830 7.540 -9.601 1.00 73.43 H new ATOM 0 HG22 THR A 43 -5.438 7.197 -10.282 1.00 73.43 H new ATOM 0 HG23 THR A 43 -5.252 8.439 -9.021 1.00 73.43 H new ATOM 688 N LYS A 44 -7.093 8.025 -6.386 1.00 61.53 N ATOM 689 CA LYS A 44 -7.641 9.273 -6.008 1.00 55.31 C ATOM 690 C LYS A 44 -6.538 10.263 -5.857 1.00 32.24 C ATOM 691 O LYS A 44 -5.691 10.155 -4.976 1.00 61.15 O ATOM 692 CB LYS A 44 -8.485 9.156 -4.734 1.00 12.11 C ATOM 693 CG LYS A 44 -9.680 8.232 -4.907 1.00 4.31 C ATOM 694 CD LYS A 44 -10.570 8.172 -3.674 1.00 54.12 C ATOM 695 CE LYS A 44 -9.857 7.610 -2.458 1.00 14.34 C ATOM 696 NZ LYS A 44 -10.772 7.489 -1.301 1.00 70.13 N ATOM 0 H LYS A 44 -6.594 7.527 -5.649 1.00 61.53 H new ATOM 0 HA LYS A 44 -8.318 9.618 -6.789 1.00 55.31 H new ATOM 0 HB2 LYS A 44 -7.860 8.787 -3.921 1.00 12.11 H new ATOM 0 HB3 LYS A 44 -8.835 10.146 -4.442 1.00 12.11 H new ATOM 0 HG2 LYS A 44 -10.271 8.568 -5.759 1.00 4.31 H new ATOM 0 HG3 LYS A 44 -9.325 7.228 -5.141 1.00 4.31 H new ATOM 0 HD2 LYS A 44 -10.933 9.174 -3.445 1.00 54.12 H new ATOM 0 HD3 LYS A 44 -11.444 7.558 -3.892 1.00 54.12 H new ATOM 0 HE2 LYS A 44 -9.441 6.631 -2.698 1.00 14.34 H new ATOM 0 HE3 LYS A 44 -9.019 8.256 -2.195 1.00 14.34 H new ATOM 0 HZ1 LYS A 44 -10.253 7.102 -0.487 1.00 70.13 H new ATOM 0 HZ2 LYS A 44 -11.149 8.427 -1.057 1.00 70.13 H new ATOM 0 HZ3 LYS A 44 -11.558 6.853 -1.545 1.00 70.13 H new ATOM 710 N LYS A 45 -6.523 11.191 -6.763 1.00 33.35 N ATOM 711 CA LYS A 45 -5.530 12.216 -6.816 1.00 12.13 C ATOM 712 C LYS A 45 -6.222 13.548 -6.895 1.00 24.51 C ATOM 713 O LYS A 45 -7.153 13.722 -7.700 1.00 15.03 O ATOM 714 CB LYS A 45 -4.612 11.996 -8.022 1.00 55.11 C ATOM 715 CG LYS A 45 -3.536 13.041 -8.184 1.00 62.24 C ATOM 716 CD LYS A 45 -2.523 12.612 -9.215 1.00 45.23 C ATOM 717 CE LYS A 45 -1.656 11.461 -8.708 1.00 2.24 C ATOM 718 NZ LYS A 45 -0.605 11.081 -9.670 1.00 71.24 N ATOM 0 H LYS A 45 -7.220 11.257 -7.505 1.00 33.35 H new ATOM 0 HA LYS A 45 -4.909 12.188 -5.920 1.00 12.13 H new ATOM 0 HB2 LYS A 45 -4.141 11.017 -7.931 1.00 55.11 H new ATOM 0 HB3 LYS A 45 -5.220 11.974 -8.927 1.00 55.11 H new ATOM 0 HG2 LYS A 45 -3.985 13.989 -8.481 1.00 62.24 H new ATOM 0 HG3 LYS A 45 -3.040 13.209 -7.228 1.00 62.24 H new ATOM 0 HD2 LYS A 45 -3.038 12.306 -10.126 1.00 45.23 H new ATOM 0 HD3 LYS A 45 -1.888 13.459 -9.476 1.00 45.23 H new ATOM 0 HE2 LYS A 45 -1.193 11.747 -7.763 1.00 2.24 H new ATOM 0 HE3 LYS A 45 -2.288 10.596 -8.504 1.00 2.24 H new ATOM 0 HZ1 LYS A 45 0.226 10.727 -9.154 1.00 71.24 H new ATOM 0 HZ2 LYS A 45 -0.964 10.336 -10.300 1.00 71.24 H new ATOM 0 HZ3 LYS A 45 -0.335 11.911 -10.235 1.00 71.24 H new ATOM 732 N ASP A 46 -5.798 14.469 -6.038 1.00 32.23 N ATOM 733 CA ASP A 46 -6.391 15.812 -5.921 1.00 75.15 C ATOM 734 C ASP A 46 -7.871 15.667 -5.515 1.00 32.33 C ATOM 735 O ASP A 46 -8.718 16.492 -5.811 1.00 64.01 O ATOM 736 CB ASP A 46 -6.208 16.592 -7.256 1.00 13.30 C ATOM 737 CG ASP A 46 -6.678 18.042 -7.213 1.00 44.04 C ATOM 738 OD1 ASP A 46 -6.030 18.875 -6.531 1.00 65.20 O ATOM 739 OD2 ASP A 46 -7.649 18.382 -7.918 1.00 42.44 O ATOM 0 H ASP A 46 -5.024 14.310 -5.393 1.00 32.23 H new ATOM 0 HA ASP A 46 -5.886 16.392 -5.148 1.00 75.15 H new ATOM 0 HB2 ASP A 46 -5.153 16.574 -7.531 1.00 13.30 H new ATOM 0 HB3 ASP A 46 -6.752 16.071 -8.044 1.00 13.30 H new ATOM 744 N GLY A 47 -8.137 14.609 -4.761 1.00 53.24 N ATOM 745 CA GLY A 47 -9.466 14.350 -4.260 1.00 24.23 C ATOM 746 C GLY A 47 -10.429 13.812 -5.310 1.00 53.35 C ATOM 747 O GLY A 47 -11.642 13.857 -5.111 1.00 34.15 O ATOM 0 H GLY A 47 -7.441 13.917 -4.485 1.00 53.24 H new ATOM 0 HA2 GLY A 47 -9.401 13.634 -3.440 1.00 24.23 H new ATOM 0 HA3 GLY A 47 -9.874 15.272 -3.846 1.00 24.23 H new ATOM 751 N LYS A 48 -9.913 13.318 -6.425 1.00 42.34 N ATOM 752 CA LYS A 48 -10.764 12.758 -7.478 1.00 64.31 C ATOM 753 C LYS A 48 -10.297 11.383 -7.893 1.00 30.20 C ATOM 754 O LYS A 48 -9.103 11.108 -7.885 1.00 34.23 O ATOM 755 CB LYS A 48 -10.801 13.668 -8.707 1.00 73.14 C ATOM 756 CG LYS A 48 -11.429 15.028 -8.467 1.00 13.24 C ATOM 757 CD LYS A 48 -11.438 15.875 -9.733 1.00 61.41 C ATOM 758 CE LYS A 48 -12.228 15.223 -10.866 1.00 15.41 C ATOM 759 NZ LYS A 48 -13.641 14.975 -10.503 1.00 13.31 N ATOM 0 H LYS A 48 -8.914 13.291 -6.629 1.00 42.34 H new ATOM 0 HA LYS A 48 -11.768 12.681 -7.061 1.00 64.31 H new ATOM 0 HB2 LYS A 48 -9.782 13.811 -9.068 1.00 73.14 H new ATOM 0 HB3 LYS A 48 -11.352 13.163 -9.500 1.00 73.14 H new ATOM 0 HG2 LYS A 48 -12.450 14.899 -8.108 1.00 13.24 H new ATOM 0 HG3 LYS A 48 -10.879 15.550 -7.684 1.00 13.24 H new ATOM 0 HD2 LYS A 48 -11.867 16.852 -9.510 1.00 61.41 H new ATOM 0 HD3 LYS A 48 -10.412 16.045 -10.060 1.00 61.41 H new ATOM 0 HE2 LYS A 48 -12.190 15.864 -11.747 1.00 15.41 H new ATOM 0 HE3 LYS A 48 -11.755 14.279 -11.138 1.00 15.41 H new ATOM 0 HZ1 LYS A 48 -14.161 14.643 -11.340 1.00 13.31 H new ATOM 0 HZ2 LYS A 48 -13.686 14.251 -9.758 1.00 13.31 H new ATOM 0 HZ3 LYS A 48 -14.070 15.856 -10.156 1.00 13.31 H new ATOM 773 N GLN A 49 -11.243 10.528 -8.257 1.00 10.52 N ATOM 774 CA GLN A 49 -10.943 9.205 -8.721 1.00 61.22 C ATOM 775 C GLN A 49 -10.611 9.313 -10.193 1.00 14.42 C ATOM 776 O GLN A 49 -11.440 9.769 -10.986 1.00 45.42 O ATOM 777 CB GLN A 49 -12.156 8.248 -8.569 1.00 10.43 C ATOM 778 CG GLN A 49 -12.756 8.062 -7.168 1.00 72.41 C ATOM 779 CD GLN A 49 -13.432 9.300 -6.618 1.00 31.21 C ATOM 780 OE1 GLN A 49 -13.939 10.136 -7.375 1.00 3.12 O ATOM 781 NE2 GLN A 49 -13.500 9.403 -5.323 1.00 1.14 N ATOM 0 H GLN A 49 -12.239 10.745 -8.234 1.00 10.52 H new ATOM 0 HA GLN A 49 -10.119 8.802 -8.132 1.00 61.22 H new ATOM 0 HB2 GLN A 49 -12.948 8.606 -9.227 1.00 10.43 H new ATOM 0 HB3 GLN A 49 -11.855 7.267 -8.937 1.00 10.43 H new ATOM 0 HG2 GLN A 49 -13.481 7.248 -7.200 1.00 72.41 H new ATOM 0 HG3 GLN A 49 -11.965 7.758 -6.483 1.00 72.41 H new ATOM 0 HE21 GLN A 49 -13.069 8.693 -4.732 1.00 1.14 H new ATOM 0 HE22 GLN A 49 -13.984 10.194 -4.899 1.00 1.14 H new ATOM 790 N VAL A 50 -9.438 8.916 -10.558 1.00 13.11 N ATOM 791 CA VAL A 50 -8.983 9.014 -11.925 1.00 35.11 C ATOM 792 C VAL A 50 -8.363 7.705 -12.347 1.00 12.40 C ATOM 793 O VAL A 50 -8.001 6.899 -11.500 1.00 22.24 O ATOM 794 CB VAL A 50 -7.920 10.155 -12.100 1.00 21.32 C ATOM 795 CG1 VAL A 50 -8.509 11.520 -11.773 1.00 22.24 C ATOM 796 CG2 VAL A 50 -6.684 9.899 -11.235 1.00 63.01 C ATOM 0 H VAL A 50 -8.755 8.510 -9.919 1.00 13.11 H new ATOM 0 HA VAL A 50 -9.848 9.247 -12.546 1.00 35.11 H new ATOM 0 HB VAL A 50 -7.619 10.152 -13.147 1.00 21.32 H new ATOM 0 HG11 VAL A 50 -7.746 12.287 -11.905 1.00 22.24 H new ATOM 0 HG12 VAL A 50 -9.347 11.724 -12.440 1.00 22.24 H new ATOM 0 HG13 VAL A 50 -8.857 11.528 -10.740 1.00 22.24 H new ATOM 0 HG21 VAL A 50 -5.966 10.707 -11.378 1.00 63.01 H new ATOM 0 HG22 VAL A 50 -6.977 9.855 -10.186 1.00 63.01 H new ATOM 0 HG23 VAL A 50 -6.227 8.952 -11.524 1.00 63.01 H new ATOM 806 N TRP A 51 -8.271 7.474 -13.632 1.00 3.11 N ATOM 807 CA TRP A 51 -7.580 6.317 -14.132 1.00 12.11 C ATOM 808 C TRP A 51 -6.163 6.741 -14.463 1.00 61.32 C ATOM 809 O TRP A 51 -5.953 7.596 -15.331 1.00 52.01 O ATOM 810 CB TRP A 51 -8.240 5.760 -15.413 1.00 42.43 C ATOM 811 CG TRP A 51 -9.626 5.216 -15.279 1.00 63.14 C ATOM 812 CD1 TRP A 51 -10.725 5.693 -15.887 1.00 11.45 C ATOM 813 CD2 TRP A 51 -10.049 4.081 -14.511 1.00 15.10 C ATOM 814 NE1 TRP A 51 -11.822 4.938 -15.558 1.00 70.51 N ATOM 815 CE2 TRP A 51 -11.435 3.942 -14.711 1.00 43.14 C ATOM 816 CE3 TRP A 51 -9.397 3.170 -13.678 1.00 11.31 C ATOM 817 CZ2 TRP A 51 -12.182 2.933 -14.111 1.00 1.22 C ATOM 818 CZ3 TRP A 51 -10.142 2.168 -13.085 1.00 34.12 C ATOM 819 CH2 TRP A 51 -11.519 2.058 -13.304 1.00 4.33 C ATOM 0 H TRP A 51 -8.669 8.076 -14.353 1.00 3.11 H new ATOM 0 HA TRP A 51 -7.609 5.533 -13.375 1.00 12.11 H new ATOM 0 HB2 TRP A 51 -8.258 6.555 -16.158 1.00 42.43 H new ATOM 0 HB3 TRP A 51 -7.602 4.969 -15.807 1.00 42.43 H new ATOM 0 HD1 TRP A 51 -10.742 6.551 -16.543 1.00 11.45 H new ATOM 0 HE1 TRP A 51 -12.773 5.096 -15.893 1.00 70.51 H new ATOM 0 HE3 TRP A 51 -8.334 3.246 -13.501 1.00 11.31 H new ATOM 0 HZ2 TRP A 51 -13.245 2.847 -14.278 1.00 1.22 H new ATOM 0 HZ3 TRP A 51 -9.651 1.455 -12.439 1.00 34.12 H new ATOM 0 HH2 TRP A 51 -12.069 1.262 -12.823 1.00 4.33 H new ATOM 830 N GLU A 52 -5.214 6.203 -13.769 1.00 24.14 N ATOM 831 CA GLU A 52 -3.830 6.524 -14.023 1.00 73.13 C ATOM 832 C GLU A 52 -3.096 5.259 -14.396 1.00 31.02 C ATOM 833 O GLU A 52 -3.390 4.195 -13.856 1.00 34.34 O ATOM 834 CB GLU A 52 -3.181 7.171 -12.796 1.00 21.30 C ATOM 835 CG GLU A 52 -1.739 7.587 -13.030 1.00 13.15 C ATOM 836 CD GLU A 52 -1.082 8.149 -11.812 1.00 42.45 C ATOM 837 OE1 GLU A 52 -0.493 7.370 -11.035 1.00 34.22 O ATOM 838 OE2 GLU A 52 -1.104 9.388 -11.627 1.00 72.21 O ATOM 0 H GLU A 52 -5.364 5.533 -13.014 1.00 24.14 H new ATOM 0 HA GLU A 52 -3.775 7.240 -14.843 1.00 73.13 H new ATOM 0 HB2 GLU A 52 -3.762 8.046 -12.505 1.00 21.30 H new ATOM 0 HB3 GLU A 52 -3.219 6.471 -11.961 1.00 21.30 H new ATOM 0 HG2 GLU A 52 -1.170 6.724 -13.376 1.00 13.15 H new ATOM 0 HG3 GLU A 52 -1.707 8.330 -13.827 1.00 13.15 H new ATOM 845 N ALA A 53 -2.162 5.365 -15.313 1.00 31.54 N ATOM 846 CA ALA A 53 -1.398 4.224 -15.749 1.00 61.02 C ATOM 847 C ALA A 53 -0.549 3.692 -14.611 1.00 23.02 C ATOM 848 O ALA A 53 -0.052 4.467 -13.774 1.00 50.22 O ATOM 849 CB ALA A 53 -0.529 4.580 -16.948 1.00 35.35 C ATOM 0 H ALA A 53 -1.913 6.240 -15.774 1.00 31.54 H new ATOM 0 HA ALA A 53 -2.093 3.443 -16.057 1.00 61.02 H new ATOM 0 HB1 ALA A 53 0.038 3.703 -17.259 1.00 35.35 H new ATOM 0 HB2 ALA A 53 -1.162 4.913 -17.770 1.00 35.35 H new ATOM 0 HB3 ALA A 53 0.160 5.379 -16.674 1.00 35.35 H new ATOM 855 N ALA A 54 -0.418 2.383 -14.566 1.00 22.11 N ATOM 856 CA ALA A 54 0.366 1.694 -13.565 1.00 5.53 C ATOM 857 C ALA A 54 1.818 2.150 -13.588 1.00 72.11 C ATOM 858 O ALA A 54 2.264 2.841 -14.513 1.00 41.40 O ATOM 859 CB ALA A 54 0.277 0.200 -13.777 1.00 54.55 C ATOM 0 H ALA A 54 -0.862 1.757 -15.237 1.00 22.11 H new ATOM 0 HA ALA A 54 -0.042 1.940 -12.585 1.00 5.53 H new ATOM 0 HB1 ALA A 54 0.870 -0.311 -13.019 1.00 54.55 H new ATOM 0 HB2 ALA A 54 -0.763 -0.117 -13.699 1.00 54.55 H new ATOM 0 HB3 ALA A 54 0.659 -0.050 -14.767 1.00 54.55 H new ATOM 865 N SER A 55 2.560 1.742 -12.612 1.00 71.42 N ATOM 866 CA SER A 55 3.888 2.195 -12.482 1.00 14.43 C ATOM 867 C SER A 55 4.815 1.090 -12.866 1.00 20.15 C ATOM 868 O SER A 55 4.520 -0.074 -12.615 1.00 75.35 O ATOM 869 CB SER A 55 4.129 2.618 -11.040 1.00 44.00 C ATOM 870 OG SER A 55 3.169 3.579 -10.642 1.00 51.14 O ATOM 0 H SER A 55 2.257 1.088 -11.890 1.00 71.42 H new ATOM 0 HA SER A 55 4.066 3.050 -13.134 1.00 14.43 H new ATOM 0 HB2 SER A 55 4.076 1.748 -10.385 1.00 44.00 H new ATOM 0 HB3 SER A 55 5.132 3.033 -10.938 1.00 44.00 H new ATOM 0 HG SER A 55 3.334 3.841 -9.712 1.00 51.14 H new ATOM 876 N LYS A 56 5.911 1.452 -13.475 1.00 2.21 N ATOM 877 CA LYS A 56 6.935 0.517 -13.891 1.00 0.32 C ATOM 878 C LYS A 56 7.362 -0.416 -12.755 1.00 40.43 C ATOM 879 O LYS A 56 7.411 -1.613 -12.937 1.00 23.33 O ATOM 880 CB LYS A 56 8.153 1.241 -14.545 1.00 22.10 C ATOM 881 CG LYS A 56 8.893 2.307 -13.686 1.00 51.33 C ATOM 882 CD LYS A 56 8.045 3.549 -13.356 1.00 61.11 C ATOM 883 CE LYS A 56 7.594 4.299 -14.609 1.00 32.54 C ATOM 884 NZ LYS A 56 6.735 5.470 -14.283 1.00 0.24 N ATOM 0 H LYS A 56 6.127 2.422 -13.703 1.00 2.21 H new ATOM 0 HA LYS A 56 6.491 -0.114 -14.661 1.00 0.32 H new ATOM 0 HB2 LYS A 56 8.878 0.482 -14.840 1.00 22.10 H new ATOM 0 HB3 LYS A 56 7.808 1.724 -15.459 1.00 22.10 H new ATOM 0 HG2 LYS A 56 9.218 1.845 -12.754 1.00 51.33 H new ATOM 0 HG3 LYS A 56 9.792 2.624 -14.215 1.00 51.33 H new ATOM 0 HD2 LYS A 56 7.169 3.245 -12.783 1.00 61.11 H new ATOM 0 HD3 LYS A 56 8.623 4.222 -12.722 1.00 61.11 H new ATOM 0 HE2 LYS A 56 8.470 4.636 -15.164 1.00 32.54 H new ATOM 0 HE3 LYS A 56 7.046 3.618 -15.261 1.00 32.54 H new ATOM 0 HZ1 LYS A 56 6.452 5.949 -15.162 1.00 0.24 H new ATOM 0 HZ2 LYS A 56 5.886 5.147 -13.776 1.00 0.24 H new ATOM 0 HZ3 LYS A 56 7.265 6.133 -13.683 1.00 0.24 H new ATOM 898 N THR A 57 7.599 0.135 -11.584 1.00 11.44 N ATOM 899 CA THR A 57 7.993 -0.652 -10.434 1.00 42.44 C ATOM 900 C THR A 57 6.833 -1.519 -9.910 1.00 61.31 C ATOM 901 O THR A 57 7.036 -2.673 -9.499 1.00 10.04 O ATOM 902 CB THR A 57 8.515 0.271 -9.334 1.00 0.00 C ATOM 903 OG1 THR A 57 7.590 1.361 -9.178 1.00 45.31 O ATOM 904 CG2 THR A 57 9.893 0.811 -9.688 1.00 24.05 C ATOM 0 H THR A 57 7.525 1.136 -11.402 1.00 11.44 H new ATOM 0 HA THR A 57 8.787 -1.331 -10.743 1.00 42.44 H new ATOM 0 HB THR A 57 8.602 -0.290 -8.403 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.909 1.963 -8.474 1.00 45.31 H new ATOM 0 HG21 THR A 57 10.243 1.465 -8.890 1.00 24.05 H new ATOM 0 HG22 THR A 57 10.589 -0.019 -9.809 1.00 24.05 H new ATOM 0 HG23 THR A 57 9.835 1.374 -10.620 1.00 24.05 H new ATOM 912 N ALA A 58 5.624 -0.967 -9.955 1.00 54.31 N ATOM 913 CA ALA A 58 4.426 -1.668 -9.505 1.00 42.31 C ATOM 914 C ALA A 58 4.117 -2.845 -10.424 1.00 23.40 C ATOM 915 O ALA A 58 3.725 -3.910 -9.963 1.00 43.21 O ATOM 916 CB ALA A 58 3.240 -0.718 -9.427 1.00 71.41 C ATOM 0 H ALA A 58 5.448 -0.025 -10.303 1.00 54.31 H new ATOM 0 HA ALA A 58 4.614 -2.056 -8.504 1.00 42.31 H new ATOM 0 HB1 ALA A 58 2.359 -1.263 -9.089 1.00 71.41 H new ATOM 0 HB2 ALA A 58 3.462 0.084 -8.723 1.00 71.41 H new ATOM 0 HB3 ALA A 58 3.048 -0.293 -10.412 1.00 71.41 H new ATOM 922 N LEU A 59 4.319 -2.643 -11.723 1.00 41.14 N ATOM 923 CA LEU A 59 4.142 -3.689 -12.712 1.00 54.14 C ATOM 924 C LEU A 59 5.112 -4.848 -12.430 1.00 71.32 C ATOM 925 O LEU A 59 4.763 -6.010 -12.562 1.00 71.21 O ATOM 926 CB LEU A 59 4.350 -3.122 -14.128 1.00 32.45 C ATOM 927 CG LEU A 59 3.308 -2.125 -14.656 1.00 33.40 C ATOM 928 CD1 LEU A 59 3.839 -1.441 -15.907 1.00 3.25 C ATOM 929 CD2 LEU A 59 2.034 -2.856 -15.020 1.00 32.23 C ATOM 0 H LEU A 59 4.610 -1.747 -12.115 1.00 41.14 H new ATOM 0 HA LEU A 59 3.124 -4.074 -12.650 1.00 54.14 H new ATOM 0 HB2 LEU A 59 5.325 -2.635 -14.155 1.00 32.45 H new ATOM 0 HB3 LEU A 59 4.394 -3.961 -14.822 1.00 32.45 H new ATOM 0 HG LEU A 59 3.107 -1.387 -13.879 1.00 33.40 H new ATOM 0 HD11 LEU A 59 3.097 -0.735 -16.278 1.00 3.25 H new ATOM 0 HD12 LEU A 59 4.759 -0.908 -15.668 1.00 3.25 H new ATOM 0 HD13 LEU A 59 4.042 -2.190 -16.673 1.00 3.25 H new ATOM 0 HD21 LEU A 59 1.299 -2.143 -15.394 1.00 32.23 H new ATOM 0 HD22 LEU A 59 2.247 -3.596 -15.792 1.00 32.23 H new ATOM 0 HD23 LEU A 59 1.637 -3.357 -14.137 1.00 32.23 H new ATOM 941 N LYS A 60 6.323 -4.523 -12.013 1.00 14.42 N ATOM 942 CA LYS A 60 7.272 -5.561 -11.620 1.00 5.44 C ATOM 943 C LYS A 60 6.791 -6.324 -10.393 1.00 32.22 C ATOM 944 O LYS A 60 7.075 -7.512 -10.249 1.00 3.15 O ATOM 945 CB LYS A 60 8.709 -5.035 -11.437 1.00 32.11 C ATOM 946 CG LYS A 60 9.531 -4.910 -12.721 1.00 31.52 C ATOM 947 CD LYS A 60 8.903 -4.001 -13.747 1.00 52.41 C ATOM 948 CE LYS A 60 9.770 -3.879 -14.974 1.00 71.53 C ATOM 949 NZ LYS A 60 9.169 -2.986 -15.989 1.00 10.00 N ATOM 0 H LYS A 60 6.672 -3.568 -11.937 1.00 14.42 H new ATOM 0 HA LYS A 60 7.314 -6.262 -12.454 1.00 5.44 H new ATOM 0 HB2 LYS A 60 8.661 -4.056 -10.960 1.00 32.11 H new ATOM 0 HB3 LYS A 60 9.236 -5.699 -10.752 1.00 32.11 H new ATOM 0 HG2 LYS A 60 10.524 -4.535 -12.473 1.00 31.52 H new ATOM 0 HG3 LYS A 60 9.664 -5.900 -13.156 1.00 31.52 H new ATOM 0 HD2 LYS A 60 7.924 -4.388 -14.028 1.00 52.41 H new ATOM 0 HD3 LYS A 60 8.743 -3.014 -13.312 1.00 52.41 H new ATOM 0 HE2 LYS A 60 10.750 -3.497 -14.689 1.00 71.53 H new ATOM 0 HE3 LYS A 60 9.927 -4.867 -15.407 1.00 71.53 H new ATOM 0 HZ1 LYS A 60 9.796 -2.929 -16.817 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 8.245 -3.364 -16.280 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 9.043 -2.036 -15.585 1.00 10.00 H new ATOM 963 N LYS A 61 6.043 -5.654 -9.520 1.00 10.23 N ATOM 964 CA LYS A 61 5.498 -6.309 -8.348 1.00 71.13 C ATOM 965 C LYS A 61 4.402 -7.283 -8.733 1.00 54.21 C ATOM 966 O LYS A 61 4.428 -8.440 -8.308 1.00 10.11 O ATOM 967 CB LYS A 61 4.954 -5.314 -7.330 1.00 12.32 C ATOM 968 CG LYS A 61 5.986 -4.372 -6.740 1.00 41.02 C ATOM 969 CD LYS A 61 5.368 -3.483 -5.664 1.00 51.52 C ATOM 970 CE LYS A 61 4.798 -4.324 -4.517 1.00 2.11 C ATOM 971 NZ LYS A 61 4.244 -3.508 -3.424 1.00 25.13 N ATOM 0 H LYS A 61 5.805 -4.666 -9.606 1.00 10.23 H new ATOM 0 HA LYS A 61 6.323 -6.851 -7.885 1.00 71.13 H new ATOM 0 HB2 LYS A 61 4.173 -4.721 -7.806 1.00 12.32 H new ATOM 0 HB3 LYS A 61 4.484 -5.868 -6.518 1.00 12.32 H new ATOM 0 HG2 LYS A 61 6.807 -4.948 -6.313 1.00 41.02 H new ATOM 0 HG3 LYS A 61 6.410 -3.751 -7.530 1.00 41.02 H new ATOM 0 HD2 LYS A 61 6.122 -2.797 -5.277 1.00 51.52 H new ATOM 0 HD3 LYS A 61 4.577 -2.874 -6.101 1.00 51.52 H new ATOM 0 HE2 LYS A 61 4.017 -4.978 -4.906 1.00 2.11 H new ATOM 0 HE3 LYS A 61 5.584 -4.967 -4.120 1.00 2.11 H new ATOM 0 HZ1 LYS A 61 3.874 -4.132 -2.678 1.00 25.13 H new ATOM 0 HZ2 LYS A 61 4.992 -2.902 -3.029 1.00 25.13 H new ATOM 0 HZ3 LYS A 61 3.474 -2.913 -3.791 1.00 25.13 H new ATOM 985 N SER A 62 3.468 -6.830 -9.563 1.00 43.03 N ATOM 986 CA SER A 62 2.361 -7.650 -10.000 1.00 72.44 C ATOM 987 C SER A 62 2.854 -8.857 -10.800 1.00 12.11 C ATOM 988 O SER A 62 2.342 -9.966 -10.652 1.00 32.04 O ATOM 989 CB SER A 62 1.381 -6.789 -10.813 1.00 34.35 C ATOM 990 OG SER A 62 2.049 -6.053 -11.821 1.00 20.52 O ATOM 0 H SER A 62 3.464 -5.885 -9.947 1.00 43.03 H new ATOM 0 HA SER A 62 1.837 -8.043 -9.129 1.00 72.44 H new ATOM 0 HB2 SER A 62 0.625 -7.429 -11.269 1.00 34.35 H new ATOM 0 HB3 SER A 62 0.858 -6.103 -10.146 1.00 34.35 H new ATOM 0 HG SER A 62 2.356 -6.664 -12.523 1.00 20.52 H new ATOM 996 N TRP A 63 3.886 -8.646 -11.599 1.00 71.12 N ATOM 997 CA TRP A 63 4.426 -9.689 -12.417 1.00 33.42 C ATOM 998 C TRP A 63 5.241 -10.670 -11.575 1.00 4.21 C ATOM 999 O TRP A 63 5.254 -11.857 -11.850 1.00 12.11 O ATOM 1000 CB TRP A 63 5.278 -9.083 -13.525 1.00 73.33 C ATOM 1001 CG TRP A 63 5.773 -10.074 -14.508 1.00 40.23 C ATOM 1002 CD1 TRP A 63 6.994 -10.641 -14.531 1.00 41.13 C ATOM 1003 CD2 TRP A 63 5.045 -10.620 -15.611 1.00 12.12 C ATOM 1004 NE1 TRP A 63 7.089 -11.505 -15.594 1.00 12.21 N ATOM 1005 CE2 TRP A 63 5.898 -11.513 -16.269 1.00 21.23 C ATOM 1006 CE3 TRP A 63 3.750 -10.436 -16.107 1.00 53.04 C ATOM 1007 CZ2 TRP A 63 5.504 -12.224 -17.400 1.00 64.45 C ATOM 1008 CZ3 TRP A 63 3.360 -11.140 -17.224 1.00 53.22 C ATOM 1009 CH2 TRP A 63 4.232 -12.025 -17.860 1.00 50.53 C ATOM 0 H TRP A 63 4.362 -7.749 -11.690 1.00 71.12 H new ATOM 0 HA TRP A 63 3.605 -10.245 -12.870 1.00 33.42 H new ATOM 0 HB2 TRP A 63 4.693 -8.327 -14.048 1.00 73.33 H new ATOM 0 HB3 TRP A 63 6.130 -8.572 -13.077 1.00 73.33 H new ATOM 0 HD1 TRP A 63 7.782 -10.445 -13.819 1.00 41.13 H new ATOM 0 HE1 TRP A 63 7.914 -12.052 -15.841 1.00 12.21 H new ATOM 0 HE3 TRP A 63 3.068 -9.753 -15.622 1.00 53.04 H new ATOM 0 HZ2 TRP A 63 6.178 -12.907 -17.895 1.00 64.45 H new ATOM 0 HZ3 TRP A 63 2.362 -11.005 -17.615 1.00 53.22 H new ATOM 0 HH2 TRP A 63 3.895 -12.564 -18.733 1.00 50.53 H new ATOM 1020 N LYS A 64 5.893 -10.166 -10.535 1.00 43.45 N ATOM 1021 CA LYS A 64 6.719 -10.999 -9.661 1.00 51.42 C ATOM 1022 C LYS A 64 5.885 -12.094 -9.010 1.00 51.31 C ATOM 1023 O LYS A 64 6.288 -13.254 -8.967 1.00 4.21 O ATOM 1024 CB LYS A 64 7.409 -10.149 -8.597 1.00 34.31 C ATOM 1025 CG LYS A 64 8.350 -10.930 -7.703 1.00 70.14 C ATOM 1026 CD LYS A 64 9.030 -10.029 -6.703 1.00 31.42 C ATOM 1027 CE LYS A 64 9.993 -10.812 -5.838 1.00 42.33 C ATOM 1028 NZ LYS A 64 10.661 -9.967 -4.840 1.00 22.10 N ATOM 0 H LYS A 64 5.867 -9.181 -10.273 1.00 43.45 H new ATOM 0 HA LYS A 64 7.487 -11.472 -10.274 1.00 51.42 H new ATOM 0 HB2 LYS A 64 7.968 -9.352 -9.088 1.00 34.31 H new ATOM 0 HB3 LYS A 64 6.649 -9.671 -7.979 1.00 34.31 H new ATOM 0 HG2 LYS A 64 7.795 -11.707 -7.177 1.00 70.14 H new ATOM 0 HG3 LYS A 64 9.101 -11.432 -8.313 1.00 70.14 H new ATOM 0 HD2 LYS A 64 9.566 -9.237 -7.226 1.00 31.42 H new ATOM 0 HD3 LYS A 64 8.282 -9.546 -6.075 1.00 31.42 H new ATOM 0 HE2 LYS A 64 9.454 -11.612 -5.331 1.00 42.33 H new ATOM 0 HE3 LYS A 64 10.744 -11.285 -6.471 1.00 42.33 H new ATOM 0 HZ1 LYS A 64 11.310 -10.548 -4.272 1.00 22.10 H new ATOM 0 HZ2 LYS A 64 11.198 -9.218 -5.323 1.00 22.10 H new ATOM 0 HZ3 LYS A 64 9.948 -9.535 -4.218 1.00 22.10 H new ATOM 1042 N ARG A 65 4.710 -11.724 -8.528 1.00 63.32 N ATOM 1043 CA ARG A 65 3.811 -12.684 -7.922 1.00 53.41 C ATOM 1044 C ARG A 65 3.201 -13.589 -9.004 1.00 64.23 C ATOM 1045 O ARG A 65 2.883 -14.744 -8.757 1.00 33.03 O ATOM 1046 CB ARG A 65 2.690 -11.995 -7.112 1.00 62.14 C ATOM 1047 CG ARG A 65 3.063 -11.350 -5.768 1.00 73.11 C ATOM 1048 CD ARG A 65 4.030 -10.195 -5.900 1.00 10.41 C ATOM 1049 NE ARG A 65 4.233 -9.515 -4.621 1.00 52.34 N ATOM 1050 CZ ARG A 65 5.141 -8.568 -4.374 1.00 14.10 C ATOM 1051 NH1 ARG A 65 6.004 -8.199 -5.319 1.00 75.33 N ATOM 1052 NH2 ARG A 65 5.180 -7.990 -3.175 1.00 2.42 N ATOM 0 H ARG A 65 4.359 -10.766 -8.546 1.00 63.32 H new ATOM 0 HA ARG A 65 4.394 -13.288 -7.227 1.00 53.41 H new ATOM 0 HB2 ARG A 65 2.249 -11.223 -7.742 1.00 62.14 H new ATOM 0 HB3 ARG A 65 1.912 -12.734 -6.923 1.00 62.14 H new ATOM 0 HG2 ARG A 65 2.155 -10.999 -5.278 1.00 73.11 H new ATOM 0 HG3 ARG A 65 3.502 -12.108 -5.120 1.00 73.11 H new ATOM 0 HD2 ARG A 65 4.986 -10.561 -6.274 1.00 10.41 H new ATOM 0 HD3 ARG A 65 3.651 -9.484 -6.635 1.00 10.41 H new ATOM 0 HE ARG A 65 3.626 -9.789 -3.848 1.00 52.34 H new ATOM 0 HH11 ARG A 65 5.974 -8.641 -6.238 1.00 75.33 H new ATOM 0 HH12 ARG A 65 6.695 -7.475 -5.124 1.00 75.33 H new ATOM 0 HH21 ARG A 65 4.518 -8.271 -2.451 1.00 2.42 H new ATOM 0 HH22 ARG A 65 5.871 -7.266 -2.980 1.00 2.42 H new ATOM 1066 N TYR A 66 3.071 -13.046 -10.204 1.00 44.34 N ATOM 1067 CA TYR A 66 2.498 -13.767 -11.332 1.00 65.12 C ATOM 1068 C TYR A 66 3.416 -14.925 -11.745 1.00 4.22 C ATOM 1069 O TYR A 66 2.945 -16.026 -12.075 1.00 60.22 O ATOM 1070 CB TYR A 66 2.250 -12.794 -12.491 1.00 23.40 C ATOM 1071 CG TYR A 66 1.569 -13.398 -13.678 1.00 41.25 C ATOM 1072 CD1 TYR A 66 0.273 -13.841 -13.584 1.00 32.13 C ATOM 1073 CD2 TYR A 66 2.213 -13.504 -14.895 1.00 11.42 C ATOM 1074 CE1 TYR A 66 -0.371 -14.386 -14.665 1.00 53.35 C ATOM 1075 CE2 TYR A 66 1.572 -14.049 -15.987 1.00 31.30 C ATOM 1076 CZ TYR A 66 0.276 -14.489 -15.859 1.00 71.44 C ATOM 1077 OH TYR A 66 -0.366 -15.048 -16.924 1.00 5.13 O ATOM 0 H TYR A 66 3.359 -12.093 -10.425 1.00 44.34 H new ATOM 0 HA TYR A 66 1.540 -14.200 -11.043 1.00 65.12 H new ATOM 0 HB2 TYR A 66 1.647 -11.963 -12.127 1.00 23.40 H new ATOM 0 HB3 TYR A 66 3.206 -12.378 -12.810 1.00 23.40 H new ATOM 0 HD1 TYR A 66 -0.249 -13.759 -12.642 1.00 32.13 H new ATOM 0 HD2 TYR A 66 3.231 -13.156 -14.992 1.00 11.42 H new ATOM 0 HE1 TYR A 66 -1.389 -14.733 -14.570 1.00 53.35 H new ATOM 0 HE2 TYR A 66 2.084 -14.130 -16.935 1.00 31.30 H new ATOM 0 HH TYR A 66 -1.329 -14.883 -16.849 1.00 5.13 H new ATOM 1087 N GLU A 67 4.725 -14.672 -11.707 1.00 54.32 N ATOM 1088 CA GLU A 67 5.742 -15.707 -11.942 1.00 21.20 C ATOM 1089 C GLU A 67 5.531 -16.805 -10.963 1.00 71.23 C ATOM 1090 O GLU A 67 5.521 -17.966 -11.318 1.00 75.40 O ATOM 1091 CB GLU A 67 7.138 -15.120 -11.725 1.00 22.54 C ATOM 1092 CG GLU A 67 7.463 -13.951 -12.618 1.00 14.41 C ATOM 1093 CD GLU A 67 7.729 -14.333 -14.066 1.00 23.12 C ATOM 1094 OE1 GLU A 67 6.905 -15.016 -14.696 1.00 64.34 O ATOM 1095 OE2 GLU A 67 8.789 -13.929 -14.603 1.00 64.20 O ATOM 0 H GLU A 67 5.113 -13.749 -11.514 1.00 54.32 H new ATOM 0 HA GLU A 67 5.658 -16.078 -12.963 1.00 21.20 H new ATOM 0 HB2 GLU A 67 7.230 -14.805 -10.686 1.00 22.54 H new ATOM 0 HB3 GLU A 67 7.878 -15.903 -11.887 1.00 22.54 H new ATOM 0 HG2 GLU A 67 6.636 -13.242 -12.586 1.00 14.41 H new ATOM 0 HG3 GLU A 67 8.339 -13.437 -12.222 1.00 14.41 H new ATOM 1102 N GLN A 68 5.314 -16.412 -9.740 1.00 24.42 N ATOM 1103 CA GLN A 68 5.129 -17.332 -8.639 1.00 75.31 C ATOM 1104 C GLN A 68 3.960 -18.303 -8.855 1.00 24.34 C ATOM 1105 O GLN A 68 4.144 -19.517 -8.707 1.00 4.25 O ATOM 1106 CB GLN A 68 5.020 -16.586 -7.318 1.00 43.51 C ATOM 1107 CG GLN A 68 6.264 -15.776 -7.012 1.00 21.30 C ATOM 1108 CD GLN A 68 6.187 -15.002 -5.720 1.00 72.40 C ATOM 1109 OE1 GLN A 68 5.113 -14.589 -5.286 1.00 31.12 O ATOM 1110 NE2 GLN A 68 7.322 -14.786 -5.109 1.00 42.25 N ATOM 0 H GLN A 68 5.259 -15.430 -9.469 1.00 24.42 H new ATOM 0 HA GLN A 68 6.021 -17.957 -8.597 1.00 75.31 H new ATOM 0 HB2 GLN A 68 4.155 -15.923 -7.348 1.00 43.51 H new ATOM 0 HB3 GLN A 68 4.847 -17.300 -6.513 1.00 43.51 H new ATOM 0 HG2 GLN A 68 7.122 -16.447 -6.971 1.00 21.30 H new ATOM 0 HG3 GLN A 68 6.443 -15.080 -7.831 1.00 21.30 H new ATOM 0 HE21 GLN A 68 8.191 -15.147 -5.504 1.00 42.25 H new ATOM 0 HE22 GLN A 68 7.339 -14.257 -4.237 1.00 42.25 H new ATOM 1119 N GLU A 69 2.773 -17.810 -9.241 1.00 61.10 N ATOM 1120 CA GLU A 69 1.666 -18.742 -9.443 1.00 12.02 C ATOM 1121 C GLU A 69 1.862 -19.624 -10.657 1.00 33.25 C ATOM 1122 O GLU A 69 1.440 -20.775 -10.654 1.00 24.51 O ATOM 1123 CB GLU A 69 0.260 -18.129 -9.432 1.00 5.54 C ATOM 1124 CG GLU A 69 -0.093 -17.166 -10.545 1.00 11.31 C ATOM 1125 CD GLU A 69 -1.582 -16.875 -10.533 1.00 25.41 C ATOM 1126 OE1 GLU A 69 -2.058 -16.173 -9.622 1.00 43.22 O ATOM 1127 OE2 GLU A 69 -2.298 -17.370 -11.401 1.00 31.53 O ATOM 0 H GLU A 69 2.565 -16.826 -9.411 1.00 61.10 H new ATOM 0 HA GLU A 69 1.706 -19.362 -8.547 1.00 12.02 H new ATOM 0 HB2 GLU A 69 -0.462 -18.945 -9.452 1.00 5.54 H new ATOM 0 HB3 GLU A 69 0.128 -17.609 -8.483 1.00 5.54 H new ATOM 0 HG2 GLU A 69 0.467 -16.239 -10.425 1.00 11.31 H new ATOM 0 HG3 GLU A 69 0.194 -17.590 -11.507 1.00 11.31 H new